A0A096MQN8_PAPAN Loading...

poly(A)-specific ribonuclease

AlphaFold DB (Q96LI5), UniProt , Accession A0A096MQN8, Species PAPAN (Papio anubis, Olive baboon), Gene CNOT6L, Length 555 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	38	Very low	237 Å²	237	167.8 Å²	167.8	100%	1.167	82%	0.818	S	S	*	*				0	93.5	0	-130.4	174.9	-175.1	0	0	108.4
2	R	32.3	Very low	39.3	Very low	239 Å²	239	164.8 Å²	164.8	90%	0.902	81%	0.808	S	S	*	*			trans	-129.4	98	162.6	-82.5	-171.7	-178.7	-173.1	0.9	104.4	I4	R2-I4 VanDerWaalsContact C-N 3.25Å; R2-I4 PolarHBondContact O-N 3.36Å
3	L	37.5	Very low	40.1	Very low	171 Å²	171	155.2 Å²	155.2	90%	0.895	77%	0.766	S	S	*	*			trans	-61.6	100.3	164.4	-81.8	158.6	0	0	0	105.3	G5	L3-G5 PolarHBondContact O-N 2.91Å
4	I	37.2	Very low	41.1	Very low	160 Å²	160	149.2 Å²	149.2	82%	0.821	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-53.6	122.6	170.2	-65.8	169.9	0	0	0	105.3	R2 M6	R2-I4 VanDerWaalsContact C-N 3.25Å; R2-I4 PolarHBondContact O-N 3.36Å; I4-M6 PolarHBondContact O-N 3.09Å
5	G	35.2	Very low	42.1	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-48.1	124.6	-169.4	0	0	0	0	0	111.2	L3	L3-G5 PolarHBondContact O-N 2.91Å
6	M	31.5	Very low	43.1	Very low	179 Å²	179	140 Å²	140	88%	0.882	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-54	128.7	165.3	-77.9	-171.4	176.7	0	0	107.3	I4 K8	I4-M6 PolarHBondContact O-N 3.09Å; M6-K8 PolarHBondContact O-N 3.41Å
7	P	37.5	Very low	44	Very low	103 Å²	103	144.1 Å²	144.1	67%	0.669	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-54.6	127.6	177.7	-21.1	31.2	0	0	0	108.6	E9	P7-E9 HydrophobicContact CB-CG 4.01Å; P7-E9 PolarHBondContact O-N 3.06Å
8	K	39	Very low	44.7	Very low	211 Å²	211	141.5 Å²	141.5	92%	0.917	70%	0.696	S	S	*	*			trans	-70.3	67.2	158.4	-72.8	-173.8	176.5	-177.5	0	107.1	M6 K10	M6-K8 PolarHBondContact O-N 3.41Å; K8-K10 VanDerWaalsContact C-N 3.32Å; K8-K10 PolarHBondContact O-N 3.49Å
9	E	44.1	Very low	45.6	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	71%	0.705	S	S	*	*			trans	-65.5	101.8	165	-85.8	178.5	-173.2	0	0	105.8	P7 Y11	P7-E9 HydrophobicContact CB-CG 4.01Å; P7-E9 PolarHBondContact O-N 3.06Å; E9-Y11 PolarHBondContact O-N 2.79Å
10	K	42.4	Very low	46.2	Very low	185 Å²	185	141.1 Å²	141.1	80%	0.804	69%	0.69	S	S	*	*			trans	-58.3	98.6	154.4	-84.3	-175.3	172.6	-174.4	0	105.4	K8 D12	K8-K10 VanDerWaalsContact C-N 3.32Å; K8-K10 PolarHBondContact O-N 3.49Å; K10-D12 PolarHBondContact O-N 2.91Å; K10-D12 VanDerWaalsContact O-N 3.15Å
11	Y	48.2	Very low	47.1	Very low	141 Å²	141	140.4 Å²	140.4	55%	0.553	70%	0.695	S	S	*	*			trans	-76.2	95.6	170.9	-170.5	-93	0	0	0	106.6	E9 Y20	E9-Y11 PolarHBondContact O-N 2.79Å; Y11-Y20 WeakPolarHBondContact O-CE1 3.3Å; Y11-Y20 VanDerWaalsContact O-CZ 3.27Å; Y11-Y20 PolarHBondContact O-OH 2.73Å
12	D	53.5	Low	48.7	Very low	132 Å²	132	135.3 Å²	135.3	71%	0.706	67%	0.671	S	S	*	*			trans	-60.2	124.9	172.8	-73.3	-34.4	0	0	0	107.8	K10	K10-D12 PolarHBondContact O-N 2.91Å; K10-D12 VanDerWaalsContact O-N 3.15Å
13	P	49	Very low	50.6	Low	40 Å²	40	126.1 Å²	126.1	26%	0.26	64%	0.639	S	S	.	*			trans	-65.6	143.7	-174.7	23.9	-24.8	0	0	0	109.7	D15 Y20	P13-D15 PolarHBondContact O-N 2.85Å; P13-Y20 HydrophobicContact CB-CD1 3.93Å; P13-Y20 HydrophobicContact CB-CE1 3.75Å; P13-Y20 HydrophobicContact CG-CD1 4.16Å; P13-Y20 HydrophobicContact CG-CE1 3.72Å
14	P	54.7	Low	52.6	Low	71 Å²	71	120.4 Å²	120.4	46%	0.461	61%	0.613	S	S	.	*	S	Bend	trans	-60	-28.4	176.5	22.5	-32.8	0	0	0	112.9	E40	P14-E40 WeakPolarHBondContact CG-OE1 3.43Å; P14-E40 WeakPolarHBondContact CG-OE2 3.29Å
15	D	56.8	Low	54.8	Low	31 Å²	31	117 Å²	117	17%	0.166	61%	0.609	C	S	.	*	S	Bend	trans	-109.6	112.6	168	-169.3	-17.9	0	0	0	111.1	P13 R17 R18	P13-D15 PolarHBondContact O-N 2.85Å; D15-R17 PolarHBondContact O-N 3.41Å; D15-R17 VanDerWaalsContact O-N 3.09Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.46Å; D15-R17 WeakPolarHBondContact OD1-CG 3.29Å; D15-R17 IonicContact OD1-CZ 3.39Å; D15-R17 PolarHBondContact OD1-N 3.42Å; D15-R17 IonicContact OD1-NE 2.69Å; D15-R17 PolarHBondContact OD1-NE 3.1Å; D15-R17 IonicContact OD1-NH2 2.7Å; D15-R17 IonicContact OD2-CZ 3.72Å; D15-R17 IonicContact OD2-NE 2.64Å; D15-R17 PolarHBondContact OD2-NE 3.24Å; D15-R17 IonicContact OD2-NH2 3.89Å; D15-R17 PolarHBondContact OD2-NH2 3.21Å; D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 3.27Å
16	P	57	Low	57.2	Low	120 Å²	120	121.1 Å²	121.1	78%	0.779	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-9.1	178.9	26.2	-33	0	0	0	114.1	R18	P16-R18 VanDerWaalsContact C-N 3.35Å
17	R	58	Low	59.6	Low	210 Å²	210	115.2 Å²	115.2	79%	0.792	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-9.2	176.6	-59.4	173.1	-65	171.5	4.8	113.3	D15	D15-R17 PolarHBondContact O-N 3.41Å; D15-R17 VanDerWaalsContact O-N 3.09Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.46Å; D15-R17 WeakPolarHBondContact OD1-CG 3.29Å; D15-R17 IonicContact OD1-CZ 3.39Å; D15-R17 PolarHBondContact OD1-N 3.42Å; D15-R17 IonicContact OD1-NE 2.69Å; D15-R17 PolarHBondContact OD1-NE 3.1Å; D15-R17 IonicContact OD1-NH2 2.7Å; D15-R17 IonicContact OD2-CZ 3.72Å; D15-R17 IonicContact OD2-NE 2.64Å; D15-R17 PolarHBondContact OD2-NE 3.24Å; D15-R17 IonicContact OD2-NH2 3.89Å; D15-R17 PolarHBondContact OD2-NH2 3.21Å
18	R	58.3	Low	61.6	Low	97 Å²	97	114.7 Å²	114.7	37%	0.366	58%	0.576	S	S	.	*			trans	-108	131	-175.2	-70.6	-179.9	170.5	-127	-6.3	111.6	D15 P16 E38 H62	D15-R18 HydrophobicContact CB-CG 4.46Å; D15-R18 PolarHBondContact O-N 3.27Å; P16-R18 VanDerWaalsContact C-N 3.35Å; R18-E38 IonicContact CZ-OE2 2.96Å; R18-E38 IonicContact NH1-OE2 3.88Å; R18-E38 PolarHBondContact NH1-OE2 3.41Å; R18-H62 VanDerWaalsContact CZ-CE1 3.48Å; R18-H62 PolarHBondContact NH1-NE2 3.01Å; R18-H62 PolarHBondContact NH2-CE1 3.41Å; R18-H62 PolarHBondContact NH2-NE2 2.85Å; R18-H62 VanDerWaalsContact NH2-NE2 3.17Å
19	I	60.7	Low	63.8	Low	169 Å²	169	108.6 Å²	108.6	87%	0.867	57%	0.565	S	S	*	*			trans	-98.3	123.4	176.6	-55.7	172.7	0	0	0	108
20	Y	58	Low	66	Low	105 Å²	105	107.8 Å²	107.8	41%	0.412	57%	0.566	S	S	.	*			trans	-104.1	148	172.4	57.4	-102.1	0	0	0	110.9	Y11 P13 I22	Y11-Y20 WeakPolarHBondContact O-CE1 3.3Å; Y11-Y20 VanDerWaalsContact O-CZ 3.27Å; Y11-Y20 PolarHBondContact O-OH 2.73Å; P13-Y20 HydrophobicContact CB-CD1 3.93Å; P13-Y20 HydrophobicContact CB-CE1 3.75Å; P13-Y20 HydrophobicContact CG-CD1 4.16Å; P13-Y20 HydrophobicContact CG-CE1 3.72Å; Y20-I22 HydrophobicContact CD2-CD1 4.04Å; Y20-I22 HydrophobicContact CD2-CG1 3.87Å; Y20-I22 HydrophobicContact CE2-CD1 3.84Å; Y20-I22 HydrophobicContact CE2-CG1 4.18Å
21	T	64.2	Low	67.9	Low	128 Å²	128	101.7 Å²	101.7	79%	0.785	56%	0.555	S	S	*	*			trans	-115.4	109.6	169.9	-53.6	0	0	0	0	108
22	I	67.7	Low	69.4	Low	129 Å²	129	100.5 Å²	100.5	66%	0.662	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-85.6	126.9	171.7	-62.6	169.5	0	0	0	107	Y20 S24	Y20-I22 HydrophobicContact CD2-CD1 4.04Å; Y20-I22 HydrophobicContact CD2-CG1 3.87Å; Y20-I22 HydrophobicContact CE2-CD1 3.84Å; Y20-I22 HydrophobicContact CE2-CG1 4.18Å; I22-S24 PolarHBondContact O-N 3.48Å
23	M	71.7	Confident	70.5	Confident	47 Å²	47	102 Å²	102	23%	0.232	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-59.6	129.6	171.7	-75	179.3	53.3	0	0	110.2	E27 V28 K32	M23-E27 WeakPolarHBondContact CA-OE2 3.47Å; M23-E27 HydrophobicContact CB-CB 4.41Å; M23-E27 HydrophobicContact CE-CB 3.97Å; M23-V28 HydrophobicContact CB-CG2 4.21Å; M23-V28 HydrophobicContact CE-CB 4.48Å; M23-V28 HydrophobicContact CE-CG2 3.78Å; M23-K32 HydrophobicContact CE-CB 3.83Å; M23-K32 HydrophobicContact CE-CD 4.41Å; M23-K32 HydrophobicContact CE-CG 4.15Å; M23-K32 WeakPolarHBondContact CE-O 3.21Å
24	S	79.5	Confident	71.6	Confident	51 Å²	51	103.4 Å²	103.4	36%	0.357	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-65.8	157.5	171.7	63.8	0	0	0	0	111.4	I22 E26 E27 V28	I22-S24 PolarHBondContact O-N 3.48Å; S24-E26 PolarHBondContact O-N 2.92Å; S24-E27 PolarHBondContact N-OE2 3.2Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.12Å; S24-E27 VanDerWaalsContact OG-CG 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 3.14Å; S24-E27 PolarHBondContact OG-OE2 3Å; S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 2.92Å; S24-V28 VanDerWaalsContact O-N 3.1Å
25	A	82.8	Confident	72.5	Confident	88 Å²	88	107.9 Å²	107.9	73%	0.727	58%	0.578	S	S	*	*	H	α-helix	trans	-58.9	-31.5	175.8	0	0	0	0	0	112.7	A29	A25-A29 WeakPolarHBondContact O-CB 3.47Å; A25-A29 PolarHBondContact O-N 3.07Å
26	E	86.3	Confident	73.9	Confident	150 Å²	150	111.7 Å²	111.7	70%	0.701	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-42.2	174.5	-76.6	-179.7	162.1	0	0	112.3	S24 V28 A29 N30	S24-E26 PolarHBondContact O-N 2.92Å; E26-V28 VanDerWaalsContact C-N 3.31Å; E26-V28 PolarHBondContact O-N 3.04Å; E26-A29 PolarHBondContact O-N 2.76Å; E26-N30 WeakPolarHBondContact O-CB 2.75Å; E26-N30 VanDerWaalsContact O-CG 3.28Å; E26-N30 PolarHBondContact O-N 3.2Å; E26-N30 PolarHBondContact O-ND2 2.92Å
27	E	81.6	Confident	75.5	Confident	54 Å²	54	107.7 Å²	107.7	25%	0.252	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-39.3	175.8	-75.2	169.7	123.2	0	0	112	M23 S24 N30 G31 K32	M23-E27 WeakPolarHBondContact CA-OE2 3.47Å; M23-E27 HydrophobicContact CB-CB 4.41Å; M23-E27 HydrophobicContact CE-CB 3.97Å; S24-E27 PolarHBondContact N-OE2 3.2Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.12Å; S24-E27 VanDerWaalsContact OG-CG 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-N 3.14Å; S24-E27 PolarHBondContact OG-OE2 3Å; E27-N30 PolarHBondContact O-N 2.99Å; E27-G31 PolarHBondContact O-N 3.48Å; E27-K32 HydrophobicContact CB-CB 4.28Å; E27-K32 HydrophobicContact CB-CD 3.95Å; E27-K32 HydrophobicContact CG-CD 3.93Å; E27-K32 VanDerWaalsContact O-CB 3.24Å; E27-K32 WeakPolarHBondContact O-CB 3.28Å; E27-K32 PolarHBondContact O-N 3.14Å; E27-K32 VanDerWaalsContact O-N 3.09Å; E27-K32 IonicContact OE1-NZ 2.78Å; E27-K32 PolarHBondContact OE1-NZ 3.29Å
28	V	80.7	Confident	77.3	Confident	92 Å²	92	102.4 Å²	102.4	56%	0.558	55%	0.552	S	S	*	*	H	α-helix	trans	-63.7	-46.2	173.3	177	0	0	0	0	110.7	M23 S24 E26 N30 G31	M23-V28 HydrophobicContact CB-CG2 4.21Å; M23-V28 HydrophobicContact CE-CB 4.48Å; M23-V28 HydrophobicContact CE-CG2 3.78Å; S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 2.92Å; S24-V28 VanDerWaalsContact O-N 3.1Å; E26-V28 VanDerWaalsContact C-N 3.31Å; E26-V28 PolarHBondContact O-N 3.04Å; V28-N30 VanDerWaalsContact C-N 3.27Å; V28-N30 PolarHBondContact O-N 3.29Å; V28-G31 PolarHBondContact O-N 3.13Å; V28-G31 VanDerWaalsContact O-N 3.09Å
29	A	85.4	Confident	79	Confident	84 Å²	84	100 Å²	100	69%	0.694	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-32.7	179	0	0	0	0	0	112.8	A25 E26 G31	A25-A29 WeakPolarHBondContact O-CB 3.47Å; A25-A29 PolarHBondContact O-N 3.07Å; E26-A29 PolarHBondContact O-N 2.76Å; A29-G31 PolarHBondContact O-N 3.39Å
30	N	89.5	Confident	80.6	Confident	140 Å²	140	95.3 Å²	95.3	75%	0.749	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	4.3	176.6	-70.4	-26.1	0	0	0	113.8	E26 E27 V28 K32	E26-N30 WeakPolarHBondContact O-CB 2.75Å; E26-N30 VanDerWaalsContact O-CG 3.28Å; E26-N30 PolarHBondContact O-N 3.2Å; E26-N30 PolarHBondContact O-ND2 2.92Å; E27-N30 PolarHBondContact O-N 2.99Å; V28-N30 VanDerWaalsContact C-N 3.27Å; V28-N30 PolarHBondContact O-N 3.29Å; N30-K32 VanDerWaalsContact C-N 3.31Å; N30-K32 PolarHBondContact O-N 3.47Å
31	G	83.3	Confident	82.4	Confident	56 Å²	56	92.3 Å²	92.3	58%	0.577	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	17.9	176.8	0	0	0	0	0	114.6	E27 V28 A29 K33	E27-G31 PolarHBondContact O-N 3.48Å; V28-G31 PolarHBondContact O-N 3.13Å; V28-G31 VanDerWaalsContact O-N 3.09Å; A29-G31 PolarHBondContact O-N 3.39Å; G31-K33 PolarHBondContact O-N 3.33Å
32	K	79.2	Confident	83.7	Confident	116 Å²	116	88.6 Å²	88.6	50%	0.504	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-58.9	128.6	172.8	-176.6	177.7	-179.2	176.1	0	108.3	M23 E27 N30	M23-K32 HydrophobicContact CE-CB 3.83Å; M23-K32 HydrophobicContact CE-CD 4.41Å; M23-K32 HydrophobicContact CE-CG 4.15Å; M23-K32 WeakPolarHBondContact CE-O 3.21Å; E27-K32 HydrophobicContact CB-CB 4.28Å; E27-K32 HydrophobicContact CB-CD 3.95Å; E27-K32 HydrophobicContact CG-CD 3.93Å; E27-K32 VanDerWaalsContact O-CB 3.24Å; E27-K32 WeakPolarHBondContact O-CB 3.28Å; E27-K32 PolarHBondContact O-N 3.14Å; E27-K32 VanDerWaalsContact O-N 3.09Å; E27-K32 IonicContact OE1-NZ 2.78Å; E27-K32 PolarHBondContact OE1-NZ 3.29Å; N30-K32 VanDerWaalsContact C-N 3.31Å; N30-K32 PolarHBondContact O-N 3.47Å
33	K	75.5	Confident	84.8	Confident	164 Å²	164	85.5 Å²	85.5	71%	0.713	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-82.8	138.7	175.3	-67.9	-175.6	179.9	180	0	109.4	G31 H35	G31-K33 PolarHBondContact O-N 3.33Å; K33-H35 PolarHBondContact O-CD2 3.25Å
34	S	71.8	Confident	85.9	Confident	69 Å²	69	91.6 Å²	91.6	48%	0.483	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-80.4	136.5	168.7	-179	0	0	0	0	109.7
35	H	75.4	Confident	86.6	Confident	165 Å²	165	90.8 Å²	90.8	76%	0.764	50%	0.503	S	S	*	.			trans	-125.9	51.8	178.6	-65	-79.4	0	0	0	110.4	K33	K33-H35 PolarHBondContact O-CD2 3.25Å
36	W	86.1	Confident	87.3	Confident	111 Å²	111	95.5 Å²	95.5	42%	0.42	50%	0.502	S	S	.	.			trans	-73.6	132.9	172.4	50.3	-103.1	0	0	0	109.2	L39 L55 H57 L58	W36-L39 HydrophobicContact CZ3-CB 4.43Å; W36-L55 HydrophobicContact CH2-CD1 3.65Å; W36-L55 HydrophobicContact CH2-CD2 3.88Å; W36-L55 HydrophobicContact CH2-CG 4.25Å; W36-L55 HydrophobicContact CZ3-CD1 4.1Å; W36-H57 AromaticContact CE3-NE2 3.63Å; W36-H57 AromaticContact CH2-CE1 3.98Å; W36-H57 AromaticContact CH2-NE2 3.58Å; W36-H57 AromaticContact CZ3-NE2 3.35Å; W36-H57 VanDerWaalsContact CZ3-NE2 3.35Å; W36-H57 WeakPolarHBondContact CZ3-NE2 3.39Å; W36-H57 PolarHBondContact O-CD2 2.87Å; W36-H57 VanDerWaalsContact O-CD2 3.27Å; W36-L58 HydrophobicContact CE3-CD2 3.68Å; W36-L58 HydrophobicContact CZ3-CD1 4.47Å; W36-L58 HydrophobicContact CZ3-CD2 3.5Å; W36-L58 HydrophobicContact CZ3-CG 4.05Å
37	A	91	Very high	87.6	Confident	36 Å²	36	93 Å²	93	30%	0.298	50%	0.501	S	S	.	.			trans	-110.3	-1.8	174.3	0	0	0	0	0	111.7	L58 T59 A60	A37-L58 CarbonylContact O-C 3.58Å; A37-L58 WeakPolarHBondContact O-CA 3.13Å; A37-L58 VanDerWaalsContact O-CD2 3.28Å; A37-L58 WeakPolarHBondContact O-CD2 3.41Å; A37-T59 HydrophobicContact CB-CG2 4.26Å; A37-T59 WeakPolarHBondContact CB-OG1 3.08Å; A37-T59 PolarHBondContact O-N 2.87Å; A37-T59 PolarHBondContact O-OG1 3.07Å; A37-A60 PolarHBondContact O-N 3.26Å; A37-A60 VanDerWaalsContact O-N 3.14Å
38	E	94.8	Very high	88.3	Confident	100 Å²	100	92 Å²	92	47%	0.467	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.3	-179.4	-51	-165.9	-166.8	0	0	110.3	R18 A60 H62	R18-E38 IonicContact CZ-OE2 2.96Å; R18-E38 IonicContact NH1-OE2 3.88Å; R18-E38 PolarHBondContact NH1-OE2 3.41Å; E38-A60 VanDerWaalsContact CA-O 3.32Å; E38-A60 WeakPolarHBondContact CA-O 3.27Å; E38-A60 HydrophobicContact CB-CB 4.11Å; E38-A60 HydrophobicContact CG-CB 3.69Å; E38-H62 IonicContact OE2-NE2 3.82Å
39	L	94.5	Very high	88.9	Confident	46 Å²	46	91.3 Å²	91.3	24%	0.241	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.9	174	177.4	63.9	0	0	0	110.2	W36 I41 L52 L55 L58 A60 L61 H62	W36-L39 HydrophobicContact CZ3-CB 4.43Å; L39-I41 HydrophobicContact CD2-CD1 4.2Å; L39-I41 HydrophobicContact CD2-CG1 4.35Å; L39-I41 HydrophobicContact CG-CG1 4.18Å; L39-L52 HydrophobicContact CD2-CD1 3.42Å; L39-L52 VanDerWaalsContact CD2-CD1 3.42Å; L39-L55 HydrophobicContact CD2-CD1 3.92Å; L39-L58 HydrophobicContact CB-CD1 4.04Å; L39-L58 HydrophobicContact CB-CD2 3.84Å; L39-L58 HydrophobicContact CD2-CD1 4.24Å; L39-A60 PolarHBondContact N-O 3.47Å; L39-A60 VanDerWaalsContact N-O 3.09Å; L39-L61 HydrophobicContact CB-CD1 4.18Å; L39-L61 HydrophobicContact CD2-CD1 4.34Å; L39-L61 HydrophobicContact CG-CD1 4.32Å; L39-L61 WeakPolarHBondContact O-CA 3Å; L39-H62 PolarHBondContact O-N 3.45Å
40	E	94.7	Very high	89.3	Confident	71 Å²	71	92.5 Å²	92.5	33%	0.332	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	171.3	-178.4	176.7	-174.8	0	0	110	P14 H62	P14-E40 WeakPolarHBondContact CG-OE1 3.43Å; P14-E40 WeakPolarHBondContact CG-OE2 3.29Å; E40-H62 WeakPolarHBondContact CA-O 3.06Å; E40-H62 HydrophobicContact CB-CB 3.89Å; E40-H62 HydrophobicContact CG-CB 3.81Å
41	I	94.7	Very high	89.6	Confident	42 Å²	42	89.4 Å²	89.4	22%	0.215	49%	0.485	C	S	.	.			trans	-124.7	119.3	173.5	-57.3	177.1	0	0	0	107.2	L39 V45 L48 L52 H62 L63 N66	L39-I41 HydrophobicContact CD2-CD1 4.2Å; L39-I41 HydrophobicContact CD2-CG1 4.35Å; L39-I41 HydrophobicContact CG-CG1 4.18Å; I41-V45 HydrophobicContact CG2-CB 4.41Å; I41-V45 HydrophobicContact CG2-CG1 4.5Å; I41-V45 HydrophobicContact CG2-CG2 3.73Å; I41-L48 HydrophobicContact CD1-CD2 3.89Å; I41-L48 HydrophobicContact CG2-CD2 4.29Å; I41-L52 HydrophobicContact CD1-CD1 4.29Å; I41-L52 HydrophobicContact CD1-CD2 3.9Å; I41-H62 PolarHBondContact N-O 3.05Å; I41-L63 HydrophobicContact CB-CD2 3.79Å; I41-L63 HydrophobicContact CD1-CD2 3.95Å; I41-L63 HydrophobicContact CG1-CD2 4.15Å; I41-N66 PolarHBondContact O-ND2 3.31Å
42	S	91.8	Very high	90.2	Very high	49 Å²	49	87.3 Å²	87.3	34%	0.343	46%	0.46	S	S	.	.			trans	-135.7	171.2	179.6	56.5	0	0	0	0	111.1
43	G	91.2	Very high	91	Very high	65 Å²	65	82 Å²	82	67%	0.67	44%	0.437	S	S	*	.	S	Bend	trans	105.4	41.1	-179.9	0	0	0	0	0	115.4	V45	G43-V45 VanDerWaalsContact C-N 3.3Å; G43-V45 PolarHBondContact O-N 3.35Å
44	R	93.6	Very high	91.9	Very high	175 Å²	175	78.1 Å²	78.1	66%	0.66	43%	0.431	S	S	*	.	S	Bend	trans	61.9	35	174.7	-54.3	176.7	-178.3	171.8	0.2	113.2	R46 N66 Y67	R44-R46 PolarHBondContact O-N 3.31Å; R44-N66 PolarHBondContact N-OD1 3.28Å; R44-Y67 HydrophobicContact CB-CD2 3.84Å; R44-Y67 HydrophobicContact CB-CE2 3.78Å; R44-Y67 HydrophobicContact CB-CG 4.31Å; R44-Y67 HydrophobicContact CG-CD2 4.46Å; R44-Y67 HydrophobicContact CG-CE1 4.42Å; R44-Y67 HydrophobicContact CG-CE2 3.94Å
45	V	95.7	Very high	93.1	Very high	33 Å²	33	76.9 Å²	76.9	20%	0.2	42%	0.418	C	S	.	.			trans	-62.9	133	-178.2	178.4	0	0	0	0	110.6	I41 G43 S47 L48 N66 Y67 L68	I41-V45 HydrophobicContact CG2-CB 4.41Å; I41-V45 HydrophobicContact CG2-CG1 4.5Å; I41-V45 HydrophobicContact CG2-CG2 3.73Å; G43-V45 VanDerWaalsContact C-N 3.3Å; G43-V45 PolarHBondContact O-N 3.35Å; V45-S47 WeakPolarHBondContact CG1-O 3.35Å; V45-L48 HydrophobicContact CG1-CD2 3.99Å; V45-N66 HydrophobicContact CB-CB 4.31Å; V45-N66 WeakPolarHBondContact CB-OD1 3.23Å; V45-N66 WeakPolarHBondContact CG2-OD1 3.37Å; V45-N66 PolarHBondContact N-OD1 2.91Å; V45-Y67 CarbonylContact O-C 3.45Å; V45-Y67 WeakPolarHBondContact O-CA 3.15Å; V45-Y67 PolarHBondContact O-N 3.25Å; V45-L68 HydrophobicContact CG1-CD2 4.16Å; V45-L68 PolarHBondContact O-N 3.03Å
46	R	96.5	Very high	94	Very high	188 Å²	188	71.7 Å²	71.7	71%	0.709	40%	0.399	S	S	*	.			trans	-104	-20.5	179.5	-67.5	178.7	179.8	163.7	0.4	113.5	R44	R44-R46 PolarHBondContact O-N 3.31Å
47	S	93.7	Very high	94.4	Very high	96 Å²	96	70.6 Å²	70.6	67%	0.671	40%	0.398	S	S	*	.			trans	-150.7	144.2	-177.9	56.5	0	0	0	0	110.2	V45	V45-S47 WeakPolarHBondContact CG1-O 3.35Å
48	L	94.7	Very high	94.7	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.183	38%	0.384	C	S	.	.			trans	-103.7	142.8	177.4	-60.2	167.8	0	0	0	109.6	I41 V45 L52 W53 L63 L68 I71	I41-L48 HydrophobicContact CD1-CD2 3.89Å; I41-L48 HydrophobicContact CG2-CD2 4.29Å; V45-L48 HydrophobicContact CG1-CD2 3.99Å; L48-L52 HydrophobicContact CB-CD2 4Å; L48-L52 HydrophobicContact CD1-CD2 3.88Å; L48-L52 HydrophobicContact CD2-CD2 4.06Å; L48-L52 HydrophobicContact CG-CD2 4.18Å; L48-W53 HydrophobicContact CB-CH2 4.26Å; L48-W53 HydrophobicContact CB-CZ2 3.88Å; L48-W53 HydrophobicContact CD1-CH2 3.49Å; L48-W53 VanDerWaalsContact CD1-CH2 3.49Å; L48-W53 HydrophobicContact CD1-CZ2 3.9Å; L48-L63 HydrophobicContact CD1-CD1 3.7Å; L48-L63 HydrophobicContact CD1-CD2 4.12Å; L48-L63 HydrophobicContact CD2-CD2 3.94Å; L48-L68 HydrophobicContact CD1-CD1 3.95Å; L48-L68 HydrophobicContact CD1-CD2 4.26Å; L48-L68 HydrophobicContact CD2-CD2 4.35Å; L48-L68 HydrophobicContact CG-CD1 4.41Å; L48-L68 HydrophobicContact CG-CD2 3.92Å; L48-I71 HydrophobicContact CD1-CD1 4.25Å
49	S	94.2	Very high	94.8	Very high	77 Å²	77	66.8 Å²	66.8	54%	0.538	38%	0.378	S	S	.	.			trans	-65.7	142.7	173.3	178.6	0	0	0	0	110.3	S51 L52	S49-S51 PolarHBondContact O-N 3.25Å; S49-S51 PolarHBondContact OG-N 3.14Å; S49-L52 VanDerWaalsContact O-CB 3.24Å; S49-L52 WeakPolarHBondContact O-CB 3.36Å; S49-L52 PolarHBondContact O-N 3.24Å
50	T	94	Very high	95	Very high	109 Å²	109	64.9 Å²	64.9	67%	0.669	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.7	175.5	50.8	0	0	0	0	112.8	L52 W53	T50-L52 PolarHBondContact O-N 2.76Å; T50-W53 VanDerWaalsContact O-CD1 3.32Å; T50-W53 PolarHBondContact O-N 3.38Å
51	S	95.1	Very high	95.2	Very high	75 Å²	75	61.5 Å²	61.5	52%	0.524	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.4	173.5	-53	0	0	0	0	113.4	S49 W53 S54	S49-S51 PolarHBondContact O-N 3.25Å; S49-S51 PolarHBondContact OG-N 3.14Å; S51-W53 PolarHBondContact O-N 2.98Å; S51-S54 PolarHBondContact O-N 2.86Å; S51-S54 PolarHBondContact O-OG 2.86Å
52	L	96	Very high	95.3	Very high	11 Å²	11	59.9 Å²	59.9	6%	0.058	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-58.7	-38.1	174.5	175.8	55.9	0	0	0	111.3	L39 I41 L48 S49 T50 S54 L55 L58 L61	L39-L52 HydrophobicContact CD2-CD1 3.42Å; L39-L52 VanDerWaalsContact CD2-CD1 3.42Å; I41-L52 HydrophobicContact CD1-CD1 4.29Å; I41-L52 HydrophobicContact CD1-CD2 3.9Å; L48-L52 HydrophobicContact CB-CD2 4Å; L48-L52 HydrophobicContact CD1-CD2 3.88Å; L48-L52 HydrophobicContact CD2-CD2 4.06Å; L48-L52 HydrophobicContact CG-CD2 4.18Å; S49-L52 VanDerWaalsContact O-CB 3.24Å; S49-L52 WeakPolarHBondContact O-CB 3.36Å; S49-L52 PolarHBondContact O-N 3.24Å; T50-L52 PolarHBondContact O-N 2.76Å; L52-S54 PolarHBondContact O-N 3.22Å; L52-L55 HydrophobicContact CD1-CD1 3.94Å; L52-L55 WeakPolarHBondContact O-CB 3.4Å; L52-L55 WeakPolarHBondContact O-CG 3.28Å; L52-L55 PolarHBondContact O-N 3.34Å; L52-L55 VanDerWaalsContact O-N 3.14Å; L52-L58 HydrophobicContact CD1-CD1 4.44Å; L52-L61 HydrophobicContact CD1-CD1 4.31Å
53	W	95.9	Very high	95.6	Very high	5 Å²	5	57.6 Å²	57.6	2%	0.019	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-75.5	-10.6	-174.1	-42.6	130.7	0	0	0	113.7	L48 T50 S51 L55 L61 P72 D74 I75 K77 L78	L48-W53 HydrophobicContact CB-CH2 4.26Å; L48-W53 HydrophobicContact CB-CZ2 3.88Å; L48-W53 HydrophobicContact CD1-CH2 3.49Å; L48-W53 VanDerWaalsContact CD1-CH2 3.49Å; L48-W53 HydrophobicContact CD1-CZ2 3.9Å; T50-W53 VanDerWaalsContact O-CD1 3.32Å; T50-W53 PolarHBondContact O-N 3.38Å; S51-W53 PolarHBondContact O-N 2.98Å; W53-L55 VanDerWaalsContact C-N 3.32Å; W53-L61 HydrophobicContact CZ3-CD2 4.43Å; W53-P72 HydrophobicContact CH2-CG 4.38Å; W53-P72 HydrophobicContact CZ2-CG 3.42Å; W53-P72 VanDerWaalsContact CZ2-CG 3.42Å; W53-D74 HydrophobicContact CB-CB 3.93Å; W53-D74 HydrophobicContact CD2-CB 4.24Å; W53-D74 HydrophobicContact CG-CB 3.56Å; W53-I75 HydrophobicContact CE3-CB 4.37Å; W53-I75 HydrophobicContact CE3-CG1 4.45Å; W53-I75 HydrophobicContact CZ3-CB 4.09Å; W53-I75 HydrophobicContact CZ3-CD1 4.37Å; W53-I75 HydrophobicContact CZ3-CG1 3.93Å; W53-K77 HydrophobicContact CB-CD 4.25Å; W53-K77 WeakPolarHBondContact O-CB 3.46Å; W53-L78 HydrophobicContact CE3-CD1 3.95Å; W53-L78 HydrophobicContact CE3-CG 4.4Å; W53-L78 HydrophobicContact CZ3-CD1 4.18Å
54	S	95.6	Very high	95.9	Very high	83 Å²	83	56 Å²	56	58%	0.58	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-85.2	-5.1	171.8	66.8	0	0	0	0	113.1	S51 L52 T56	S51-S54 PolarHBondContact O-N 2.86Å; S51-S54 PolarHBondContact O-OG 2.86Å; L52-S54 PolarHBondContact O-N 3.22Å; S54-T56 PolarHBondContact O-N 2.96Å
55	L	95.5	Very high	96.1	Very high	42 Å²	42	52.2 Å²	52.2	22%	0.22	30%	0.297	C	S	.	.			trans	-82.2	54.9	-179.9	-57.1	177.4	0	0	0	111	W36 L39 L52 W53 H57 L58 L78	W36-L55 HydrophobicContact CH2-CD1 3.65Å; W36-L55 HydrophobicContact CH2-CD2 3.88Å; W36-L55 HydrophobicContact CH2-CG 4.25Å; W36-L55 HydrophobicContact CZ3-CD1 4.1Å; L39-L55 HydrophobicContact CD2-CD1 3.92Å; L52-L55 HydrophobicContact CD1-CD1 3.94Å; L52-L55 WeakPolarHBondContact O-CB 3.4Å; L52-L55 WeakPolarHBondContact O-CG 3.28Å; L52-L55 PolarHBondContact O-N 3.34Å; L52-L55 VanDerWaalsContact O-N 3.14Å; W53-L55 VanDerWaalsContact C-N 3.32Å; L55-H57 PolarHBondContact O-N 3.21Å; L55-L58 HydrophobicContact CB-CD1 3.77Å; L55-L58 HydrophobicContact CB-CG 4.03Å; L55-L58 HydrophobicContact CD1-CD1 4.21Å; L55-L58 WeakPolarHBondContact O-CB 3.49Å; L55-L58 WeakPolarHBondContact O-CG 3.4Å; L55-L58 PolarHBondContact O-N 2.89Å; L55-L78 WeakPolarHBondContact O-CD2 3.16Å
56	T	95.1	Very high	96.2	Very high	57 Å²	57	50.7 Å²	50.7	35%	0.35	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.7	-170.5	59.7	0	0	0	0	114.5	S54 L58 K77 N80	S54-T56 PolarHBondContact O-N 2.96Å; T56-L58 VanDerWaalsContact C-N 3.28Å; T56-K77 WeakPolarHBondContact CG2-O 3.25Å; T56-N80 PolarHBondContact O-ND2 3.05Å
57	H	94.4	Very high	96.3	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.407	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.4	175.4	61	-84.9	0	0	0	113.7	W36 L55	W36-H57 AromaticContact CE3-NE2 3.63Å; W36-H57 AromaticContact CH2-CE1 3.98Å; W36-H57 AromaticContact CH2-NE2 3.58Å; W36-H57 AromaticContact CZ3-NE2 3.35Å; W36-H57 VanDerWaalsContact CZ3-NE2 3.35Å; W36-H57 WeakPolarHBondContact CZ3-NE2 3.39Å; W36-H57 PolarHBondContact O-CD2 2.87Å; W36-H57 VanDerWaalsContact O-CD2 3.27Å; L55-H57 PolarHBondContact O-N 3.21Å
58	L	96.9	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.			trans	-64.4	134	178.8	-77.8	176.9	0	0	0	111.8	W36 A37 L39 L52 L55 T56 N80 L81	W36-L58 HydrophobicContact CE3-CD2 3.68Å; W36-L58 HydrophobicContact CZ3-CD1 4.47Å; W36-L58 HydrophobicContact CZ3-CD2 3.5Å; W36-L58 HydrophobicContact CZ3-CG 4.05Å; A37-L58 CarbonylContact O-C 3.58Å; A37-L58 WeakPolarHBondContact O-CA 3.13Å; A37-L58 VanDerWaalsContact O-CD2 3.28Å; A37-L58 WeakPolarHBondContact O-CD2 3.41Å; L39-L58 HydrophobicContact CB-CD1 4.04Å; L39-L58 HydrophobicContact CB-CD2 3.84Å; L39-L58 HydrophobicContact CD2-CD1 4.24Å; L52-L58 HydrophobicContact CD1-CD1 4.44Å; L55-L58 HydrophobicContact CB-CD1 3.77Å; L55-L58 HydrophobicContact CB-CG 4.03Å; L55-L58 HydrophobicContact CD1-CD1 4.21Å; L55-L58 WeakPolarHBondContact O-CB 3.49Å; L55-L58 WeakPolarHBondContact O-CG 3.4Å; L55-L58 PolarHBondContact O-N 2.89Å; T56-L58 VanDerWaalsContact C-N 3.28Å; L58-N80 CarbonylContact O-C 3.53Å; L58-N80 VanDerWaalsContact O-C 3.3Å; L58-L81 HydrophobicContact CB-CD2 3.99Å; L58-L81 PolarHBondContact O-N 3.48Å
59	T	97.9	Very high	96.7	Very high	55 Å²	55	43.6 Å²	43.6	34%	0.337	26%	0.256	S	S	.	.	S	Bend	trans	-109.5	-21.9	172.4	61.1	0	0	0	0	112.7	A37 L81 V82 Y83	A37-T59 HydrophobicContact CB-CG2 4.26Å; A37-T59 WeakPolarHBondContact CB-OG1 3.08Å; A37-T59 PolarHBondContact O-N 2.87Å; A37-T59 PolarHBondContact O-OG1 3.07Å; T59-L81 VanDerWaalsContact C-CD2 3.44Å; T59-V82 PolarHBondContact O-N 3.02Å; T59-Y83 PolarHBondContact O-N 3Å; T59-Y83 VanDerWaalsContact O-N 3.08Å
60	A	98.3	Very high	96.8	Very high	6 Å²	6	49.2 Å²	49.2	5%	0.05	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.4	170.3	0	0	0	0	0	112.5	A37 E38 L39 Y83	A37-A60 PolarHBondContact O-N 3.26Å; A37-A60 VanDerWaalsContact O-N 3.14Å; E38-A60 VanDerWaalsContact CA-O 3.32Å; E38-A60 WeakPolarHBondContact CA-O 3.27Å; E38-A60 HydrophobicContact CB-CB 4.11Å; E38-A60 HydrophobicContact CG-CB 3.69Å; L39-A60 PolarHBondContact N-O 3.47Å; L39-A60 VanDerWaalsContact N-O 3.09Å; A60-Y83 WeakPolarHBondContact CA-O 3.23Å; A60-Y83 HydrophobicContact CB-CD1 4.25Å; A60-Y83 HydrophobicContact CB-CG 4.47Å
61	L	98.2	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.9	176.9	179.1	59.1	0	0	0	110.8	L39 L52 W53 L63 L78 L81 Y83 L84 D85	L39-L61 HydrophobicContact CB-CD1 4.18Å; L39-L61 HydrophobicContact CD2-CD1 4.34Å; L39-L61 HydrophobicContact CG-CD1 4.32Å; L39-L61 WeakPolarHBondContact O-CA 3Å; L52-L61 HydrophobicContact CD1-CD1 4.31Å; W53-L61 HydrophobicContact CZ3-CD2 4.43Å; L61-L63 HydrophobicContact CD1-CD2 4.07Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L61-L63 HydrophobicContact CD2-CD1 3.91Å; L61-L63 HydrophobicContact CD2-CG 4.31Å; L61-L63 HydrophobicContact CG-CD1 4.07Å; L61-L63 HydrophobicContact CG-CD2 4.4Å; L61-L63 HydrophobicContact CG-CG 3.91Å; L61-L78 HydrophobicContact CD2-CD1 3.75Å; L61-L81 HydrophobicContact CB-CD1 3.97Å; L61-L81 HydrophobicContact CB-CD2 3.81Å; L61-L81 HydrophobicContact CD2-CD1 4.2Å; L61-Y83 PolarHBondContact N-O 3.44Å; L61-L84 HydrophobicContact CB-CD1 4.08Å; L61-L84 HydrophobicContact CD2-CD1 4.11Å; L61-L84 HydrophobicContact CG-CD1 4.13Å; L61-D85 PolarHBondContact O-N 2.99Å
62	H	97.9	Very high	97	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.1	-179.9	-60.3	-90.1	0	0	0	109.9	R18 E38 L39 E40 I41 Y83	R18-H62 VanDerWaalsContact CZ-CE1 3.48Å; R18-H62 PolarHBondContact NH1-NE2 3.01Å; R18-H62 PolarHBondContact NH2-CE1 3.41Å; R18-H62 PolarHBondContact NH2-NE2 2.85Å; R18-H62 VanDerWaalsContact NH2-NE2 3.17Å; E38-H62 IonicContact OE2-NE2 3.82Å; L39-H62 PolarHBondContact O-N 3.45Å; E40-H62 WeakPolarHBondContact CA-O 3.06Å; E40-H62 HydrophobicContact CB-CB 3.89Å; E40-H62 HydrophobicContact CG-CB 3.81Å; I41-H62 PolarHBondContact N-O 3.05Å; H62-Y83 AromaticContact CE1-CD1 3.64Å; H62-Y83 AromaticContact CE1-CE1 3.09Å; H62-Y83 WeakPolarHBondContact CE1-CE1 3.37Å; H62-Y83 AromaticContact CE1-CZ 3.77Å; H62-Y83 AromaticContact ND1-CE1 3.48Å; H62-Y83 WeakPolarHBondContact ND1-CE1 3.33Å; H62-Y83 AromaticContact NE2-CD1 3.94Å; H62-Y83 AromaticContact NE2-CE1 3.85Å
63	L	97.8	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.			trans	-123.4	12.1	178.6	-63.2	175.7	0	0	0	111.5	I41 L48 L61 N66 L68 I71 D85 L86 N89	I41-L63 HydrophobicContact CB-CD2 3.79Å; I41-L63 HydrophobicContact CD1-CD2 3.95Å; I41-L63 HydrophobicContact CG1-CD2 4.15Å; L48-L63 HydrophobicContact CD1-CD1 3.7Å; L48-L63 HydrophobicContact CD1-CD2 4.12Å; L48-L63 HydrophobicContact CD2-CD2 3.94Å; L61-L63 HydrophobicContact CD1-CD2 4.07Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L61-L63 HydrophobicContact CD2-CD1 3.91Å; L61-L63 HydrophobicContact CD2-CG 4.31Å; L61-L63 HydrophobicContact CG-CD1 4.07Å; L61-L63 HydrophobicContact CG-CD2 4.4Å; L61-L63 HydrophobicContact CG-CG 3.91Å; L63-N66 PolarHBondContact O-ND2 3.24Å; L63-L68 HydrophobicContact CB-CD1 4.11Å; L63-L68 HydrophobicContact CD1-CD1 4.29Å; L63-I71 HydrophobicContact CD1-CD1 4.41Å; L63-D85 CarbonylContact C-O 3.59Å; L63-D85 WeakPolarHBondContact CA-O 3.48Å; L63-D85 WeakPolarHBondContact CB-O 3.35Å; L63-D85 PolarHBondContact N-O 2.91Å; L63-L86 HydrophobicContact CB-CD2 3.88Å; L63-L86 HydrophobicContact CD1-CD2 3.68Å; L63-L86 HydrophobicContact CG-CD2 4.41Å; L63-N89 PolarHBondContact O-ND2 3.11Å
64	N	97.7	Very high	97.1	Very high	31 Å²	31	47.4 Å²	47.4	17%	0.166	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	156.9	-179.9	55.9	-72.5	0	0	0	112.4	N66 D85 S87	N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.2Å; N64-N66 PolarHBondContact O-ND2 3.28Å; N64-N66 VanDerWaalsContact O-ND2 3.11Å; N64-D85 PolarHBondContact N-O 3.3Å; N64-S87 CarbonylContact C-O 3.43Å; N64-S87 WeakPolarHBondContact CA-O 3Å
65	D	97.6	Very high	97.2	Very high	97 Å²	97	43.5 Å²	43.5	52%	0.519	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	34.5	174.6	-55.6	-65.8	0	0	0	114.3	S87 S88	D65-S87 PolarHBondContact N-O 3.44Å; D65-S88 WeakPolarHBondContact OD1-CB 3.35Å; D65-S88 PolarHBondContact OD1-OG 3.12Å; D65-S88 VanDerWaalsContact OD1-OG 3.13Å
66	N	98	Very high	97.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-110.4	-177.1	172.7	-74.7	-67.1	0	0	0	112.2	I41 R44 V45 L63 N64 L68 N89	I41-N66 PolarHBondContact O-ND2 3.31Å; R44-N66 PolarHBondContact N-OD1 3.28Å; V45-N66 HydrophobicContact CB-CB 4.31Å; V45-N66 WeakPolarHBondContact CB-OD1 3.23Å; V45-N66 WeakPolarHBondContact CG2-OD1 3.37Å; V45-N66 PolarHBondContact N-OD1 2.91Å; L63-N66 PolarHBondContact O-ND2 3.24Å; N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.2Å; N64-N66 PolarHBondContact O-ND2 3.28Å; N64-N66 VanDerWaalsContact O-ND2 3.11Å; N66-L68 HydrophobicContact CB-CG 4.13Å; N66-N89 WeakPolarHBondContact CA-OD1 3.45Å; N66-N89 WeakPolarHBondContact CB-OD1 3.47Å; N66-N89 WeakPolarHBondContact O-CA 3.43Å; N66-N89 PolarHBondContact O-OD1 2.94Å; N66-N89 VanDerWaalsContact O-OD1 3.13Å
67	Y	98	Very high	97.3	Very high	98 Å²	98	45.1 Å²	45.1	38%	0.384	23%	0.228	S	C	.	.			trans	-110.4	32.9	178.4	-66.5	-11.9	0	0	0	111.7	R44 V45 S69	R44-Y67 HydrophobicContact CB-CD2 3.84Å; R44-Y67 HydrophobicContact CB-CE2 3.78Å; R44-Y67 HydrophobicContact CB-CG 4.31Å; R44-Y67 HydrophobicContact CG-CD2 4.46Å; R44-Y67 HydrophobicContact CG-CE1 4.42Å; R44-Y67 HydrophobicContact CG-CE2 3.94Å; V45-Y67 CarbonylContact O-C 3.45Å; V45-Y67 WeakPolarHBondContact O-CA 3.15Å; V45-Y67 PolarHBondContact O-N 3.25Å; Y67-S69 PolarHBondContact O-N 2.9Å
68	L	98.2	Very high	97.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.			trans	-67	123.3	177.9	-57.1	173.4	0	0	0	109.2	V45 L48 L63 N66 I71 N89 K90 L91	V45-L68 HydrophobicContact CG1-CD2 4.16Å; V45-L68 PolarHBondContact O-N 3.03Å; L48-L68 HydrophobicContact CD1-CD1 3.95Å; L48-L68 HydrophobicContact CD1-CD2 4.26Å; L48-L68 HydrophobicContact CD2-CD2 4.35Å; L48-L68 HydrophobicContact CG-CD1 4.41Å; L48-L68 HydrophobicContact CG-CD2 3.92Å; L63-L68 HydrophobicContact CB-CD1 4.11Å; L63-L68 HydrophobicContact CD1-CD1 4.29Å; N66-L68 HydrophobicContact CB-CG 4.13Å; L68-I71 HydrophobicContact CD1-CD1 3.86Å; L68-N89 HydrophobicContact CB-CB 4.35Å; L68-N89 VanDerWaalsContact CB-OD1 3.25Å; L68-N89 WeakPolarHBondContact CB-OD1 3.49Å; L68-N89 WeakPolarHBondContact CG-OD1 3.47Å; L68-N89 PolarHBondContact N-OD1 3.12Å; L68-K90 CarbonylContact O-C 3.26Å; L68-K90 VanDerWaalsContact O-C 3.26Å; L68-K90 WeakPolarHBondContact O-CA 3.38Å; L68-K90 PolarHBondContact O-N 2.96Å; L68-L91 HydrophobicContact CB-CD2 4.17Å; L68-L91 PolarHBondContact O-N 3.08Å
69	S	97.8	Very high	97.2	Very high	71 Å²	71	45.8 Å²	45.8	50%	0.497	23%	0.231	S	C	.	.	S	Bend	trans	-92.5	-18.1	176.3	57.1	0	0	0	0	113.1	Y67	Y67-S69 PolarHBondContact O-N 2.9Å
70	R	96.9	Very high	97.2	Very high	194 Å²	194	46.6 Å²	46.6	73%	0.732	23%	0.233	S	C	*	.			trans	-152.9	157.7	177.7	63.8	179.6	-176.9	174.3	1.9	110.6
71	I	97.2	Very high	97.2	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.046	23%	0.231	C	C	.	.			trans	-116	129.3	165.2	-65.1	-59.2	0	0	0	107.6	L48 L63 L68 I75 L86 L91 P95	L48-I71 HydrophobicContact CD1-CD1 4.25Å; L63-I71 HydrophobicContact CD1-CD1 4.41Å; L68-I71 HydrophobicContact CD1-CD1 3.86Å; I71-I75 HydrophobicContact CG2-CB 3.73Å; I71-I75 HydrophobicContact CG2-CD1 3.53Å; I71-I75 HydrophobicContact CG2-CG1 4.21Å; I71-I75 HydrophobicContact CG2-CG2 3.68Å; I71-L86 HydrophobicContact CD1-CD2 3.51Å; I71-L86 HydrophobicContact CG1-CD1 4.07Å; I71-L86 HydrophobicContact CG1-CD2 3.76Å; I71-L91 HydrophobicContact CD1-CD2 4.48Å; I71-L91 HydrophobicContact CG1-CD1 4.13Å; I71-L91 HydrophobicContact CG1-CD2 3.91Å; I71-P95 HydrophobicContact CG2-CG 4.31Å
72	P	96.7	Very high	97.2	Very high	37 Å²	37	48.9 Å²	48.9	24%	0.24	25%	0.247	C	C	.	.			trans	-73.2	154.3	179.6	31.2	-34.7	0	0	0	111.6	W53 D74 I75	W53-P72 HydrophobicContact CH2-CG 4.38Å; W53-P72 HydrophobicContact CZ2-CG 3.42Å; W53-P72 VanDerWaalsContact CZ2-CG 3.42Å; P72-D74 PolarHBondContact O-N 2.85Å; P72-D74 VanDerWaalsContact O-N 3.08Å; P72-I75 WeakPolarHBondContact O-CG2 3.47Å; P72-I75 PolarHBondContact O-N 3.22Å; P72-I75 VanDerWaalsContact O-N 3.12Å
73	P	96.9	Very high	97.2	Very high	62 Å²	62	50.7 Å²	50.7	40%	0.403	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-47	-33.7	171.1	-34.8	40.6	0	0	0	114.9	I75 A76 P95 E97	P73-I75 PolarHBondContact O-N 3.38Å; P73-A76 WeakPolarHBondContact O-CB 2.98Å; P73-A76 PolarHBondContact O-N 3.03Å; P73-P95 HydrophobicContact CG-CB 4.27Å; P73-E97 HydrophobicContact CB-CB 4.38Å; P73-E97 VanDerWaalsContact CB-CD 3.46Å; P73-E97 HydrophobicContact CB-CG 3.96Å
74	D	97.3	Very high	97.3	Very high	55 Å²	55	50.7 Å²	50.7	29%	0.294	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-55.3	-17.7	179	-64.1	-96.8	0	0	0	114.8	W53 P72 A76 K77	W53-D74 HydrophobicContact CB-CB 3.93Å; W53-D74 HydrophobicContact CD2-CB 4.24Å; W53-D74 HydrophobicContact CG-CB 3.56Å; P72-D74 PolarHBondContact O-N 2.85Å; P72-D74 VanDerWaalsContact O-N 3.08Å; D74-A76 PolarHBondContact O-N 3.43Å; D74-A76 VanDerWaalsContact O-N 3.14Å; D74-K77 HydrophobicContact CB-CD 4.32Å; D74-K77 VanDerWaalsContact O-CB 3.26Å; D74-K77 WeakPolarHBondContact O-CB 3.45Å; D74-K77 WeakPolarHBondContact O-CG 3.36Å; D74-K77 PolarHBondContact O-N 3.19Å; D74-K77 WeakPolarHBondContact OD1-CE 3.37Å; D74-K77 IonicContact OD1-NZ 3.85Å; D74-K77 PolarHBondContact OD1-NZ 3.09Å
75	I	97	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-54.7	-31.3	173.3	-165.6	165.9	0	0	0	112.2	W53 I71 P72 P73 K77 L78 L84 P95 L98 M101	W53-I75 HydrophobicContact CE3-CB 4.37Å; W53-I75 HydrophobicContact CE3-CG1 4.45Å; W53-I75 HydrophobicContact CZ3-CB 4.09Å; W53-I75 HydrophobicContact CZ3-CD1 4.37Å; W53-I75 HydrophobicContact CZ3-CG1 3.93Å; I71-I75 HydrophobicContact CG2-CB 3.73Å; I71-I75 HydrophobicContact CG2-CD1 3.53Å; I71-I75 HydrophobicContact CG2-CG1 4.21Å; I71-I75 HydrophobicContact CG2-CG2 3.68Å; P72-I75 WeakPolarHBondContact O-CG2 3.47Å; P72-I75 PolarHBondContact O-N 3.22Å; P72-I75 VanDerWaalsContact O-N 3.12Å; P73-I75 PolarHBondContact O-N 3.38Å; I75-K77 PolarHBondContact O-N 3.06Å; I75-K77 VanDerWaalsContact O-N 3.14Å; I75-L78 WeakPolarHBondContact O-CB 3.42Å; I75-L78 PolarHBondContact O-N 3.47Å; I75-L84 HydrophobicContact CD1-CD1 4.15Å; I75-L84 HydrophobicContact CD1-CD2 3.61Å; I75-P95 HydrophobicContact CG2-CG 4.2Å; I75-L98 HydrophobicContact CG2-CD1 4.43Å; I75-M101 HydrophobicContact CG1-CE 4.38Å; I75-M101 HydrophobicContact CG1-SD 4.11Å; I75-M101 HydrophobicContact CG2-SD 4.19Å
76	A	95.9	Very high	97.4	Very high	22 Å²	22	45.4 Å²	45.4	18%	0.182	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17	178.5	0	0	0	0	0	113.9	P73 D74 L78 E97 N100 M101	P73-A76 WeakPolarHBondContact O-CB 2.98Å; P73-A76 PolarHBondContact O-N 3.03Å; D74-A76 PolarHBondContact O-N 3.43Å; D74-A76 VanDerWaalsContact O-N 3.14Å; A76-L78 PolarHBondContact O-N 2.93Å; A76-E97 HydrophobicContact CB-CB 3.77Å; A76-E97 VanDerWaalsContact CB-O 3.28Å; A76-E97 WeakPolarHBondContact CB-O 3.31Å; A76-N100 HydrophobicContact CB-CB 4.48Å; A76-M101 HydrophobicContact CB-CG 4.32Å
77	K	96.5	Very high	97.4	Very high	112 Å²	112	46 Å²	46	49%	0.487	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.4	-23.8	172.3	-67.3	173.8	174.1	167.7	0	112	W53 T56 D74 I75 H79	W53-K77 HydrophobicContact CB-CD 4.25Å; W53-K77 WeakPolarHBondContact O-CB 3.46Å; T56-K77 WeakPolarHBondContact CG2-O 3.25Å; D74-K77 HydrophobicContact CB-CD 4.32Å; D74-K77 VanDerWaalsContact O-CB 3.26Å; D74-K77 WeakPolarHBondContact O-CB 3.45Å; D74-K77 WeakPolarHBondContact O-CG 3.36Å; D74-K77 PolarHBondContact O-N 3.19Å; D74-K77 WeakPolarHBondContact OD1-CE 3.37Å; D74-K77 IonicContact OD1-NZ 3.85Å; D74-K77 PolarHBondContact OD1-NZ 3.09Å; I75-K77 PolarHBondContact O-N 3.06Å; I75-K77 VanDerWaalsContact O-N 3.14Å; K77-H79 PolarHBondContact O-N 2.69Å; K77-H79 PolarHBondContact O-ND1 3.09Å
78	L	97	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-80.6	54.9	175.9	-53.4	-176.5	0	0	0	111.2	W53 L55 L61 I75 A76 N80 L81 M101	W53-L78 HydrophobicContact CE3-CD1 3.95Å; W53-L78 HydrophobicContact CE3-CG 4.4Å; W53-L78 HydrophobicContact CZ3-CD1 4.18Å; L55-L78 WeakPolarHBondContact O-CD2 3.16Å; L61-L78 HydrophobicContact CD2-CD1 3.75Å; I75-L78 WeakPolarHBondContact O-CB 3.42Å; I75-L78 PolarHBondContact O-N 3.47Å; A76-L78 PolarHBondContact O-N 2.93Å; L78-N80 PolarHBondContact O-N 3.13Å; L78-N80 VanDerWaalsContact O-N 3.08Å; L78-L81 HydrophobicContact CB-CD1 3.55Å; L78-L81 HydrophobicContact CB-CG 3.81Å; L78-L81 HydrophobicContact CD1-CD1 3.64Å; L78-L81 HydrophobicContact CD1-CG 4.45Å; L78-L81 HydrophobicContact CG-CD1 4.26Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.17Å; L78-M101 HydrophobicContact CB-CE 4.5Å
79	H	93.2	Very high	97.4	Very high	102 Å²	102	42.9 Å²	42.9	47%	0.472	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.7	-173.7	57.7	-87.9	0	0	0	114.9	K77 S103	K77-H79 PolarHBondContact O-N 2.69Å; K77-H79 PolarHBondContact O-ND1 3.09Å; H79-S103 WeakPolarHBondContact O-CB 3.32Å; H79-S103 PolarHBondContact O-OG 3.16Å
80	N	96.5	Very high	97.4	Very high	71 Å²	71	44 Å²	44	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.4	174.4	-64.3	-52.2	0	0	0	113.3	T56 L58 L78 V82	T56-N80 PolarHBondContact O-ND2 3.05Å; L58-N80 CarbonylContact O-C 3.53Å; L58-N80 VanDerWaalsContact O-C 3.3Å; L78-N80 PolarHBondContact O-N 3.13Å; L78-N80 VanDerWaalsContact O-N 3.08Å; N80-V82 PolarHBondContact O-N 3.24Å
81	L	98.2	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.			trans	-66.2	123.6	179.2	-82	179.1	0	0	0	111.6	L58 T59 L61 L78 M101 S103 L104	L58-L81 HydrophobicContact CB-CD2 3.99Å; L58-L81 PolarHBondContact O-N 3.48Å; T59-L81 VanDerWaalsContact C-CD2 3.44Å; L61-L81 HydrophobicContact CB-CD1 3.97Å; L61-L81 HydrophobicContact CB-CD2 3.81Å; L61-L81 HydrophobicContact CD2-CD1 4.2Å; L78-L81 HydrophobicContact CB-CD1 3.55Å; L78-L81 HydrophobicContact CB-CG 3.81Å; L78-L81 HydrophobicContact CD1-CD1 3.64Å; L78-L81 HydrophobicContact CD1-CG 4.45Å; L78-L81 HydrophobicContact CG-CD1 4.26Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.17Å; L81-M101 HydrophobicContact CB-CE 3.74Å; L81-M101 HydrophobicContact CD1-CE 3.54Å; L81-M101 HydrophobicContact CG-CE 4.2Å; L81-S103 CarbonylContact O-C 3.2Å; L81-S103 PolarHBondContact O-OG 3.09Å; L81-S103 VanDerWaalsContact O-OG 3.05Å; L81-L104 HydrophobicContact CB-CD2 4.11Å; L81-L104 WeakPolarHBondContact O-CA 3.33Å; L81-L104 WeakPolarHBondContact O-CD2 3.5Å; L81-L104 PolarHBondContact O-N 2.95Å
82	V	98.6	Very high	97.6	Very high	55 Å²	55	42 Å²	42	33%	0.333	21%	0.21	S	C	.	.	S	Bend	trans	-98.7	-32.2	173.4	179	0	0	0	0	110.6	T59 N80 R105 E106	T59-V82 PolarHBondContact O-N 3.02Å; N80-V82 PolarHBondContact O-N 3.24Å; V82-R105 HydrophobicContact CG1-CB 3.85Å; V82-R105 HydrophobicContact CG1-CG 3.81Å; V82-R105 PolarHBondContact O-N 2.87Å; V82-E106 PolarHBondContact O-N 3.38Å
83	Y	98.7	Very high	97.6	Very high	47 Å²	47	43.5 Å²	43.5	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.5	-178.7	-179.1	-78.6	0	0	0	110.9	T59 A60 L61 H62 D85 E106 L108	T59-Y83 PolarHBondContact O-N 3Å; T59-Y83 VanDerWaalsContact O-N 3.08Å; A60-Y83 WeakPolarHBondContact CA-O 3.23Å; A60-Y83 HydrophobicContact CB-CD1 4.25Å; A60-Y83 HydrophobicContact CB-CG 4.47Å; L61-Y83 PolarHBondContact N-O 3.44Å; H62-Y83 AromaticContact CE1-CD1 3.64Å; H62-Y83 AromaticContact CE1-CE1 3.09Å; H62-Y83 WeakPolarHBondContact CE1-CE1 3.37Å; H62-Y83 AromaticContact CE1-CZ 3.77Å; H62-Y83 AromaticContact ND1-CE1 3.48Å; H62-Y83 WeakPolarHBondContact ND1-CE1 3.33Å; H62-Y83 AromaticContact NE2-CD1 3.94Å; H62-Y83 AromaticContact NE2-CE1 3.85Å; Y83-D85 HydrophobicContact CE1-CB 3.59Å; Y83-D85 PolarHBondContact OH-OD2 3.07Å; Y83-E106 HydrophobicContact CD2-CB 3.64Å; Y83-E106 HydrophobicContact CD2-CG 4.25Å; Y83-E106 HydrophobicContact CE2-CB 4.16Å; Y83-E106 HydrophobicContact CG-CB 4.43Å; Y83-L108 HydrophobicContact CE2-CD1 4.23Å; Y83-L108 VanDerWaalsContact OH-CD1 3.28Å; Y83-L108 WeakPolarHBondContact OH-CD1 3.33Å
84	L	98.7	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.5	174.7	175.5	59.2	0	0	0	110.7	L61 I75 L86 L98 M101 L104 E106 L107 L108	L61-L84 HydrophobicContact CB-CD1 4.08Å; L61-L84 HydrophobicContact CD2-CD1 4.11Å; L61-L84 HydrophobicContact CG-CD1 4.13Å; I75-L84 HydrophobicContact CD1-CD1 4.15Å; I75-L84 HydrophobicContact CD1-CD2 3.61Å; L84-L86 HydrophobicContact CD1-CD1 4.37Å; L84-L86 HydrophobicContact CD1-CG 4.07Å; L84-L86 HydrophobicContact CD2-CD1 3.95Å; L84-L86 HydrophobicContact CG-CD1 4.08Å; L84-L86 HydrophobicContact CG-CG 4.12Å; L84-L98 HydrophobicContact CD2-CD1 3.95Å; L84-M101 HydrophobicContact CD2-CE 4.37Å; L84-L104 HydrophobicContact CB-CD2 3.82Å; L84-E106 PolarHBondContact N-O 3.14Å; L84-L107 HydrophobicContact CB-CD1 4.16Å; L84-L107 HydrophobicContact CD2-CD1 3.86Å; L84-L107 HydrophobicContact CG-CD1 4.02Å; L84-L107 WeakPolarHBondContact O-CA 3.46Å; L84-L108 PolarHBondContact O-N 3.04Å
85	D	98.7	Very high	97.7	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.6	174.7	-165.8	-6.8	0	0	0	111.9	L61 L63 N64 Y83 S87 L108	L61-D85 PolarHBondContact O-N 2.99Å; L63-D85 CarbonylContact C-O 3.59Å; L63-D85 WeakPolarHBondContact CA-O 3.48Å; L63-D85 WeakPolarHBondContact CB-O 3.35Å; L63-D85 PolarHBondContact N-O 2.91Å; N64-D85 PolarHBondContact N-O 3.3Å; Y83-D85 HydrophobicContact CE1-CB 3.59Å; Y83-D85 PolarHBondContact OH-OD2 3.07Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.81Å; D85-S87 PolarHBondContact OD1-OG 3.22Å; D85-L108 HydrophobicContact CB-CB 4.26Å; D85-L108 HydrophobicContact CB-CD1 4.39Å; D85-L108 WeakPolarHBondContact OD1-CB 3.41Å
86	L	98.6	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.			trans	-118.1	13.9	177.9	-72.9	168.2	0	0	0	111.2	L63 I71 L84 N89 L91 L108 L109 N112	L63-L86 HydrophobicContact CB-CD2 3.88Å; L63-L86 HydrophobicContact CD1-CD2 3.68Å; L63-L86 HydrophobicContact CG-CD2 4.41Å; I71-L86 HydrophobicContact CD1-CD2 3.51Å; I71-L86 HydrophobicContact CG1-CD1 4.07Å; I71-L86 HydrophobicContact CG1-CD2 3.76Å; L84-L86 HydrophobicContact CD1-CD1 4.37Å; L84-L86 HydrophobicContact CD1-CG 4.07Å; L84-L86 HydrophobicContact CD2-CD1 3.95Å; L84-L86 HydrophobicContact CG-CD1 4.08Å; L84-L86 HydrophobicContact CG-CG 4.12Å; L86-N89 PolarHBondContact O-ND2 3.47Å; L86-L91 HydrophobicContact CB-CD1 4.03Å; L86-L91 HydrophobicContact CD1-CD1 4.26Å; L86-L91 HydrophobicContact CD2-CD1 4.37Å; L86-L91 HydrophobicContact CG-CD1 4.48Å; L86-L108 CarbonylContact C-O 3.52Å; L86-L108 WeakPolarHBondContact CA-O 3.34Å; L86-L108 PolarHBondContact N-O 3.07Å; L86-L109 HydrophobicContact CB-CD2 3.94Å; L86-L109 HydrophobicContact CD1-CD2 3.89Å; L86-N112 PolarHBondContact O-ND2 2.98Å
87	S	98.6	Very high	97.7	Very high	12 Å²	12	43.3 Å²	43.3	8%	0.084	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	155.3	-176.2	-55.8	0	0	0	0	112.5	N64 D65 D85 N89 L108 N110	N64-S87 CarbonylContact C-O 3.43Å; N64-S87 WeakPolarHBondContact CA-O 3Å; D65-S87 PolarHBondContact N-O 3.44Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.81Å; D85-S87 PolarHBondContact OD1-OG 3.22Å; S87-N89 PolarHBondContact O-N 3.16Å; S87-N89 PolarHBondContact O-ND2 2.95Å; S87-L108 PolarHBondContact N-O 3.35Å; S87-L108 WeakPolarHBondContact OG-CB 3.3Å; S87-N110 CarbonylContact C-O 3.15Å; S87-N110 WeakPolarHBondContact CA-O 3.13Å; S87-N110 PolarHBondContact OG-N 3.31Å
88	S	98.4	Very high	97.7	Very high	34 Å²	34	38 Å²	38	24%	0.238	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	27	176	-56	0	0	0	0	115.1	D65 N110	D65-S88 WeakPolarHBondContact OD1-CB 3.35Å; D65-S88 PolarHBondContact OD1-OG 3.12Å; D65-S88 VanDerWaalsContact OD1-OG 3.13Å; S88-N110 PolarHBondContact N-O 3.41Å
89	N	98.6	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-92.7	-157.4	174.2	-84.5	-77.7	0	0	0	111.8	L63 N66 L68 L86 S87 L91 N112	L63-N89 PolarHBondContact O-ND2 3.11Å; N66-N89 WeakPolarHBondContact CA-OD1 3.45Å; N66-N89 WeakPolarHBondContact CB-OD1 3.47Å; N66-N89 WeakPolarHBondContact O-CA 3.43Å; N66-N89 PolarHBondContact O-OD1 2.94Å; N66-N89 VanDerWaalsContact O-OD1 3.13Å; L68-N89 HydrophobicContact CB-CB 4.35Å; L68-N89 VanDerWaalsContact CB-OD1 3.25Å; L68-N89 WeakPolarHBondContact CB-OD1 3.49Å; L68-N89 WeakPolarHBondContact CG-OD1 3.47Å; L68-N89 PolarHBondContact N-OD1 3.12Å; L86-N89 PolarHBondContact O-ND2 3.47Å; S87-N89 PolarHBondContact O-N 3.16Å; S87-N89 PolarHBondContact O-ND2 2.95Å; N89-L91 HydrophobicContact CB-CG 4.04Å; N89-N112 VanDerWaalsContact CA-OD1 3.28Å; N89-N112 WeakPolarHBondContact CA-OD1 3.32Å; N89-N112 WeakPolarHBondContact CB-OD1 3.46Å; N89-N112 PolarHBondContact N-OD1 3.08Å
90	K	98.2	Very high	97.8	Very high	94 Å²	94	35.1 Å²	35.1	41%	0.409	18%	0.182	S	C	.	.			trans	-126.3	27.6	177.6	-53.7	-68.1	158.3	-110.8	0	111	L68 N112	L68-K90 CarbonylContact O-C 3.26Å; L68-K90 VanDerWaalsContact O-C 3.26Å; L68-K90 WeakPolarHBondContact O-CA 3.38Å; L68-K90 PolarHBondContact O-N 2.96Å; K90-N112 PolarHBondContact N-OD1 2.99Å
91	L	98.5	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.			trans	-67	130.3	-176.2	-57	177.3	0	0	0	110.6	L68 I71 L86 N89 L94 N112 L113 L114	L68-L91 HydrophobicContact CB-CD2 4.17Å; L68-L91 PolarHBondContact O-N 3.08Å; I71-L91 HydrophobicContact CD1-CD2 4.48Å; I71-L91 HydrophobicContact CG1-CD1 4.13Å; I71-L91 HydrophobicContact CG1-CD2 3.91Å; L86-L91 HydrophobicContact CB-CD1 4.03Å; L86-L91 HydrophobicContact CD1-CD1 4.26Å; L86-L91 HydrophobicContact CD2-CD1 4.37Å; L86-L91 HydrophobicContact CG-CD1 4.48Å; N89-L91 HydrophobicContact CB-CG 4.04Å; L91-L94 HydrophobicContact CD1-CD2 4.11Å; L91-N112 HydrophobicContact CB-CB 4.22Å; L91-N112 WeakPolarHBondContact CB-OD1 3.49Å; L91-N112 WeakPolarHBondContact CG-OD1 3.42Å; L91-N112 PolarHBondContact N-OD1 3.45Å; L91-L113 CarbonylContact O-C 3.55Å; L91-L113 WeakPolarHBondContact O-CA 3.12Å; L91-L113 WeakPolarHBondContact O-CB 3.12Å; L91-L113 PolarHBondContact O-N 2.75Å; L91-L114 HydrophobicContact CB-CD2 4.12Å; L91-L114 PolarHBondContact O-N 3.47Å
92	R	98.2	Very high	97.6	Very high	163 Å²	163	32.7 Å²	32.7	62%	0.615	17%	0.169	S	C	*	.	S	Bend	trans	-104	-22.4	177.4	-68.3	175.9	178.1	-93.7	0.5	113.4	L113	R92-L113 HydrophobicContact CG-CB 4.01Å; R92-L113 HydrophobicContact CG-CD1 4.43Å
93	S	97.6	Very high	97.5	Very high	67 Å²	67	31.2 Å²	31.2	47%	0.469	16%	0.161	S	C	.	.			trans	-148.2	165	176.9	56.8	0	0	0	0	109
94	L	98.2	Very high	97.5	Very high	15 Å²	15	29 Å²	29	8%	0.079	15%	0.153	C	C	.	.			trans	-116.3	147.2	171.2	-59.6	171	0	0	0	108.6	L91 L98 L109 L114 L117 P118 L121	L91-L94 HydrophobicContact CD1-CD2 4.11Å; L94-L98 HydrophobicContact CB-CD2 4.1Å; L94-L98 HydrophobicContact CD1-CD2 3.95Å; L94-L98 HydrophobicContact CD2-CD2 4.25Å; L94-L98 HydrophobicContact CG-CD2 4.31Å; L94-L109 HydrophobicContact CD1-CD1 3.58Å; L94-L109 HydrophobicContact CD1-CD2 4.02Å; L94-L109 HydrophobicContact CD1-CG 4.46Å; L94-L109 HydrophobicContact CD2-CD2 3.7Å; L94-L109 HydrophobicContact CG-CD2 4.5Å; L94-L114 HydrophobicContact CD1-CD1 4.03Å; L94-L114 HydrophobicContact CD2-CD1 4.5Å; L94-L114 HydrophobicContact CD2-CD2 4.17Å; L94-L114 HydrophobicContact CG-CD1 4.26Å; L94-L114 HydrophobicContact CG-CD2 3.89Å; L94-L117 HydrophobicContact CD1-CD2 4.02Å; L94-P118 HydrophobicContact CB-CG 4.01Å; L94-L121 HydrophobicContact CD1-CD1 4.23Å
95	P	97.5	Very high	97.5	Very high	15 Å²	15	34.5 Å²	34.5	10%	0.097	17%	0.174	C	C	.	.			trans	-65.9	144.8	171.3	28.6	-32.9	0	0	0	110.4	I71 P73 I75 E97 L98	I71-P95 HydrophobicContact CG2-CG 4.31Å; P73-P95 HydrophobicContact CG-CB 4.27Å; I75-P95 HydrophobicContact CG2-CG 4.2Å; P95-E97 WeakPolarHBondContact CB-OE2 3.25Å; P95-E97 PolarHBondContact O-N 3.46Å; P95-L98 HydrophobicContact CG-CB 4.41Å; P95-L98 VanDerWaalsContact O-CB 3.25Å; P95-L98 WeakPolarHBondContact O-CB 3.45Å; P95-L98 PolarHBondContact O-N 2.94Å
96	A	96.5	Very high	97.5	Very high	34 Å²	34	37.3 Å²	37.3	28%	0.281	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33.4	176.8	0	0	0	0	0	111.4	L98 G99 E120	A96-L98 PolarHBondContact O-N 2.96Å; A96-G99 PolarHBondContact O-N 3.24Å; A96-E120 HydrophobicContact CB-CB 4.41Å; A96-E120 HydrophobicContact CB-CG 3.91Å; A96-E120 WeakPolarHBondContact O-CB 3.33Å
97	E	96.6	Very high	97.5	Very high	72 Å²	72	37.3 Å²	37.3	34%	0.336	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-62.4	-16.3	179.5	-60.7	83.6	168.9	0	0	113.1	P73 A76 P95 G99 N100	P73-E97 HydrophobicContact CB-CB 4.38Å; P73-E97 VanDerWaalsContact CB-CD 3.46Å; P73-E97 HydrophobicContact CB-CG 3.96Å; A76-E97 HydrophobicContact CB-CB 3.77Å; A76-E97 VanDerWaalsContact CB-O 3.28Å; A76-E97 WeakPolarHBondContact CB-O 3.31Å; P95-E97 WeakPolarHBondContact CB-OE2 3.25Å; P95-E97 PolarHBondContact O-N 3.46Å; E97-G99 PolarHBondContact O-N 3.24Å; E97-N100 VanDerWaalsContact O-CB 3.3Å; E97-N100 WeakPolarHBondContact O-CB 3.39Å; E97-N100 PolarHBondContact O-N 3.03Å
98	L	97.2	Very high	97.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-57.5	-30	170.2	-171.2	59.3	0	0	0	111.6	I75 L84 L94 P95 A96 N100 M101 L104 L107 L121	I75-L98 HydrophobicContact CG2-CD1 4.43Å; L84-L98 HydrophobicContact CD2-CD1 3.95Å; L94-L98 HydrophobicContact CB-CD2 4.1Å; L94-L98 HydrophobicContact CD1-CD2 3.95Å; L94-L98 HydrophobicContact CD2-CD2 4.25Å; L94-L98 HydrophobicContact CG-CD2 4.31Å; P95-L98 HydrophobicContact CG-CB 4.41Å; P95-L98 VanDerWaalsContact O-CB 3.25Å; P95-L98 WeakPolarHBondContact O-CB 3.45Å; P95-L98 PolarHBondContact O-N 2.94Å; A96-L98 PolarHBondContact O-N 2.96Å; L98-N100 PolarHBondContact O-N 3.38Å; L98-M101 HydrophobicContact CD1-SD 3.6Å; L98-M101 PolarHBondContact O-N 2.89Å; L98-L104 HydrophobicContact CD1-CD1 4.4Å; L98-L107 HydrophobicContact CD2-CD2 4.09Å; L98-L107 HydrophobicContact CG-CD2 4.47Å; L98-L121 HydrophobicContact CB-CD2 4.32Å; L98-L121 HydrophobicContact CD2-CD2 3.88Å; L98-L121 HydrophobicContact CG-CD2 3.91Å
99	G	96.1	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65.8	-17.1	173.4	0	0	0	0	0	114.9	A96 E97 M101 E120 R123 L124	A96-G99 PolarHBondContact O-N 3.24Å; E97-G99 PolarHBondContact O-N 3.24Å; G99-M101 VanDerWaalsContact C-N 3.29Å; G99-E120 WeakPolarHBondContact CA-O 3.46Å; G99-R123 VanDerWaalsContact O-CB 3.31Å; G99-R123 WeakPolarHBondContact O-CB 3.48Å; G99-L124 WeakPolarHBondContact O-CD2 3.17Å
100	N	95.2	Very high	97.5	Very high	40 Å²	40	38.1 Å²	38.1	21%	0.214	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-82.6	-9.8	179.1	-59.2	-19.6	0	0	0	112.5	A76 E97 L98 V102 R123 N516	A76-N100 HydrophobicContact CB-CB 4.48Å; E97-N100 VanDerWaalsContact O-CB 3.3Å; E97-N100 WeakPolarHBondContact O-CB 3.39Å; E97-N100 PolarHBondContact O-N 3.03Å; L98-N100 PolarHBondContact O-N 3.38Å; N100-V102 PolarHBondContact O-N 3.2Å; N100-R123 PolarHBondContact OD1-NH1 3.32Å; N100-N516 PolarHBondContact ND2-OD1 3.42Å; N100-N516 WeakPolarHBondContact OD1-CB 3.45Å; N100-N516 VanDerWaalsContact OD1-CG 3.27Å; N100-N516 PolarHBondContact OD1-OD1 3.18Å
101	M	96.8	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.			trans	-82.9	56.7	179.8	-61.2	176.4	64.2	0	0	111.3	I75 A76 L78 L81 L84 L98 G99 S103 L104 L124	I75-M101 HydrophobicContact CG1-CE 4.38Å; I75-M101 HydrophobicContact CG1-SD 4.11Å; I75-M101 HydrophobicContact CG2-SD 4.19Å; A76-M101 HydrophobicContact CB-CG 4.32Å; L78-M101 HydrophobicContact CB-CE 4.5Å; L81-M101 HydrophobicContact CB-CE 3.74Å; L81-M101 HydrophobicContact CD1-CE 3.54Å; L81-M101 HydrophobicContact CG-CE 4.2Å; L84-M101 HydrophobicContact CD2-CE 4.37Å; L98-M101 HydrophobicContact CD1-SD 3.6Å; L98-M101 PolarHBondContact O-N 2.89Å; G99-M101 VanDerWaalsContact C-N 3.29Å; M101-S103 PolarHBondContact O-N 3.35Å; M101-L104 HydrophobicContact CB-CD1 3.62Å; M101-L104 HydrophobicContact CB-CG 3.93Å; M101-L104 HydrophobicContact CE-CD1 4.08Å; M101-L104 HydrophobicContact CE-CD2 4.39Å; M101-L104 HydrophobicContact CE-CG 4.3Å; M101-L104 WeakPolarHBondContact O-CB 3.27Å; M101-L104 WeakPolarHBondContact O-CG 3.24Å; M101-L104 PolarHBondContact O-N 3.06Å; M101-L104 HydrophobicContact SD-CD1 4.32Å; M101-L124 VanDerWaalsContact O-CD2 3.26Å; M101-L124 WeakPolarHBondContact O-CD2 3.29Å
102	V	95.2	Very high	97.5	Very high	20 Å²	20	38 Å²	38	12%	0.121	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	-170	-64.6	0	0	0	0	115.3	N100 L104 F125 Q126 F482 T518	N100-V102 PolarHBondContact O-N 3.2Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-F125 HydrophobicContact CB-CE1 4.11Å; V102-F125 HydrophobicContact CG1-CE1 4.25Å; V102-Q126 WeakPolarHBondContact O-CB 3.15Å; V102-Q126 WeakPolarHBondContact O-CG 3.24Å; V102-Q126 PolarHBondContact O-OE1 3.05Å; V102-F482 HydrophobicContact CB-CE2 4.4Å; V102-F482 HydrophobicContact CG2-CE2 3.69Å; V102-T518 HydrophobicContact CG1-CG2 4.03Å; V102-T518 HydrophobicContact CG2-CG2 4.29Å
103	S	96.1	Very high	97.6	Very high	24 Å²	24	33.5 Å²	33.5	17%	0.168	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.7	172.9	51.4	0	0	0	0	113.9	H79 L81 M101 R105	H79-S103 WeakPolarHBondContact O-CB 3.32Å; H79-S103 PolarHBondContact O-OG 3.16Å; L81-S103 CarbonylContact O-C 3.2Å; L81-S103 PolarHBondContact O-OG 3.09Å; L81-S103 VanDerWaalsContact O-OG 3.05Å; M101-S103 PolarHBondContact O-N 3.35Å; S103-R105 PolarHBondContact O-N 3.4Å
104	L	98.3	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.			trans	-61.7	129.6	179.3	-78.4	172.6	0	0	0	111.2	L81 L84 L98 M101 V102 L124 Q126 L127	L81-L104 HydrophobicContact CB-CD2 4.11Å; L81-L104 WeakPolarHBondContact O-CA 3.33Å; L81-L104 WeakPolarHBondContact O-CD2 3.5Å; L81-L104 PolarHBondContact O-N 2.95Å; L84-L104 HydrophobicContact CB-CD2 3.82Å; L98-L104 HydrophobicContact CD1-CD1 4.4Å; M101-L104 HydrophobicContact CB-CD1 3.62Å; M101-L104 HydrophobicContact CB-CG 3.93Å; M101-L104 HydrophobicContact CE-CD1 4.08Å; M101-L104 HydrophobicContact CE-CD2 4.39Å; M101-L104 HydrophobicContact CE-CG 4.3Å; M101-L104 WeakPolarHBondContact O-CB 3.27Å; M101-L104 WeakPolarHBondContact O-CG 3.24Å; M101-L104 PolarHBondContact O-N 3.06Å; M101-L104 HydrophobicContact SD-CD1 4.32Å; V102-L104 VanDerWaalsContact C-N 3.32Å; L104-L124 HydrophobicContact CD1-CD1 4.28Å; L104-Q126 CarbonylContact O-C 3.58Å; L104-L127 HydrophobicContact CB-CD1 3.92Å; L104-L127 WeakPolarHBondContact O-CA 3.43Å; L104-L127 PolarHBondContact O-N 3.35Å
105	R	98.4	Very high	97.6	Very high	117 Å²	117	37.4 Å²	37.4	44%	0.442	18%	0.182	S	C	.	.	S	Bend	trans	-108.9	-30.2	171.3	-64.8	-176.3	-177	-138.8	-2.4	112	V82 S103 Q128 T129	V82-R105 HydrophobicContact CG1-CB 3.85Å; V82-R105 HydrophobicContact CG1-CG 3.81Å; V82-R105 PolarHBondContact O-N 2.87Å; S103-R105 PolarHBondContact O-N 3.4Å; R105-Q128 PolarHBondContact O-N 2.71Å; R105-T129 PolarHBondContact O-N 3.37Å
106	E	98.7	Very high	97.5	Very high	75 Å²	75	41.6 Å²	41.6	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121.5	178.2	-59.2	-168	-140	0	0	111.1	V82 Y83 L84 T129	V82-E106 PolarHBondContact O-N 3.38Å; Y83-E106 HydrophobicContact CD2-CB 3.64Å; Y83-E106 HydrophobicContact CD2-CG 4.25Å; Y83-E106 HydrophobicContact CE2-CB 4.16Å; Y83-E106 HydrophobicContact CG-CB 4.43Å; L84-E106 PolarHBondContact N-O 3.14Å; E106-T129 WeakPolarHBondContact CA-O 3.48Å
107	L	98.7	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	106.3	177.1	175	58.2	0	0	0	109	L84 L98 L109 L121 L124 L127 T129 L130 G131	L84-L107 HydrophobicContact CB-CD1 4.16Å; L84-L107 HydrophobicContact CD2-CD1 3.86Å; L84-L107 HydrophobicContact CG-CD1 4.02Å; L84-L107 WeakPolarHBondContact O-CA 3.46Å; L98-L107 HydrophobicContact CD2-CD2 4.09Å; L98-L107 HydrophobicContact CG-CD2 4.47Å; L107-L109 HydrophobicContact CD1-CD1 4.33Å; L107-L109 HydrophobicContact CD1-CD2 4.3Å; L107-L109 HydrophobicContact CD1-CG 4.11Å; L107-L109 HydrophobicContact CD2-CD1 3.97Å; L107-L109 HydrophobicContact CG-CD1 3.88Å; L107-L109 HydrophobicContact CG-CG 4.05Å; L107-L121 HydrophobicContact CD2-CD2 4.07Å; L107-L124 HydrophobicContact CD2-CD1 4.1Å; L107-L127 HydrophobicContact CB-CD1 3.76Å; L107-L127 HydrophobicContact CB-CD2 4.19Å; L107-T129 PolarHBondContact N-O 3.22Å; L107-L130 HydrophobicContact CB-CD1 4.25Å; L107-L130 HydrophobicContact CD2-CD1 4.05Å; L107-L130 HydrophobicContact CG-CD1 4.1Å; L107-L130 CarbonylContact O-C 3.57Å; L107-L130 WeakPolarHBondContact O-CA 3.2Å; L107-G131 PolarHBondContact O-N 3.42Å
108	L	98.8	Very high	97.6	Very high	27 Å²	27	38.2 Å²	38.2	14%	0.141	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	-177.5	-53.4	-176.6	0	0	0	110.2	Y83 L84 D85 L86 S87 T129	Y83-L108 HydrophobicContact CE2-CD1 4.23Å; Y83-L108 VanDerWaalsContact OH-CD1 3.28Å; Y83-L108 WeakPolarHBondContact OH-CD1 3.33Å; L84-L108 PolarHBondContact O-N 3.04Å; D85-L108 HydrophobicContact CB-CB 4.26Å; D85-L108 HydrophobicContact CB-CD1 4.39Å; D85-L108 WeakPolarHBondContact OD1-CB 3.41Å; L86-L108 CarbonylContact C-O 3.52Å; L86-L108 WeakPolarHBondContact CA-O 3.34Å; L86-L108 PolarHBondContact N-O 3.07Å; S87-L108 PolarHBondContact N-O 3.35Å; S87-L108 WeakPolarHBondContact OG-CB 3.3Å; L108-T129 HydrophobicContact CD2-CG2 3.97Å
109	L	98.6	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.			trans	-126.4	17	-175.5	-64.7	161	0	0	0	111.6	L86 L94 L107 N112 L114 L130 G131 L132 N135	L86-L109 HydrophobicContact CB-CD2 3.94Å; L86-L109 HydrophobicContact CD1-CD2 3.89Å; L94-L109 HydrophobicContact CD1-CD1 3.58Å; L94-L109 HydrophobicContact CD1-CD2 4.02Å; L94-L109 HydrophobicContact CD1-CG 4.46Å; L94-L109 HydrophobicContact CD2-CD2 3.7Å; L94-L109 HydrophobicContact CG-CD2 4.5Å; L107-L109 HydrophobicContact CD1-CD1 4.33Å; L107-L109 HydrophobicContact CD1-CD2 4.3Å; L107-L109 HydrophobicContact CD1-CG 4.11Å; L107-L109 HydrophobicContact CD2-CD1 3.97Å; L107-L109 HydrophobicContact CG-CD1 3.88Å; L107-L109 HydrophobicContact CG-CG 4.05Å; L109-N112 PolarHBondContact O-ND2 2.79Å; L109-L114 HydrophobicContact CB-CD1 4.09Å; L109-L114 HydrophobicContact CD1-CD1 4.35Å; L109-L114 HydrophobicContact CD2-CD1 4.42Å; L109-L130 HydrophobicContact CD1-CD1 4.08Å; L109-G131 CarbonylContact C-O 3.53Å; L109-G131 WeakPolarHBondContact CA-O 3.48Å; L109-G131 VanDerWaalsContact CB-O 3.25Å; L109-G131 WeakPolarHBondContact CB-O 3.15Å; L109-G131 PolarHBondContact N-O 2.87Å; L109-L132 HydrophobicContact CB-CD2 4.25Å; L109-L132 HydrophobicContact CD1-CD2 3.99Å; L109-N135 PolarHBondContact O-ND2 3.44Å
110	N	98.5	Very high	97.7	Very high	37 Å²	37	45.4 Å²	45.4	20%	0.198	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	151.4	-172.5	-57.9	-71.2	0	0	0	111.5	S87 S88 N112 G131 L132 K133	S87-N110 CarbonylContact C-O 3.15Å; S87-N110 WeakPolarHBondContact CA-O 3.13Å; S87-N110 PolarHBondContact OG-N 3.31Å; S88-N110 PolarHBondContact N-O 3.41Å; N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 3.19Å; N110-N112 PolarHBondContact O-ND2 2.93Å; N110-G131 PolarHBondContact N-O 3.49Å; N110-G131 VanDerWaalsContact OD1-C 3.24Å; N110-G131 WeakPolarHBondContact OD1-CA 3.3Å; N110-L132 PolarHBondContact OD1-N 2.98Å; N110-K133 CarbonylContact C-O 3.57Å; N110-K133 WeakPolarHBondContact CA-O 3.32Å; N110-K133 WeakPolarHBondContact OD1-CB 3.42Å; N110-K133 PolarHBondContact OD1-N 3.46Å
111	N	98.5	Very high	97.8	Very high	88 Å²	88	43.6 Å²	43.6	47%	0.471	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	43.5	173.6	-52.4	-44.4	0	0	0	114.1	K133	N111-K133 PolarHBondContact N-O 3.22Å
112	N	98.7	Very high	97.8	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-106.4	-168	169.9	-83.6	-73.8	0	0	0	110.5	L86 N89 K90 L91 L109 N110 L114 N135	L86-N112 PolarHBondContact O-ND2 2.98Å; N89-N112 VanDerWaalsContact CA-OD1 3.28Å; N89-N112 WeakPolarHBondContact CA-OD1 3.32Å; N89-N112 WeakPolarHBondContact CB-OD1 3.46Å; N89-N112 PolarHBondContact N-OD1 3.08Å; K90-N112 PolarHBondContact N-OD1 2.99Å; L91-N112 HydrophobicContact CB-CB 4.22Å; L91-N112 WeakPolarHBondContact CB-OD1 3.49Å; L91-N112 WeakPolarHBondContact CG-OD1 3.42Å; L91-N112 PolarHBondContact N-OD1 3.45Å; L109-N112 PolarHBondContact O-ND2 2.79Å; N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 3.19Å; N110-N112 PolarHBondContact O-ND2 2.93Å; N112-L114 HydrophobicContact CB-CD1 4.47Å; N112-L114 HydrophobicContact CB-CG 4.1Å; N112-N135 VanDerWaalsContact CA-OD1 3.23Å; N112-N135 WeakPolarHBondContact CA-OD1 2.81Å; N112-N135 WeakPolarHBondContact CB-OD1 2.83Å; N112-N135 PolarHBondContact N-OD1 3.38Å; N112-N135 PolarHBondContact O-OD1 2.87Å
113	L	98.4	Very high	97.8	Very high	67 Å²	67	45.3 Å²	45.3	35%	0.351	21%	0.213	S	C	.	.			trans	-114.1	28.9	179.8	-57.7	174.5	0	0	0	111.4	L91 R92 R115 N135	L91-L113 CarbonylContact O-C 3.55Å; L91-L113 WeakPolarHBondContact O-CA 3.12Å; L91-L113 WeakPolarHBondContact O-CB 3.12Å; L91-L113 PolarHBondContact O-N 2.75Å; R92-L113 HydrophobicContact CG-CB 4.01Å; R92-L113 HydrophobicContact CG-CD1 4.43Å; L113-R115 PolarHBondContact O-N 3.28Å; L113-N135 PolarHBondContact N-OD1 3.29Å
114	L	98.4	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.			trans	-69.5	122.1	-177.5	-58.1	173.5	0	0	0	110.6	L91 L94 L109 N112 L117 N135 P136 L137	L91-L114 HydrophobicContact CB-CD2 4.12Å; L91-L114 PolarHBondContact O-N 3.47Å; L94-L114 HydrophobicContact CD1-CD1 4.03Å; L94-L114 HydrophobicContact CD2-CD1 4.5Å; L94-L114 HydrophobicContact CD2-CD2 4.17Å; L94-L114 HydrophobicContact CG-CD1 4.26Å; L94-L114 HydrophobicContact CG-CD2 3.89Å; L109-L114 HydrophobicContact CB-CD1 4.09Å; L109-L114 HydrophobicContact CD1-CD1 4.35Å; L109-L114 HydrophobicContact CD2-CD1 4.42Å; N112-L114 HydrophobicContact CB-CD1 4.47Å; N112-L114 HydrophobicContact CB-CG 4.1Å; L114-L117 HydrophobicContact CD1-CD2 4.04Å; L114-N135 HydrophobicContact CB-CB 4.13Å; L114-N135 WeakPolarHBondContact CB-OD1 3.29Å; L114-N135 WeakPolarHBondContact CG-OD1 3.48Å; L114-N135 PolarHBondContact N-OD1 3.34Å; L114-N135 VanDerWaalsContact N-OD1 3.1Å; L114-P136 CarbonylContact O-C 3.28Å; L114-P136 VanDerWaalsContact O-C 3.28Å; L114-P136 WeakPolarHBondContact O-CD 3.28Å; L114-P136 WeakPolarHBondContact O-CG 3.45Å; L114-L137 HydrophobicContact CB-CD2 4.22Å; L114-L137 WeakPolarHBondContact O-CD2 3.45Å; L114-L137 PolarHBondContact O-N 3.21Å
115	R	97.6	Very high	97.7	Very high	165 Å²	165	46.9 Å²	46.9	62%	0.623	22%	0.217	S	C	*	.	S	Bend	trans	-100.7	-31.1	174.8	-67.5	-178.3	178.7	-86.7	2.1	113.1	L113 P136	L113-R115 PolarHBondContact O-N 3.28Å; R115-P136 WeakPolarHBondContact CA-O 3.39Å; R115-P136 HydrophobicContact CG-CG 4Å
116	V	96.6	Very high	97.5	Very high	103 Å²	103	43.7 Å²	43.7	62%	0.624	21%	0.207	S	C	*	.			trans	-133.9	150.9	178.5	-65.7	0	0	0	0	108.3
117	L	97.9	Very high	97.5	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	19%	0.192	C	C	.	.			trans	-113	137.3	173.5	-65.2	175.5	0	0	0	107.9	L94 L114 L121 L132 L137 I141 L154 M158	L94-L117 HydrophobicContact CD1-CD2 4.02Å; L114-L117 HydrophobicContact CD1-CD2 4.04Å; L117-L121 HydrophobicContact CB-CD1 4.16Å; L117-L121 HydrophobicContact CD2-CD1 4.25Å; L117-L132 HydrophobicContact CD1-CD1 3.7Å; L117-L132 HydrophobicContact CD1-CD2 3.96Å; L117-L132 HydrophobicContact CD2-CD2 4Å; L117-L137 HydrophobicContact CD1-CD1 4.19Å; L117-L137 HydrophobicContact CD1-CD2 4.2Å; L117-L137 HydrophobicContact CD2-CD2 4.19Å; L117-L137 HydrophobicContact CG-CD2 3.78Å; L117-I141 HydrophobicContact CD1-CG2 4.11Å; L117-L154 HydrophobicContact CD1-CD2 4.16Å; L117-M158 HydrophobicContact CB-CE 3.41Å; L117-M158 VanDerWaalsContact CB-CE 3.41Å; L117-M158 HydrophobicContact CD1-CE 3.61Å; L117-M158 HydrophobicContact CG-CE 4.13Å
118	P	97.3	Very high	97.3	Very high	22 Å²	22	46.5 Å²	46.5	14%	0.143	22%	0.22	C	C	.	.			trans	-65.3	137.9	174.2	25.2	-28.7	0	0	0	109.9	L94 E120 L121	L94-P118 HydrophobicContact CB-CG 4.01Å; P118-E120 VanDerWaalsContact CB-OE2 3.3Å; P118-E120 WeakPolarHBondContact CB-OE2 3.41Å; P118-E120 PolarHBondContact O-N 2.95Å; P118-L121 HydrophobicContact CG-CD1 4.44Å; P118-L121 HydrophobicContact CG-CG 4.16Å; P118-L121 WeakPolarHBondContact O-CB 3.42Å; P118-L121 PolarHBondContact O-N 2.91Å
119	Y	97.2	Very high	97.3	Very high	97 Å²	97	48 Å²	48	38%	0.38	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-66.4	-20.6	-178.2	-80.7	-105.1	0	0	0	111.7	L121 G122 F157 M158 N161	Y119-L121 PolarHBondContact O-N 3.28Å; Y119-L121 VanDerWaalsContact O-N 3.16Å; Y119-G122 PolarHBondContact O-N 2.94Å; Y119-F157 HydrophobicContact CE1-CE1 4.09Å; Y119-M158 HydrophobicContact CD1-CB 4.31Å; Y119-M158 HydrophobicContact CD1-CG 4.46Å; Y119-M158 WeakPolarHBondContact CD1-O 3.32Å; Y119-N161 HydrophobicContact CD1-CB 3.79Å; Y119-N161 HydrophobicContact CE1-CB 3.47Å; Y119-N161 VanDerWaalsContact CE1-CB 3.47Å
120	E	97	Very high	97.2	Very high	54 Å²	54	48.1 Å²	48.1	25%	0.252	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23	174.7	-66.2	81.6	175.7	0	0	112.6	A96 G99 P118 G122 R123 L162	A96-E120 HydrophobicContact CB-CB 4.41Å; A96-E120 HydrophobicContact CB-CG 3.91Å; A96-E120 WeakPolarHBondContact O-CB 3.33Å; G99-E120 WeakPolarHBondContact CA-O 3.46Å; P118-E120 VanDerWaalsContact CB-OE2 3.3Å; P118-E120 WeakPolarHBondContact CB-OE2 3.41Å; P118-E120 PolarHBondContact O-N 2.95Å; E120-G122 PolarHBondContact O-N 2.94Å; E120-G122 VanDerWaalsContact O-N 3.13Å; E120-R123 VanDerWaalsContact O-CB 3.29Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 2.82Å; E120-L162 HydrophobicContact CG-CD1 4.07Å
121	L	97.8	Very high	97.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.4	-27.8	170.9	-74.4	179.9	0	0	0	112.4	L94 L98 L107 L117 P118 Y119 R123 L124 L155 M158	L94-L121 HydrophobicContact CD1-CD1 4.23Å; L98-L121 HydrophobicContact CB-CD2 4.32Å; L98-L121 HydrophobicContact CD2-CD2 3.88Å; L98-L121 HydrophobicContact CG-CD2 3.91Å; L107-L121 HydrophobicContact CD2-CD2 4.07Å; L117-L121 HydrophobicContact CB-CD1 4.16Å; L117-L121 HydrophobicContact CD2-CD1 4.25Å; P118-L121 HydrophobicContact CG-CD1 4.44Å; P118-L121 HydrophobicContact CG-CG 4.16Å; P118-L121 WeakPolarHBondContact O-CB 3.42Å; P118-L121 PolarHBondContact O-N 2.91Å; Y119-L121 PolarHBondContact O-N 3.28Å; Y119-L121 VanDerWaalsContact O-N 3.16Å; L121-R123 PolarHBondContact O-N 2.94Å; L121-R123 VanDerWaalsContact O-N 3.07Å; L121-L124 HydrophobicContact CD2-CD1 3.69Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 WeakPolarHBondContact O-CG 3.49Å; L121-L124 PolarHBondContact O-N 2.83Å; L121-L155 HydrophobicContact CB-CD2 4.4Å; L121-L155 VanDerWaalsContact O-CD2 3.28Å; L121-L155 WeakPolarHBondContact O-CD2 3.48Å; L121-M158 HydrophobicContact CB-SD 3.83Å
122	G	96.8	Very high	97.2	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.4	-21.3	174.6	0	0	0	0	0	114.1	Y119 E120 L124 L155 L159	Y119-G122 PolarHBondContact O-N 2.94Å; E120-G122 PolarHBondContact O-N 2.94Å; E120-G122 VanDerWaalsContact O-N 3.13Å; G122-L124 PolarHBondContact O-N 2.88Å; G122-L155 WeakPolarHBondContact CA-O 3.48Å; G122-L159 WeakPolarHBondContact O-CD2 3.38Å
123	R	96.4	Very high	97.1	Very high	55 Å²	55	49.9 Å²	49.9	21%	0.208	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-71.4	-11.9	174.2	-65	177.6	176.2	163.9	-1.6	113.6	G99 N100 E120 L121 F125 L159 L162	G99-R123 VanDerWaalsContact O-CB 3.31Å; G99-R123 WeakPolarHBondContact O-CB 3.48Å; N100-R123 PolarHBondContact OD1-NH1 3.32Å; E120-R123 VanDerWaalsContact O-CB 3.29Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 2.82Å; L121-R123 PolarHBondContact O-N 2.94Å; L121-R123 VanDerWaalsContact O-N 3.07Å; R123-F125 WeakPolarHBondContact O-CD1 3.42Å; R123-F125 PolarHBondContact O-N 2.76Å; R123-L159 HydrophobicContact CG-CD1 4.36Å; R123-L162 HydrophobicContact CG-CD2 4.31Å
124	L	97.1	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.			trans	-79.7	57.7	178.8	-56.7	-177.5	0	0	0	111.5	G99 M101 L104 L107 L121 G122 Q126 L127	G99-L124 WeakPolarHBondContact O-CD2 3.17Å; M101-L124 VanDerWaalsContact O-CD2 3.26Å; M101-L124 WeakPolarHBondContact O-CD2 3.29Å; L104-L124 HydrophobicContact CD1-CD1 4.28Å; L107-L124 HydrophobicContact CD2-CD1 4.1Å; L121-L124 HydrophobicContact CD2-CD1 3.69Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 WeakPolarHBondContact O-CG 3.49Å; L121-L124 PolarHBondContact O-N 2.83Å; G122-L124 PolarHBondContact O-N 2.88Å; L124-Q126 PolarHBondContact O-N 3.45Å; L124-Q126 VanDerWaalsContact O-N 3.14Å; L124-L127 HydrophobicContact CB-CB 3.99Å; L124-L127 HydrophobicContact CB-CD2 4.49Å; L124-L127 HydrophobicContact CD1-CD2 4.36Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.13Å
125	F	94	Very high	97.1	Very high	56 Å²	56	49.8 Å²	49.8	25%	0.246	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.1	-173.8	66.5	-87.8	0	0	0	114.2	V102 R123 G208 Y209 F482	V102-F125 HydrophobicContact CB-CE1 4.11Å; V102-F125 HydrophobicContact CG1-CE1 4.25Å; R123-F125 WeakPolarHBondContact O-CD1 3.42Å; R123-F125 PolarHBondContact O-N 2.76Å; F125-G208 WeakPolarHBondContact CB-O 3.48Å; F125-Y209 HydrophobicContact CD1-CD1 4.43Å; F125-Y209 HydrophobicContact CE1-CD1 4.06Å; F125-Y209 HydrophobicContact CE1-CG 4.41Å; F125-Y209 HydrophobicContact CE2-CD1 4.32Å; F125-Y209 HydrophobicContact CZ-CD1 4.01Å; F125-F482 HydrophobicContact CE1-CD2 4.19Å; F125-F482 HydrophobicContact CE1-CE2 4.45Å; F125-F482 HydrophobicContact CE1-CG 4.46Å; F125-F482 HydrophobicContact CE2-CD1 4.12Å; F125-F482 HydrophobicContact CE2-CE1 4.43Å; F125-F482 HydrophobicContact CE2-CG 4.25Å; F125-F482 HydrophobicContact CZ-CB 4.15Å; F125-F482 AromaticContact CZ-CD1 3.76Å; F125-F482 HydrophobicContact CZ-CD1 3.76Å; F125-F482 AromaticContact CZ-CD2 3.58Å; F125-F482 HydrophobicContact CZ-CD2 3.58Å; F125-F482 HydrophobicContact CZ-CE1 4.06Å; F125-F482 AromaticContact CZ-CE2 3.85Å; F125-F482 HydrophobicContact CZ-CE2 3.85Å; F125-F482 AromaticContact CZ-CG 3.53Å; F125-F482 HydrophobicContact CZ-CG 3.53Å; F125-F482 HydrophobicContact CZ-CZ 4.07Å
126	Q	95.2	Very high	97.1	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.2	172.7	-58.1	-162.8	-32.9	0	0	113.7	V102 L104 L124 Q128	V102-Q126 WeakPolarHBondContact O-CB 3.15Å; V102-Q126 WeakPolarHBondContact O-CG 3.24Å; V102-Q126 PolarHBondContact O-OE1 3.05Å; L104-Q126 CarbonylContact O-C 3.58Å; L124-Q126 PolarHBondContact O-N 3.45Å; L124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-Q128 PolarHBondContact O-N 3Å
127	L	97.5	Very high	97.1	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	21%	0.207	C	C	.	.			trans	-69.4	125	-174.7	-163.1	76.4	0	0	0	111	L104 L107 L124 L130 T151 L155	L104-L127 HydrophobicContact CB-CD1 3.92Å; L104-L127 WeakPolarHBondContact O-CA 3.43Å; L104-L127 PolarHBondContact O-N 3.35Å; L107-L127 HydrophobicContact CB-CD1 3.76Å; L107-L127 HydrophobicContact CB-CD2 4.19Å; L124-L127 HydrophobicContact CB-CB 3.99Å; L124-L127 HydrophobicContact CB-CD2 4.49Å; L124-L127 HydrophobicContact CD1-CD2 4.36Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.13Å; L127-L130 HydrophobicContact CD2-CB 3.86Å; L127-L130 HydrophobicContact CD2-CD1 4.13Å; L127-L130 HydrophobicContact CD2-CG 4.37Å; L127-T151 HydrophobicContact CD2-CG2 4.48Å; L127-L155 HydrophobicContact CB-CD1 3.83Å; L127-L155 HydrophobicContact CD2-CD1 4.04Å; L127-L155 HydrophobicContact CD2-CD2 4.35Å; L127-L155 HydrophobicContact CG-CD1 4.48Å
128	Q	96	Very high	97	Very high	127 Å²	127	42.4 Å²	42.4	59%	0.593	22%	0.222	S	C	*	.			trans	-101.8	-39.9	-178.1	-57.9	-177.6	-14.4	0	0	111	R105 Q126	R105-Q128 PolarHBondContact O-N 2.71Å; Q126-Q128 PolarHBondContact O-N 3Å
129	T	97	Very high	96.9	Very high	59 Å²	59	46.7 Å²	46.7	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.1	-178.3	-55.3	0	0	0	0	110.1	R105 E106 L107 L108	R105-T129 PolarHBondContact O-N 3.37Å; E106-T129 WeakPolarHBondContact CA-O 3.48Å; L107-T129 PolarHBondContact N-O 3.22Å; L108-T129 HydrophobicContact CD2-CG2 3.97Å
130	L	98.2	Very high	96.8	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.3	171.2	177.8	57.3	0	0	0	109	L107 L109 L127 L132 Y145 T151 L154 L155	L107-L130 HydrophobicContact CB-CD1 4.25Å; L107-L130 HydrophobicContact CD2-CD1 4.05Å; L107-L130 HydrophobicContact CG-CD1 4.1Å; L107-L130 CarbonylContact O-C 3.57Å; L107-L130 WeakPolarHBondContact O-CA 3.2Å; L109-L130 HydrophobicContact CD1-CD1 4.08Å; L127-L130 HydrophobicContact CD2-CB 3.86Å; L127-L130 HydrophobicContact CD2-CD1 4.13Å; L127-L130 HydrophobicContact CD2-CG 4.37Å; L130-L132 HydrophobicContact CD1-CD2 4.31Å; L130-L132 HydrophobicContact CD1-CG 4.25Å; L130-L132 HydrophobicContact CD2-CD1 3.81Å; L130-L132 HydrophobicContact CD2-CG 4.27Å; L130-L132 HydrophobicContact CG-CD1 4Å; L130-L132 HydrophobicContact CG-CD2 4.48Å; L130-L132 HydrophobicContact CG-CG 3.91Å; L130-Y145 VanDerWaalsContact O-CE2 3.24Å; L130-Y145 WeakPolarHBondContact O-CE2 3.46Å; L130-Y145 PolarHBondContact O-OH 3.19Å; L130-T151 HydrophobicContact CB-CG2 3.59Å; L130-L154 HydrophobicContact CD2-CD2 4.16Å; L130-L155 HydrophobicContact CD2-CD2 4.41Å
131	G	98	Very high	96.8	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.5	-179.9	0	0	0	0	0	112.3	L107 L109 N110	L107-G131 PolarHBondContact O-N 3.42Å; L109-G131 CarbonylContact C-O 3.53Å; L109-G131 WeakPolarHBondContact CA-O 3.48Å; L109-G131 VanDerWaalsContact CB-O 3.25Å; L109-G131 WeakPolarHBondContact CB-O 3.15Å; L109-G131 PolarHBondContact N-O 2.87Å; N110-G131 PolarHBondContact N-O 3.49Å; N110-G131 VanDerWaalsContact OD1-C 3.24Å; N110-G131 WeakPolarHBondContact OD1-CA 3.3Å
132	L	98.3	Very high	96.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.255	C	S	.	.			trans	-115.2	-0.3	-178.8	-68.3	170.9	0	0	0	114.9	L109 N110 L117 L130 N135 L137 Y145 L154	L109-L132 HydrophobicContact CB-CD2 4.25Å; L109-L132 HydrophobicContact CD1-CD2 3.99Å; N110-L132 PolarHBondContact OD1-N 2.98Å; L117-L132 HydrophobicContact CD1-CD1 3.7Å; L117-L132 HydrophobicContact CD1-CD2 3.96Å; L117-L132 HydrophobicContact CD2-CD2 4Å; L130-L132 HydrophobicContact CD1-CD2 4.31Å; L130-L132 HydrophobicContact CD1-CG 4.25Å; L130-L132 HydrophobicContact CD2-CD1 3.81Å; L130-L132 HydrophobicContact CD2-CG 4.27Å; L130-L132 HydrophobicContact CG-CD1 4Å; L130-L132 HydrophobicContact CG-CD2 4.48Å; L130-L132 HydrophobicContact CG-CG 3.91Å; L132-N135 WeakPolarHBondContact O-CB 3.42Å; L132-N135 PolarHBondContact O-N 3.23Å; L132-N135 PolarHBondContact O-ND2 3.06Å; L132-L137 HydrophobicContact CB-CD1 4.03Å; L132-L137 HydrophobicContact CD1-CD1 4.09Å; L132-L137 HydrophobicContact CD2-CD1 4.22Å; L132-L137 HydrophobicContact CG-CD1 4.34Å; L132-Y145 HydrophobicContact CB-CE1 4.23Å; L132-Y145 HydrophobicContact CD1-CD2 4.04Å; L132-Y145 HydrophobicContact CD1-CE2 4.29Å; L132-Y145 HydrophobicContact CD1-CG 4.3Å; L132-L154 HydrophobicContact CD1-CD2 3.67Å
133	K	96.6	Very high	96.6	Very high	161 Å²	161	51.5 Å²	51.5	70%	0.7	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	140.5	-172.9	-175.1	177.5	178.4	179.3	0	111.2	N110 N111 N135	N110-K133 CarbonylContact C-O 3.57Å; N110-K133 WeakPolarHBondContact CA-O 3.32Å; N110-K133 WeakPolarHBondContact OD1-CB 3.42Å; N110-K133 PolarHBondContact OD1-N 3.46Å; N111-K133 PolarHBondContact N-O 3.22Å; K133-N135 VanDerWaalsContact C-N 3.34Å
134	G	97.6	Very high	96.5	Very high	50 Å²	50	51.1 Å²	51.1	52%	0.515	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	13.4	177.1	0	0	0	0	0	114.6
135	N	98.5	Very high	96.5	Very high	14 Å²	14	54 Å²	54	8%	0.075	29%	0.287	C	S	.	.			trans	-98.4	144.1	169.7	-73.8	-78.8	0	0	0	111.6	L109 N112 L113 L114 L132 K133 L137	L109-N135 PolarHBondContact O-ND2 3.44Å; N112-N135 VanDerWaalsContact CA-OD1 3.23Å; N112-N135 WeakPolarHBondContact CA-OD1 2.81Å; N112-N135 WeakPolarHBondContact CB-OD1 2.83Å; N112-N135 PolarHBondContact N-OD1 3.38Å; N112-N135 PolarHBondContact O-OD1 2.87Å; L113-N135 PolarHBondContact N-OD1 3.29Å; L114-N135 HydrophobicContact CB-CB 4.13Å; L114-N135 WeakPolarHBondContact CB-OD1 3.29Å; L114-N135 WeakPolarHBondContact CG-OD1 3.48Å; L114-N135 PolarHBondContact N-OD1 3.34Å; L114-N135 VanDerWaalsContact N-OD1 3.1Å; L132-N135 WeakPolarHBondContact O-CB 3.42Å; L132-N135 PolarHBondContact O-N 3.23Å; L132-N135 PolarHBondContact O-ND2 3.06Å; K133-N135 VanDerWaalsContact C-N 3.34Å; N135-L137 HydrophobicContact CB-CD1 4.21Å; N135-L137 HydrophobicContact CB-CG 3.94Å; N135-L137 PolarHBondContact O-N 3.19Å
136	P	97.6	Very high	96.6	Very high	56 Å²	56	57.9 Å²	57.9	36%	0.364	31%	0.305	S	S	.	.			trans	-79.1	52.5	176.4	35.6	-38.4	0	0	0	112.8	L114 R115	L114-P136 CarbonylContact O-C 3.28Å; L114-P136 VanDerWaalsContact O-C 3.28Å; L114-P136 WeakPolarHBondContact O-CD 3.28Å; L114-P136 WeakPolarHBondContact O-CG 3.45Å; R115-P136 WeakPolarHBondContact CA-O 3.39Å; R115-P136 HydrophobicContact CG-CG 4Å
137	L	97.6	Very high	96.5	Very high	15 Å²	15	59 Å²	59	8%	0.079	31%	0.313	C	S	.	.			trans	-71.3	159.4	177.7	-66.5	169.6	0	0	0	111.6	L114 L117 L132 N135 I141 L142	L114-L137 HydrophobicContact CB-CD2 4.22Å; L114-L137 WeakPolarHBondContact O-CD2 3.45Å; L114-L137 PolarHBondContact O-N 3.21Å; L117-L137 HydrophobicContact CD1-CD1 4.19Å; L117-L137 HydrophobicContact CD1-CD2 4.2Å; L117-L137 HydrophobicContact CD2-CD2 4.19Å; L117-L137 HydrophobicContact CG-CD2 3.78Å; L132-L137 HydrophobicContact CB-CD1 4.03Å; L132-L137 HydrophobicContact CD1-CD1 4.09Å; L132-L137 HydrophobicContact CD2-CD1 4.22Å; L132-L137 HydrophobicContact CG-CD1 4.34Å; N135-L137 HydrophobicContact CB-CD1 4.21Å; N135-L137 HydrophobicContact CB-CG 3.94Å; N135-L137 PolarHBondContact O-N 3.19Å; L137-I141 HydrophobicContact CB-CG2 4.44Å; L137-I141 HydrophobicContact CD1-CG2 4.13Å; L137-L142 HydrophobicContact CB-CD2 4.06Å; L137-L142 HydrophobicContact CB-CG 4.03Å; L137-L142 HydrophobicContact CD1-CD2 4.25Å
138	S	96	Very high	96.3	Very high	55 Å²	55	63.8 Å²	63.8	39%	0.385	34%	0.344	S	S	.	.			trans	-63.3	152.9	173.4	64.1	0	0	0	0	111.8	D140 I141 L142	S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 PolarHBondContact O-N 3.45Å; S138-I141 PolarHBondContact O-N 3.36Å; S138-I141 WeakPolarHBondContact OG-CG1 3.44Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 3.15Å; S138-L142 VanDerWaalsContact O-N 3.12Å
139	Q	95.2	Very high	96.1	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-36.3	-177.7	-168.9	60.7	42.4	0	0	112.3	I141 L142 N143	Q139-I141 PolarHBondContact O-N 3.11Å; Q139-L142 PolarHBondContact O-N 3.32Å; Q139-N143 PolarHBondContact NE2-OD1 3.04Å; Q139-N143 WeakPolarHBondContact O-CB 3.47Å; Q139-N143 PolarHBondContact O-N 3.35Å; Q139-N143 PolarHBondContact O-ND2 3.01Å; Q139-N143 PolarHBondContact O-OD1 2.94Å
140	D	94.7	Very high	96	Very high	121 Å²	121	58.7 Å²	58.7	65%	0.647	32%	0.32	S	S	*	.	H	α-helix	trans	-63	-43.1	-179.8	-57.7	-34.2	0	0	0	112.3	S138 N143 L144	S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 PolarHBondContact O-N 3.45Å; D140-N143 PolarHBondContact O-N 2.97Å; D140-L144 PolarHBondContact O-N 2.63Å; D140-L144 VanDerWaalsContact O-N 3.15Å
141	I	96.4	Very high	95.9	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176.3	-65.6	-67.5	0	0	0	110.6	L117 L137 S138 Q139 N143 L144 Y145 L154 F157 M158	L117-I141 HydrophobicContact CD1-CG2 4.11Å; L137-I141 HydrophobicContact CB-CG2 4.44Å; L137-I141 HydrophobicContact CD1-CG2 4.13Å; S138-I141 PolarHBondContact O-N 3.36Å; S138-I141 WeakPolarHBondContact OG-CG1 3.44Å; Q139-I141 PolarHBondContact O-N 3.11Å; I141-N143 VanDerWaalsContact C-N 3.34Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-Y145 WeakPolarHBondContact O-CB 3.42Å; I141-Y145 PolarHBondContact O-N 3.21Å; I141-L154 HydrophobicContact CD1-CD1 3.73Å; I141-L154 HydrophobicContact CG2-CD1 3.95Å; I141-L154 HydrophobicContact CG2-CD2 4.09Å; I141-F157 HydrophobicContact CD1-CE1 4.32Å; I141-M158 HydrophobicContact CD1-CE 4.38Å
142	L	95.2	Very high	95.8	Very high	37 Å²	37	66.4 Å²	66.4	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-38.9	177.4	-69.3	175	0	0	0	111.9	L137 S138 Q139 Y145 Q146	L137-L142 HydrophobicContact CB-CD2 4.06Å; L137-L142 HydrophobicContact CB-CG 4.03Å; L137-L142 HydrophobicContact CD1-CD2 4.25Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 3.15Å; S138-L142 VanDerWaalsContact O-N 3.12Å; Q139-L142 PolarHBondContact O-N 3.32Å; L142-Y145 PolarHBondContact O-N 3.32Å; L142-Q146 WeakPolarHBondContact O-CB 3.27Å; L142-Q146 WeakPolarHBondContact O-CG 3.41Å; L142-Q146 PolarHBondContact O-N 2.82Å
143	N	95.9	Very high	95.7	Very high	75 Å²	75	70 Å²	70	40%	0.401	37%	0.366	S	S	.	.	H	α-helix	trans	-62.1	-49.1	176.8	-68	-16.2	0	0	0	111	Q139 D140 I141 Y145 Q146 D147	Q139-N143 PolarHBondContact NE2-OD1 3.04Å; Q139-N143 WeakPolarHBondContact O-CB 3.47Å; Q139-N143 PolarHBondContact O-N 3.35Å; Q139-N143 PolarHBondContact O-ND2 3.01Å; Q139-N143 PolarHBondContact O-OD1 2.94Å; D140-N143 PolarHBondContact O-N 2.97Å; I141-N143 VanDerWaalsContact C-N 3.34Å; N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 2.94Å; N143-Q146 PolarHBondContact O-N 2.98Å; N143-D147 PolarHBondContact O-N 3.48Å
144	L	95.2	Very high	95.7	Very high	48 Å²	48	62.4 Å²	62.4	25%	0.251	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-40.4	175.8	-72.1	173.4	0	0	0	112.2	D140 I141 G150 L154 F157	D140-L144 PolarHBondContact O-N 2.63Å; D140-L144 VanDerWaalsContact O-N 3.15Å; I141-L144 PolarHBondContact O-N 2.86Å; L144-G150 WeakPolarHBondContact O-CA 3.38Å; L144-L154 HydrophobicContact CB-CD1 4.26Å; L144-L154 HydrophobicContact CD1-CD1 4.18Å; L144-F157 HydrophobicContact CD1-CB 3.89Å; L144-F157 HydrophobicContact CD1-CD1 3.78Å; L144-F157 HydrophobicContact CD1-CD2 3.98Å; L144-F157 HydrophobicContact CD1-CE1 4.34Å; L144-F157 HydrophobicContact CD1-CE2 4.5Å; L144-F157 HydrophobicContact CD1-CG 3.58Å
145	Y	96.5	Very high	95.7	Very high	61 Å²	61	60.4 Å²	60.4	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-74.3	-27.4	-178.9	177.5	-106	0	0	0	113.8	L130 L132 I141 L142 N143 G150 L154	L130-Y145 VanDerWaalsContact O-CE2 3.24Å; L130-Y145 WeakPolarHBondContact O-CE2 3.46Å; L130-Y145 PolarHBondContact O-OH 3.19Å; L132-Y145 HydrophobicContact CB-CE1 4.23Å; L132-Y145 HydrophobicContact CD1-CD2 4.04Å; L132-Y145 HydrophobicContact CD1-CE2 4.29Å; L132-Y145 HydrophobicContact CD1-CG 4.3Å; I141-Y145 WeakPolarHBondContact O-CB 3.42Å; I141-Y145 PolarHBondContact O-N 3.21Å; L142-Y145 PolarHBondContact O-N 3.32Å; N143-Y145 VanDerWaalsContact C-N 3.27Å; N143-Y145 PolarHBondContact O-N 2.94Å; Y145-G150 WeakPolarHBondContact O-CA 3.19Å; Y145-L154 HydrophobicContact CD2-CD2 4.47Å
146	Q	95.3	Very high	95.6	Very high	136 Å²	136	62.8 Å²	62.8	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-80.4	-16.6	-179.7	-77.6	172.3	7.9	0	0	113.9	L142 N143	L142-Q146 WeakPolarHBondContact O-CB 3.27Å; L142-Q146 WeakPolarHBondContact O-CG 3.41Å; L142-Q146 PolarHBondContact O-N 2.82Å; N143-Q146 PolarHBondContact O-N 2.98Å
147	D	93.7	Very high	95.6	Very high	76 Å²	76	63.6 Å²	63.6	41%	0.406	32%	0.321	S	S	.	.	S	Bend	trans	-60.9	157.7	175.8	-96.7	-4.5	0	0	0	112.4	N143 D149 G150 K153	N143-D147 PolarHBondContact O-N 3.48Å; D147-D149 PolarHBondContact O-N 3.31Å; D147-G150 WeakPolarHBondContact O-CA 3.43Å; D147-G150 PolarHBondContact O-N 2.88Å; D147-K153 HydrophobicContact CB-CD 3.71Å; D147-K153 VanDerWaalsContact CG-NZ 3.3Å; D147-K153 IonicContact OD2-NZ 3.87Å; D147-K153 PolarHBondContact OD2-NZ 3.26Å
148	P	92	Very high	95.6	Very high	105 Å²	105	63 Å²	63	68%	0.682	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	128.3	162.9	-21.3	32.4	0	0	0	108.8	G150	P148-G150 VanDerWaalsContact C-N 3.3Å; P148-G150 PolarHBondContact O-N 3.32Å
149	D	92.6	Very high	95.6	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	29.2	-174.7	-168.1	42.1	0	0	0	114.8	D147 T151 R152 K153	D147-D149 PolarHBondContact O-N 3.31Å; D149-T151 PolarHBondContact O-N 2.86Å; D149-T151 VanDerWaalsContact O-N 3.12Å; D149-R152 PolarHBondContact O-N 3.17Å; D149-R152 VanDerWaalsContact O-N 3.07Å; D149-R152 WeakPolarHBondContact OD1-CG 3.37Å; D149-R152 IonicContact OD1-CZ 3.42Å; D149-R152 IonicContact OD1-NE 3.25Å; D149-R152 PolarHBondContact OD1-NE 3.19Å; D149-R152 IonicContact OD1-NH1 3.11Å; D149-R152 IonicContact OD1-NH2 2.76Å; D149-R152 PolarHBondContact OD1-NH2 3.4Å; D149-R152 WeakPolarHBondContact OD2-CB 3.37Å; D149-R152 IonicContact OD2-CZ 3.99Å; D149-R152 IonicContact OD2-NE 3.76Å; D149-R152 PolarHBondContact OD2-NE 3.1Å; D149-R152 IonicContact OD2-NH2 2.77Å; D149-R152 PolarHBondContact OD2-NH2 2.8Å; D149-K153 PolarHBondContact O-N 2.81Å; D149-K153 VanDerWaalsContact O-N 3.09Å
150	G	95.8	Very high	95.7	Very high	5 Å²	5	57.3 Å²	57.3	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-26.4	-174.6	0	0	0	0	0	115.4	L144 Y145 D147 P148 L154	L144-G150 WeakPolarHBondContact O-CA 3.38Å; Y145-G150 WeakPolarHBondContact O-CA 3.19Å; D147-G150 WeakPolarHBondContact O-CA 3.43Å; D147-G150 PolarHBondContact O-N 2.88Å; P148-G150 VanDerWaalsContact C-N 3.3Å; P148-G150 PolarHBondContact O-N 3.32Å; G150-L154 WeakPolarHBondContact O-CB 3.42Å; G150-L154 PolarHBondContact O-N 2.9Å
151	T	96	Very high	95.8	Very high	21 Å²	21	55.8 Å²	55.8	13%	0.129	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-57	171.1	-65.5	0	0	0	0	110.4	L127 L130 D149 K153 L154 L155	L127-T151 HydrophobicContact CD2-CG2 4.48Å; L130-T151 HydrophobicContact CB-CG2 3.59Å; D149-T151 PolarHBondContact O-N 2.86Å; D149-T151 VanDerWaalsContact O-N 3.12Å; T151-K153 VanDerWaalsContact C-N 3.35Å; T151-K153 PolarHBondContact O-N 3.3Å; T151-L154 PolarHBondContact O-N 3.44Å; T151-L155 HydrophobicContact CG2-CD1 3.89Å; T151-L155 HydrophobicContact CG2-CG 4.49Å; T151-L155 VanDerWaalsContact O-CG 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.48Å; T151-L155 PolarHBondContact O-N 3.41Å
152	R	95.6	Very high	95.8	Very high	148 Å²	148	55.7 Å²	55.7	56%	0.558	28%	0.278	S	S	*	.	H	α-helix	trans	-63.8	-40.6	-179.1	-64.5	-163.1	-59.5	-130.9	-5.1	111.9	D149 L154 L155 N156	D149-R152 PolarHBondContact O-N 3.17Å; D149-R152 VanDerWaalsContact O-N 3.07Å; D149-R152 WeakPolarHBondContact OD1-CG 3.37Å; D149-R152 IonicContact OD1-CZ 3.42Å; D149-R152 IonicContact OD1-NE 3.25Å; D149-R152 PolarHBondContact OD1-NE 3.19Å; D149-R152 IonicContact OD1-NH1 3.11Å; D149-R152 IonicContact OD1-NH2 2.76Å; D149-R152 PolarHBondContact OD1-NH2 3.4Å; D149-R152 WeakPolarHBondContact OD2-CB 3.37Å; D149-R152 IonicContact OD2-CZ 3.99Å; D149-R152 IonicContact OD2-NE 3.76Å; D149-R152 PolarHBondContact OD2-NE 3.1Å; D149-R152 IonicContact OD2-NH2 2.77Å; D149-R152 PolarHBondContact OD2-NH2 2.8Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 2.79Å; R152-L155 PolarHBondContact O-N 2.73Å; R152-N156 WeakPolarHBondContact O-CB 3.44Å; R152-N156 PolarHBondContact O-N 3.25Å; R152-N156 PolarHBondContact O-ND2 3.24Å
153	K	95.6	Very high	95.6	Very high	78 Å²	78	57.5 Å²	57.5	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-46.2	176.2	-75.6	179.5	170.6	177.7	0	112.2	D147 D149 T151 N156 F157	D147-K153 HydrophobicContact CB-CD 3.71Å; D147-K153 VanDerWaalsContact CG-NZ 3.3Å; D147-K153 IonicContact OD2-NZ 3.87Å; D147-K153 PolarHBondContact OD2-NZ 3.26Å; D149-K153 PolarHBondContact O-N 2.81Å; D149-K153 VanDerWaalsContact O-N 3.09Å; T151-K153 VanDerWaalsContact C-N 3.35Å; T151-K153 PolarHBondContact O-N 3.3Å; K153-N156 PolarHBondContact O-N 2.66Å; K153-F157 WeakPolarHBondContact O-CB 3.32Å; K153-F157 PolarHBondContact O-N 2.94Å
154	L	97.3	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-45.2	179.5	-178.1	60.3	0	0	0	111.9	L117 L130 L132 I141 L144 Y145 G150 T151 R152 F157 M158	L117-L154 HydrophobicContact CD1-CD2 4.16Å; L130-L154 HydrophobicContact CD2-CD2 4.16Å; L132-L154 HydrophobicContact CD1-CD2 3.67Å; I141-L154 HydrophobicContact CD1-CD1 3.73Å; I141-L154 HydrophobicContact CG2-CD1 3.95Å; I141-L154 HydrophobicContact CG2-CD2 4.09Å; L144-L154 HydrophobicContact CB-CD1 4.26Å; L144-L154 HydrophobicContact CD1-CD1 4.18Å; Y145-L154 HydrophobicContact CD2-CD2 4.47Å; G150-L154 WeakPolarHBondContact O-CB 3.42Å; G150-L154 PolarHBondContact O-N 2.9Å; T151-L154 PolarHBondContact O-N 3.44Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 2.79Å; L154-F157 PolarHBondContact O-N 3.01Å; L154-M158 HydrophobicContact CD1-CE 3.82Å; L154-M158 HydrophobicContact CD2-CE 4.13Å; L154-M158 HydrophobicContact CG-CE 3.86Å; L154-M158 HydrophobicContact CG-SD 4.39Å; L154-M158 WeakPolarHBondContact O-CG 3.3Å; L154-M158 PolarHBondContact O-N 2.83Å
155	L	97.2	Very high	94.3	Very high	8 Å²	8	59 Å²	59	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-42.8	178.2	-62.7	172.4	0	0	0	111.5	L121 G122 L127 L130 T151 R152 F157 M158 L159	L121-L155 HydrophobicContact CB-CD2 4.4Å; L121-L155 VanDerWaalsContact O-CD2 3.28Å; L121-L155 WeakPolarHBondContact O-CD2 3.48Å; G122-L155 WeakPolarHBondContact CA-O 3.48Å; L127-L155 HydrophobicContact CB-CD1 3.83Å; L127-L155 HydrophobicContact CD2-CD1 4.04Å; L127-L155 HydrophobicContact CD2-CD2 4.35Å; L127-L155 HydrophobicContact CG-CD1 4.48Å; L130-L155 HydrophobicContact CD2-CD2 4.41Å; T151-L155 HydrophobicContact CG2-CD1 3.89Å; T151-L155 HydrophobicContact CG2-CG 4.49Å; T151-L155 VanDerWaalsContact O-CG 3.26Å; T151-L155 WeakPolarHBondContact O-CG 3.48Å; T151-L155 PolarHBondContact O-N 3.41Å; R152-L155 PolarHBondContact O-N 2.73Å; L155-F157 PolarHBondContact O-N 2.96Å; L155-M158 PolarHBondContact O-N 2.89Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 PolarHBondContact O-N 3.24Å
156	N	96.2	Very high	92.9	Very high	65 Å²	65	60.6 Å²	60.6	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-45.4	175.4	-74.1	-20.7	0	0	0	111.6	R152 K153 M158 L159 D160	R152-N156 WeakPolarHBondContact O-CB 3.44Å; R152-N156 PolarHBondContact O-N 3.25Å; R152-N156 PolarHBondContact O-ND2 3.24Å; K153-N156 PolarHBondContact O-N 2.66Å; N156-M158 VanDerWaalsContact C-N 3.32Å; N156-M158 PolarHBondContact O-N 3.3Å; N156-L159 PolarHBondContact O-N 2.92Å; N156-D160 VanDerWaalsContact O-CB 3.32Å; N156-D160 WeakPolarHBondContact O-CB 3.31Å; N156-D160 PolarHBondContact O-N 2.92Å
157	F	97	Very high	91.5	Very high	72 Å²	72	63.4 Å²	63.4	32%	0.316	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-45.6	175.4	171.1	-94.5	0	0	0	111.5	Y119 I141 L144 K153 L154 L155 D160 N161	Y119-F157 HydrophobicContact CE1-CE1 4.09Å; I141-F157 HydrophobicContact CD1-CE1 4.32Å; L144-F157 HydrophobicContact CD1-CB 3.89Å; L144-F157 HydrophobicContact CD1-CD1 3.78Å; L144-F157 HydrophobicContact CD1-CD2 3.98Å; L144-F157 HydrophobicContact CD1-CE1 4.34Å; L144-F157 HydrophobicContact CD1-CE2 4.5Å; L144-F157 HydrophobicContact CD1-CG 3.58Å; K153-F157 WeakPolarHBondContact O-CB 3.32Å; K153-F157 PolarHBondContact O-N 2.94Å; L154-F157 PolarHBondContact O-N 3.01Å; L155-F157 PolarHBondContact O-N 2.96Å; F157-D160 PolarHBondContact O-N 2.96Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.36Å; F157-N161 WeakPolarHBondContact O-CB 3.44Å; F157-N161 PolarHBondContact O-N 2.99Å; F157-N161 VanDerWaalsContact O-N 3.15Å; F157-N161 PolarHBondContact O-ND2 3.06Å
158	M	97.7	Very high	90.6	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-44.4	177.9	-73.5	178	176.9	0	0	112.1	L117 Y119 L121 I141 L154 L155 N156 N161 L162	L117-M158 HydrophobicContact CB-CE 3.41Å; L117-M158 VanDerWaalsContact CB-CE 3.41Å; L117-M158 HydrophobicContact CD1-CE 3.61Å; L117-M158 HydrophobicContact CG-CE 4.13Å; Y119-M158 HydrophobicContact CD1-CB 4.31Å; Y119-M158 HydrophobicContact CD1-CG 4.46Å; Y119-M158 WeakPolarHBondContact CD1-O 3.32Å; L121-M158 HydrophobicContact CB-SD 3.83Å; I141-M158 HydrophobicContact CD1-CE 4.38Å; L154-M158 HydrophobicContact CD1-CE 3.82Å; L154-M158 HydrophobicContact CD2-CE 4.13Å; L154-M158 HydrophobicContact CG-CE 3.86Å; L154-M158 HydrophobicContact CG-SD 4.39Å; L154-M158 WeakPolarHBondContact O-CG 3.3Å; L154-M158 PolarHBondContact O-N 2.83Å; L155-M158 PolarHBondContact O-N 2.89Å; N156-M158 VanDerWaalsContact C-N 3.32Å; N156-M158 PolarHBondContact O-N 3.3Å; M158-N161 CarbonylContact O-C 3.43Å; M158-N161 PolarHBondContact O-N 2.82Å; M158-L162 PolarHBondContact O-N 2.77Å
159	L	96.7	Very high	90.4	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-39.8	179.3	-174.8	51.1	0	0	0	111.8	G122 R123 L155 N156 N161 L162 G208 P211	G122-L159 WeakPolarHBondContact O-CD2 3.38Å; R123-L159 HydrophobicContact CG-CD1 4.36Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 PolarHBondContact O-N 3.24Å; N156-L159 PolarHBondContact O-N 2.92Å; L159-N161 PolarHBondContact O-N 2.85Å; L159-L162 HydrophobicContact CD1-CD2 4.45Å; L159-L162 PolarHBondContact O-N 2.8Å; L159-G208 VanDerWaalsContact CD2-O 3.29Å; L159-G208 WeakPolarHBondContact CD2-O 3.23Å; L159-P211 HydrophobicContact CD1-CG 4.05Å; L159-P211 HydrophobicContact CG-CG 4.06Å
160	D	97.3	Very high	90.4	Very high	42 Å²	42	60.8 Å²	60.8	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-25.2	178.3	-77.8	-20.3	0	0	0	113.2	N156 F157 R204 P211 S212 W213	N156-D160 VanDerWaalsContact O-CB 3.32Å; N156-D160 WeakPolarHBondContact O-CB 3.31Å; N156-D160 PolarHBondContact O-N 2.92Å; F157-D160 PolarHBondContact O-N 2.96Å; D160-R204 VanDerWaalsContact CG-NH2 3.28Å; D160-R204 IonicContact OD1-CZ 3.78Å; D160-R204 IonicContact OD1-NH2 3.68Å; D160-R204 PolarHBondContact OD1-NH2 3.42Å; D160-R204 IonicContact OD2-NH2 2.69Å; D160-R204 PolarHBondContact OD2-NH2 3.47Å; D160-P211 WeakPolarHBondContact OD1-CA 3.24Å; D160-S212 WeakPolarHBondContact OD1-CB 3.34Å; D160-S212 PolarHBondContact OD1-N 2.96Å; D160-S212 PolarHBondContact OD1-OG 3.18Å; D160-S212 WeakPolarHBondContact OD2-CB 3.4Å; D160-S212 PolarHBondContact OD2-OG 2.8Å; D160-W213 PolarHBondContact O-NE1 2.84Å
161	N	96.9	Very high	90.2	Very high	89 Å²	89	66.4 Å²	66.4	48%	0.476	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	6.9	179.9	-70.1	-86.8	0	0	0	113	Y119 F157 M158 L159 A163	Y119-N161 HydrophobicContact CD1-CB 3.79Å; Y119-N161 HydrophobicContact CE1-CB 3.47Å; Y119-N161 VanDerWaalsContact CE1-CB 3.47Å; F157-N161 WeakPolarHBondContact CE2-ND2 3.36Å; F157-N161 WeakPolarHBondContact O-CB 3.44Å; F157-N161 PolarHBondContact O-N 2.99Å; F157-N161 VanDerWaalsContact O-N 3.15Å; F157-N161 PolarHBondContact O-ND2 3.06Å; M158-N161 CarbonylContact O-C 3.43Å; M158-N161 PolarHBondContact O-N 2.82Å; L159-N161 PolarHBondContact O-N 2.85Å; N161-A163 PolarHBondContact O-N 2.8Å
162	L	95.2	Very high	90.2	Very high	22 Å²	22	67.2 Å²	67.2	12%	0.115	35%	0.35	C	S	.	.	S	Bend	trans	-67.5	130.6	174.6	-176.8	63.3	0	0	0	109	E120 R123 M158 L159 V164	E120-L162 HydrophobicContact CG-CD1 4.07Å; R123-L162 HydrophobicContact CG-CD2 4.31Å; M158-L162 PolarHBondContact O-N 2.77Å; L159-L162 HydrophobicContact CD1-CD2 4.45Å; L159-L162 PolarHBondContact O-N 2.8Å; L162-V164 PolarHBondContact O-N 2.92Å
163	A	91.1	Very high	90.3	Very high	74 Å²	74	63.4 Å²	63.4	61%	0.612	34%	0.344	S	S	*	.			trans	-61.7	134.3	178.6	0	0	0	0	0	110.8	N161	N161-A163 PolarHBondContact O-N 2.8Å
164	V	85.8	Confident	90.4	Very high	41 Å²	41	64.5 Å²	64.5	25%	0.248	35%	0.346	C	S	.	.			trans	-118.5	138.6	176	176.5	0	0	0	0	108	L162 P166 W213 P523 H524	L162-V164 PolarHBondContact O-N 2.92Å; V164-P166 WeakPolarHBondContact O-CD 3.44Å; V164-W213 HydrophobicContact CB-CH2 4.38Å; V164-W213 HydrophobicContact CG2-CH2 3.88Å; V164-W213 HydrophobicContact CG2-CZ2 3.86Å; V164-P523 HydrophobicContact CB-CB 4.41Å; V164-P523 HydrophobicContact CG1-CB 3.6Å; V164-P523 HydrophobicContact CG1-CG 4.35Å; V164-P523 HydrophobicContact CG2-CB 4.01Å; V164-P523 HydrophobicContact CG2-CG 3.88Å; V164-H524 VanDerWaalsContact CG1-CE1 3.43Å; V164-H524 WeakPolarHBondContact CG1-CE1 3.41Å
165	H	79.8	Confident	90.4	Very high	114 Å²	114	66.8 Å²	66.8	53%	0.528	36%	0.358	S	S	.	.			trans	-114.8	92.1	-177.9	-62.5	-59.1	0	0	0	111.1	E167 Q168 H524	H165-E167 VanDerWaalsContact C-N 3.27Å; H165-E167 PolarHBondContact O-N 3.41Å; H165-Q168 HydrophobicContact CB-CG 4.21Å; H165-Q168 PolarHBondContact O-N 3.11Å; H165-H524 VanDerWaalsContact C-CE1 3.47Å; H165-H524 PolarHBondContact O-CE1 3.01Å
166	P	65	Low	90.4	Very high	94 Å²	94	70.3 Å²	70.3	61%	0.61	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.4	-173.1	-24.9	34.5	0	0	0	115.3	V164 Q168 H524	V164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-Q168 PolarHBondContact O-N 2.79Å; P166-H524 VanDerWaalsContact CA-CE1 3.48Å; P166-H524 WeakPolarHBondContact CA-CE1 3.25Å
167	E	66.1	Low	90.4	Very high	196 Å²	196	71 Å²	71	92%	0.916	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.4	0.4	-172.7	-59.7	-179.6	-177.4	0	0	113.9	H165	H165-E167 VanDerWaalsContact C-N 3.27Å; H165-E167 PolarHBondContact O-N 3.41Å
168	Q	76.3	Confident	90.3	Very high	86 Å²	86	71.8 Å²	71.8	40%	0.402	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-100.3	-8.1	-170.9	-65.6	-179.6	-22	0	0	114.5	H165 P166 P170 W511 N515	H165-Q168 HydrophobicContact CB-CG 4.21Å; H165-Q168 PolarHBondContact O-N 3.11Å; P166-Q168 PolarHBondContact O-N 2.79Å; Q168-P170 WeakPolarHBondContact O-CD 3.38Å; Q168-P170 VanDerWaalsContact O-N 3.15Å; Q168-W511 PolarHBondContact O-NE1 3.02Å; Q168-N515 PolarHBondContact OE1-OD1 3.26Å
169	L	87.2	Confident	90	Very high	81 Å²	81	78.8 Å²	78.8	42%	0.424	42%	0.42	S	S	.	.			trans	-67.6	112.5	-177.2	-175.9	68.8	0	0	0	110.6	L507 W511 H524 I525	L169-L507 HydrophobicContact CD1-CD1 3.79Å; L169-L507 HydrophobicContact CD1-CD2 4.13Å; L169-W511 HydrophobicContact CD1-CH2 3.7Å; L169-W511 HydrophobicContact CD1-CZ2 4.17Å; L169-W511 HydrophobicContact CD1-CZ3 4Å; L169-H524 HydrophobicContact CD1-CB 4.25Å; L169-I525 HydrophobicContact CD1-CG1 4.5Å
170	P	91.7	Very high	89.5	Confident	32 Å²	32	84 Å²	84	21%	0.208	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-71.1	144.1	-179.6	28.4	-33.4	0	0	0	110.4	Q168 L507 D508 W511	Q168-P170 WeakPolarHBondContact O-CD 3.38Å; Q168-P170 VanDerWaalsContact O-N 3.15Å; P170-L507 HydrophobicContact CG-CD1 3.73Å; P170-L507 HydrophobicContact CG-CG 4.45Å; P170-L507 WeakPolarHBondContact O-CD1 3.49Å; P170-D508 HydrophobicContact CG-CB 4.33Å; P170-W511 HydrophobicContact CG-CB 3.94Å; P170-W511 HydrophobicContact CG-CD2 4.05Å; P170-W511 HydrophobicContact CG-CG 3.7Å
171	P	92.6	Very high	88.7	Confident	123 Å²	123	84.2 Å²	84.2	80%	0.799	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.2	142.1	173.9	29.1	-34.4	0	0	0	110
172	R	96	Very high	87.8	Confident	38 Å²	38	89 Å²	89	14%	0.143	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-76.7	132.1	173.3	-68.7	172	60.8	-169.3	-1.2	109.5	E227 L504 G505 L507 S531	R172-E227 IonicContact NH1-OE1 2.65Å; R172-L504 HydrophobicContact CB-CD1 3.68Å; R172-L504 HydrophobicContact CB-CD2 4.48Å; R172-L504 HydrophobicContact CB-CG 3.99Å; R172-G505 PolarHBondContact NE-O 3.25Å; R172-G505 PolarHBondContact NH2-O 3.29Å; R172-L507 HydrophobicContact CG-CB 4.36Å; R172-L507 HydrophobicContact CG-CD1 4.24Å; R172-S531 VanDerWaalsContact CZ-O 3.23Å; R172-S531 PolarHBondContact NH1-O 3.27Å; R172-S531 PolarHBondContact NH1-OG 3.24Å; R172-S531 VanDerWaalsContact NH1-OG 3.11Å; R172-S531 PolarHBondContact NH2-O 3.32Å
173	P	96.7	Very high	87.1	Confident	68 Å²	68	95.3 Å²	95.3	44%	0.442	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-73.3	141.9	-175.3	29.9	-33.7	0	0	0	111.2	G505 P506	P173-G505 WeakPolarHBondContact O-CA 3.26Å; P173-G505 PolarHBondContact O-N 3.12Å; P173-P506 VanDerWaalsContact CD-O 3.26Å; P173-P506 WeakPolarHBondContact CD-O 3.21Å
174	W	97.8	Very high	86.5	Confident	101 Å²	101	96.6 Å²	96.6	38%	0.383	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.7	164.8	-174.3	-99.4	0	0	0	109.8	L504 L533 Q535	W174-L504 HydrophobicContact CE3-CB 4.42Å; W174-L504 HydrophobicContact CZ3-CB 4.45Å; W174-L533 HydrophobicContact CZ3-CD2 4Å; W174-L533 HydrophobicContact CZ3-CG 4.13Å; W174-Q535 HydrophobicContact CH2-CB 3.75Å; W174-Q535 HydrophobicContact CZ2-CB 3.63Å
175	I	97.6	Very high	86.4	Confident	49 Å²	49	96.7 Å²	96.7	25%	0.251	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.3	179.9	-54.2	174.6	0	0	0	108.2	L177 L474 G502 V503	I175-L177 HydrophobicContact CG2-CD2 3.86Å; I175-L474 HydrophobicContact CD1-CD2 3.83Å; I175-L474 HydrophobicContact CG2-CD2 3.98Å; I175-G502 CarbonylContact O-C 3.53Å; I175-G502 WeakPolarHBondContact O-CA 3.3Å; I175-V503 HydrophobicContact CB-CG2 4.08Å; I175-V503 PolarHBondContact N-O 2.96Å; I175-V503 PolarHBondContact O-N 3.06Å
176	T	97.5	Very high	86.8	Confident	81 Å²	81	91.3 Å²	91.3	50%	0.497	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.7	171.9	-55.7	0	0	0	0	109.7
177	L	96.7	Very high	88.2	Confident	81 Å²	81	86.9 Å²	86.9	42%	0.424	44%	0.436	S	S	.	.			trans	-102.7	-32.5	179.4	-60.6	-178.4	0	0	0	112.1	I175 L474 V500 L501 V503	I175-L177 HydrophobicContact CG2-CD2 3.86Å; L177-L474 HydrophobicContact CD1-CD1 3.87Å; L177-L474 HydrophobicContact CD2-CD1 4.01Å; L177-L474 HydrophobicContact CD2-CD2 4.18Å; L177-V500 HydrophobicContact CD1-CB 4.41Å; L177-V500 HydrophobicContact CD1-CG1 3.81Å; L177-L501 PolarHBondContact N-O 2.89Å; L177-V503 HydrophobicContact CD1-CG1 4.32Å
178	K	94	Very high	89.5	Confident	87 Å²	87	78.3 Å²	78.3	38%	0.378	40%	0.397	S	S	.	.			trans	-152.4	138	-178.1	-169.2	-176.9	169.7	-178.2	0	110.2	N499 L501	K178-N499 HydrophobicContact CD-CB 4.35Å; K178-N499 PolarHBondContact NZ-ND2 3.47Å; K178-L501 HydrophobicContact CB-CD2 4.49Å; K178-L501 PolarHBondContact N-O 3.26Å; K178-L501 WeakPolarHBondContact O-CA 3.49Å
179	E	91.4	Very high	90.6	Very high	151 Å²	151	74.2 Å²	74.2	71%	0.706	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-72.4	144.2	169	-66.7	-60.2	151.5	0	0	110.8
180	R	86.9	Confident	91.1	Very high	113 Å²	113	71.6 Å²	71.6	43%	0.426	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60.6	139.2	177.5	-170.8	-179.4	-179.9	177.4	-0.4	110.5	Q182 S186 L501 E537	R180-Q182 PolarHBondContact O-N 3.16Å; R180-S186 PolarHBondContact NE-OG 2.86Å; R180-S186 PolarHBondContact NH2-O 3.28Å; R180-L501 HydrophobicContact CB-CD1 4.21Å; R180-L501 HydrophobicContact CB-CD2 4.47Å; R180-L501 HydrophobicContact CG-CD1 4.37Å; R180-E537 VanDerWaalsContact CG-OE1 3.28Å; R180-E537 WeakPolarHBondContact CG-OE1 3.34Å
181	D	79.6	Confident	91.5	Very high	48 Å²	48	70 Å²	70	26%	0.257	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.2	117	171.5	-164.9	-31.2	0	0	0	109.2	I183 L184 E537	D181-I183 WeakPolarHBondContact OD1-CA 3.09Å; D181-I183 VanDerWaalsContact OD1-CB 3.31Å; D181-I183 WeakPolarHBondContact OD1-CB 3.32Å; D181-I183 PolarHBondContact OD1-N 2.87Å; D181-L184 PolarHBondContact OD1-N 2.85Å; D181-E537 PolarHBondContact N-OE1 2.96Å
182	Q	79.8	Confident	91.8	Very high	190 Å²	190	64.2 Å²	64.2	89%	0.888	32%	0.318	S	S	*	.	S	Bend	trans	-89.6	-8.3	178.9	-63.7	-174.8	-1.7	0	0	112.8	R180	R180-Q182 PolarHBondContact O-N 3.16Å
183	I	80	Confident	91.9	Very high	154 Å²	154	62.4 Å²	62.4	79%	0.79	31%	0.311	S	S	*	.	S	Bend	trans	-91.8	-42.9	-173.2	-54.7	174.9	0	0	0	110.3	D181	D181-I183 WeakPolarHBondContact OD1-CA 3.09Å; D181-I183 VanDerWaalsContact OD1-CB 3.31Å; D181-I183 WeakPolarHBondContact OD1-CB 3.32Å; D181-I183 PolarHBondContact OD1-N 2.87Å
184	L	78.1	Confident	92	Very high	101 Å²	101	59.2 Å²	59.2	53%	0.529	29%	0.29	S	S	.	.	S	Bend	trans	-100.4	136.8	179.8	-66.4	174.7	0	0	0	111.2	D181 S186	D181-L184 PolarHBondContact OD1-N 2.85Å; L184-S186 PolarHBondContact O-N 3.12Å; L184-S186 VanDerWaalsContact O-N 3.17Å
185	P	83.1	Confident	92	Very high	43 Å²	43	54.4 Å²	54.4	28%	0.279	27%	0.272	S	S	.	.			trans	-59.4	120.3	170.9	-20.7	31.7	0	0	0	110.1	M343 P540	P185-M343 HydrophobicContact CB-CG 3.67Å; P185-M343 HydrophobicContact CG-CG 4.28Å; P185-P540 WeakPolarHBondContact O-CD 3.21Å; P185-P540 WeakPolarHBondContact O-CG 3.42Å
186	S	89.6	Confident	92.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	26%	0.26	C	S	.	.			trans	-133	147.9	177.1	66.4	0	0	0	0	109.9	R180 L184 E537 L538	R180-S186 PolarHBondContact NE-OG 2.86Å; R180-S186 PolarHBondContact NH2-O 3.28Å; L184-S186 PolarHBondContact O-N 3.12Å; L184-S186 VanDerWaalsContact O-N 3.17Å; S186-E537 WeakPolarHBondContact OG-CG 3.17Å; S186-E537 PolarHBondContact OG-OE1 2.97Å; S186-E537 VanDerWaalsContact OG-OE1 3.05Å; S186-L538 CarbonylContact C-O 3.56Å; S186-L538 WeakPolarHBondContact CA-O 3.45Å
187	A	92.7	Very high	92.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.8	169.4	0	0	0	0	0	109.5	V334 L338 F339 E537 L538	A187-V334 HydrophobicContact CB-CG1 4.49Å; A187-L338 HydrophobicContact CB-CB 3.89Å; A187-F339 HydrophobicContact CB-CD1 3.84Å; A187-F339 HydrophobicContact CB-CD2 4.02Å; A187-F339 HydrophobicContact CB-CE1 3.59Å; A187-F339 HydrophobicContact CB-CE2 3.78Å; A187-F339 HydrophobicContact CB-CG 4.04Å; A187-F339 HydrophobicContact CB-CZ 3.54Å; A187-E537 CarbonylContact O-C 3.54Å; A187-E537 WeakPolarHBondContact O-CA 3.47Å; A187-L538 HydrophobicContact CB-CB 4.31Å; A187-L538 PolarHBondContact N-O 3.1Å; A187-L538 PolarHBondContact O-N 3.34Å
188	S	94.6	Very high	92.1	Very high	16 Å²	16	44.5 Å²	44.5	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.9	172.9	-175.8	0	0	0	0	110.6	Q535 L536	S188-Q535 WeakPolarHBondContact OG-CG 3.21Å; S188-Q535 PolarHBondContact OG-NE2 2.81Å; S188-L536 VanDerWaalsContact CA-O 3.3Å; S188-L536 WeakPolarHBondContact CA-O 3.33Å; S188-L536 PolarHBondContact OG-O 3.47Å
189	F	98.2	Very high	92.2	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.3	177.9	60.3	-90.5	0	0	0	111.1	V191 D234 I235 F292 L354 V406 M498 L536 L538	F189-V191 HydrophobicContact CD2-CG2 3.84Å; F189-V191 HydrophobicContact CE2-CG2 3.65Å; F189-D234 WeakPolarHBondContact CA-OD2 3.39Å; F189-D234 HydrophobicContact CB-CB 4.02Å; F189-D234 WeakPolarHBondContact CB-OD2 3.36Å; F189-I235 HydrophobicContact CD2-CD1 3.85Å; F189-I235 HydrophobicContact CE2-CD1 3.81Å; F189-F292 HydrophobicContact CB-CZ 4Å; F189-F292 HydrophobicContact CD1-CZ 4.28Å; F189-F292 HydrophobicContact CD2-CZ 4.17Å; F189-F292 AromaticContact CG-CZ 3.9Å; F189-F292 HydrophobicContact CG-CZ 3.9Å; F189-L354 HydrophobicContact CE1-CD2 4.37Å; F189-L354 HydrophobicContact CE2-CD2 4.03Å; F189-L354 HydrophobicContact CZ-CD1 4.4Å; F189-L354 HydrophobicContact CZ-CD2 3.73Å; F189-V406 HydrophobicContact CE2-CG2 4.47Å; F189-M498 HydrophobicContact CZ-SD 4.04Å; F189-L536 HydrophobicContact CE2-CB 4.22Å; F189-L536 HydrophobicContact CE2-CD1 4.02Å; F189-L536 HydrophobicContact CZ-CB 4.19Å; F189-L536 HydrophobicContact CZ-CD1 4.27Å; F189-L536 PolarHBondContact N-O 3.31Å; F189-L536 VanDerWaalsContact N-O 3.12Å; F189-L536 PolarHBondContact O-N 3.38Å; F189-L538 HydrophobicContact CE1-CB 3.85Å; F189-L538 HydrophobicContact CE1-CD2 4.26Å
190	T	98.8	Very high	92.4	Very high	25 Å²	25	39.5 Å²	39.5	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.4	178.7	47.9	0	0	0	0	112.2	A233 D234 I235 T534 Q535	T190-A233 VanDerWaalsContact OG1-CA 3.28Å; T190-A233 WeakPolarHBondContact OG1-CA 3.43Å; T190-D234 PolarHBondContact N-OD2 2.96Å; T190-D234 PolarHBondContact O-N 3.12Å; T190-D234 PolarHBondContact OG1-N 3.45Å; T190-D234 PolarHBondContact OG1-OD2 2.92Å; T190-I235 PolarHBondContact O-N 3.46Å; T190-T534 CarbonylContact C-O 3.28Å; T190-T534 WeakPolarHBondContact CA-O 3.34Å; T190-Q535 HydrophobicContact CG2-CB 4.07Å; T190-Q535 HydrophobicContact CG2-CG 4.21Å
191	V	98.9	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.7	179.4	-175.8	0	0	0	0	109.2	F189 I235 V406 C408 I491 L533 T534 L536	F189-V191 HydrophobicContact CD2-CG2 3.84Å; F189-V191 HydrophobicContact CE2-CG2 3.65Å; V191-I235 CarbonylContact C-O 3.53Å; V191-I235 WeakPolarHBondContact CA-O 3.3Å; V191-I235 HydrophobicContact CG1-CG2 4.44Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; V191-I235 HydrophobicContact CG2-CD1 4.39Å; V191-V406 HydrophobicContact CG1-CG1 3.79Å; V191-V406 HydrophobicContact CG2-CG1 4.12Å; V191-C408 VanDerWaalsContact CG1-SG 3.54Å; V191-I491 HydrophobicContact CG1-CD1 4.38Å; V191-I491 HydrophobicContact CG1-CG2 4.27Å; V191-I491 WeakPolarHBondContact O-CD1 3.43Å; V191-L533 WeakPolarHBondContact O-CA 3.44Å; V191-T534 HydrophobicContact CB-CG2 4.04Å; V191-T534 PolarHBondContact N-O 3.47Å; V191-T534 PolarHBondContact O-N 3.04Å; V191-L536 HydrophobicContact CG2-CD1 3.84Å; V191-L536 HydrophobicContact CG2-CG 4.41Å
192	M	98.9	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.3	173.8	-175.4	-177.7	-172.1	0	0	111.1	Y194 E227 I228 C231 A233 I235 I236 S237 S531 L532 L533	M192-Y194 HydrophobicContact CE-CD1 3.56Å; M192-Y194 HydrophobicContact CE-CE1 4.32Å; M192-Y194 HydrophobicContact CE-CG 4.11Å; M192-E227 HydrophobicContact CE-CG 4.36Å; M192-I228 HydrophobicContact CE-CG1 3.84Å; M192-I228 HydrophobicContact SD-CG1 4.15Å; M192-C231 HydrophobicContact SD-CB 4.29Å; M192-A233 HydrophobicContact CB-CB 3.58Å; M192-I235 PolarHBondContact N-O 3.4Å; M192-I236 HydrophobicContact CB-CG1 4.41Å; M192-I236 HydrophobicContact CB-CG2 4.43Å; M192-I236 HydrophobicContact SD-CG1 4.49Å; M192-I236 HydrophobicContact SD-CG2 4.06Å; M192-S237 WeakPolarHBondContact O-CB 3.35Å; M192-S237 PolarHBondContact O-N 2.95Å; M192-S531 VanDerWaalsContact CE-CB 3.48Å; M192-L532 CarbonylContact C-O 3.55Å; M192-L532 WeakPolarHBondContact CA-O 3.33Å; M192-L532 WeakPolarHBondContact CG-O 3.35Å; M192-L533 HydrophobicContact CB-CD1 4.11Å
193	C	98.9	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.4	169.3	-176.5	0	0	0	0	109	S237 Q239 C408 I491 L532	C193-S237 WeakPolarHBondContact CA-O 3.37Å; C193-Q239 PolarHBondContact SG-NE2 2.67Å; C193-Q239 VanDerWaalsContact SG-NE2 3.35Å; C193-C408 HydrophobicContact CB-CB 3.94Å; C193-I491 HydrophobicContact CB-CD1 3.94Å; C193-I491 HydrophobicContact CB-CG1 3.66Å; C193-L532 HydrophobicContact CB-CB 4.25Å; C193-L532 PolarHBondContact N-O 3.15Å; C193-L532 PolarHBondContact O-N 3.35Å
194	Y	98.9	Very high	95	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	114.8	-175.2	-170.8	-166.6	0	0	0	112.8	M192 V196 I224 E227 I228 S237 L238 Q239 H529	M192-Y194 HydrophobicContact CE-CD1 3.56Å; M192-Y194 HydrophobicContact CE-CE1 4.32Å; M192-Y194 HydrophobicContact CE-CG 4.11Å; Y194-V196 HydrophobicContact CD1-CG1 4.05Å; Y194-V196 HydrophobicContact CE1-CG1 4.42Å; Y194-V196 HydrophobicContact CG-CG1 4.25Å; Y194-V196 PolarHBondContact O-N 3.37Å; Y194-I224 HydrophobicContact CE1-CG2 4.13Å; Y194-E227 HydrophobicContact CE1-CG 4.48Å; Y194-E227 WeakPolarHBondContact CE1-OE2 3.37Å; Y194-E227 VanDerWaalsContact CZ-OE2 3.26Å; Y194-E227 PolarHBondContact OH-OE2 3.44Å; Y194-I228 HydrophobicContact CD1-CG1 4.36Å; Y194-S237 PolarHBondContact N-O 3.26Å; Y194-L238 HydrophobicContact CD1-CD2 4.5Å; Y194-L238 VanDerWaalsContact O-CA 3.27Å; Y194-L238 WeakPolarHBondContact O-CA 3.48Å; Y194-Q239 PolarHBondContact O-N 3.21Å; Y194-Q239 VanDerWaalsContact O-N 3.08Å; Y194-Q239 PolarHBondContact O-OE1 2.66Å; Y194-H529 WeakPolarHBondContact CE2-O 3.04Å
195	N	98.8	Very high	95.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.5	165.2	-174.6	-21.6	0	0	0	108.7	L197 Q239 E240 D410 S527 H529	N195-L197 VanDerWaalsContact C-N 3.28Å; N195-L197 PolarHBondContact O-N 3.35Å; N195-L197 PolarHBondContact OD1-N 2.74Å; N195-L197 VanDerWaalsContact OD1-N 3.11Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; N195-E240 PolarHBondContact ND2-OE1 2.87Å; N195-E240 WeakPolarHBondContact OD1-CB 3.36Å; N195-E240 WeakPolarHBondContact OD1-CG 3.4Å; N195-D410 PolarHBondContact ND2-OD2 3.45Å; N195-S527 PolarHBondContact O-OG 2.98Å; N195-H529 HydrophobicContact CB-CB 4.06Å; N195-H529 PolarHBondContact ND2-NE2 3.3Å
196	V	98.5	Very high	96.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.146	C	C	.	.			trans	-86.5	2.3	-171.5	-59.3	0	0	0	0	113.8	Y194 R220 I224 L238 Q239 V241 F250	Y194-V196 HydrophobicContact CD1-CG1 4.05Å; Y194-V196 HydrophobicContact CE1-CG1 4.42Å; Y194-V196 HydrophobicContact CG-CG1 4.25Å; Y194-V196 PolarHBondContact O-N 3.37Å; V196-R220 PolarHBondContact O-NH1 2.92Å; V196-I224 HydrophobicContact CB-CD1 4.22Å; V196-I224 HydrophobicContact CB-CG2 4.26Å; V196-I224 HydrophobicContact CG1-CG2 3.85Å; V196-L238 HydrophobicContact CG1-CD1 4.4Å; V196-L238 HydrophobicContact CG1-CD2 4.08Å; V196-Q239 WeakPolarHBondContact CG2-O 3.34Å; V196-Q239 PolarHBondContact N-O 3.03Å; V196-Q239 VanDerWaalsContact N-O 3.08Å; V196-V241 HydrophobicContact CG2-CG2 4.08Å; V196-F250 HydrophobicContact CG1-CZ 4.48Å; V196-F250 HydrophobicContact CG2-CZ 4.42Å
197	L	98.3	Very high	96.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.148	C	C	.	.			trans	52.6	96.8	-174.8	-179.3	66.5	0	0	0	112.2	N195 A202 Y207 R220 E240 P521	N195-L197 VanDerWaalsContact C-N 3.28Å; N195-L197 PolarHBondContact O-N 3.35Å; N195-L197 PolarHBondContact OD1-N 2.74Å; N195-L197 VanDerWaalsContact OD1-N 3.11Å; L197-A202 HydrophobicContact CD2-CB 4.01Å; L197-A202 HydrophobicContact CG-CB 4.33Å; L197-Y207 HydrophobicContact CD1-CE2 4.25Å; L197-Y207 VanDerWaalsContact CD1-OH 3.27Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.35Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; L197-R220 PolarHBondContact O-NH1 2.84Å; L197-R220 PolarHBondContact O-NH2 2.97Å; L197-E240 WeakPolarHBondContact CA-OE2 3.43Å; L197-P521 HydrophobicContact CD2-CG 3.24Å
198	C	96.7	Very high	96.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.155	C	C	.	.			trans	-56.5	143.8	-179.2	-179.5	0	0	0	0	111.2	K200 Y201 A202 E240 D281	C198-K200 VanDerWaalsContact C-N 3.25Å; C198-K200 HydrophobicContact CB-CG 4.33Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.15Å; C198-K200 VanDerWaalsContact SG-CE 3.55Å; C198-Y201 HydrophobicContact CB-CD2 3.55Å; C198-Y201 HydrophobicContact CB-CE2 3.7Å; C198-Y201 PolarHBondContact O-N 3.06Å; C198-A202 PolarHBondContact O-N 2.79Å; C198-E240 HydrophobicContact CB-CB 4.01Å; C198-E240 VanDerWaalsContact CB-O 3.31Å; C198-E240 WeakPolarHBondContact CB-O 3.12Å; C198-E240 PolarHBondContact N-OE2 2.56Å; C198-D281 HydrophobicContact CB-CB 4Å
199	D	95.5	Very high	96.7	Very high	65 Å²	65	30.7 Å²	30.7	35%	0.348	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-52	-41.7	-175.3	-171.8	45.4	0	0	0	113.5	Y201 A202 W217	D199-Y201 PolarHBondContact O-N 2.7Å; D199-A202 PolarHBondContact O-N 3.1Å; D199-W217 HydrophobicContact CB-CB 3.98Å; D199-W217 HydrophobicContact CB-CG 4.36Å; D199-W217 VanDerWaalsContact OD1-CB 3.29Å; D199-W217 WeakPolarHBondContact OD1-CB 3.07Å; D199-W217 PolarHBondContact OD1-N 3.19Å
200	K	95.2	Very high	96.6	Very high	68 Å²	68	30.6 Å²	30.6	30%	0.296	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-59	-21.9	177.7	70.5	-176.2	163	141	0	114.7	C198 T203 D281	C198-K200 VanDerWaalsContact C-N 3.25Å; C198-K200 HydrophobicContact CB-CG 4.33Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.15Å; C198-K200 VanDerWaalsContact SG-CE 3.55Å; K200-T203 WeakPolarHBondContact O-CG2 3.41Å; K200-D281 VanDerWaalsContact CE-OD1 3.26Å; K200-D281 WeakPolarHBondContact CE-OD1 3.48Å; K200-D281 IonicContact NZ-OD1 2.68Å; K200-D281 PolarHBondContact NZ-OD1 2.97Å; K200-D281 IonicContact NZ-OD2 3.06Å
201	Y	96.3	Very high	96.5	Very high	63 Å²	63	29.7 Å²	29.7	25%	0.247	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-93.7	-23.2	179	-53.3	-55.6	0	0	0	111.8	C198 D199 T203 L206 Y207 E240 K266 D281	C198-Y201 HydrophobicContact CB-CD2 3.55Å; C198-Y201 HydrophobicContact CB-CE2 3.7Å; C198-Y201 PolarHBondContact O-N 3.06Å; D199-Y201 PolarHBondContact O-N 2.7Å; Y201-T203 PolarHBondContact O-N 3.03Å; Y201-L206 WeakPolarHBondContact O-CD1 3.39Å; Y201-Y207 VanDerWaalsContact O-CE2 3.25Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.34Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.38Å; Y201-E240 HydrophobicContact CE2-CG 4.28Å; Y201-E240 WeakPolarHBondContact CE2-OE2 2.93Å; Y201-K266 PolarHBondContact OH-NZ 2.82Å; Y201-D281 PolarHBondContact OH-OD1 3.1Å; Y201-D281 PolarHBondContact OH-OD2 3.09Å
202	A	97.3	Very high	96.4	Very high	10 Å²	10	32 Å²	32	8%	0.083	16%	0.163	C	C	.	.			trans	-73.7	61.4	180	0	0	0	0	0	113.1	L197 C198 D199 L215	L197-A202 HydrophobicContact CD2-CB 4.01Å; L197-A202 HydrophobicContact CG-CB 4.33Å; C198-A202 PolarHBondContact O-N 2.79Å; D199-A202 PolarHBondContact O-N 3.1Å; A202-L215 HydrophobicContact CB-CD2 4.38Å
203	T	95.6	Very high	96.3	Very high	44 Å²	44	36.1 Å²	36.1	27%	0.27	18%	0.178	S	C	.	.			trans	-106.4	153.1	-173.8	71.2	0	0	0	0	112.7	K200 Y201 Q205 L206 Y207	K200-T203 WeakPolarHBondContact O-CG2 3.41Å; Y201-T203 PolarHBondContact O-N 3.03Å; T203-Q205 PolarHBondContact O-N 3.42Å; T203-Q205 PolarHBondContact OG1-OE1 2.74Å; T203-L206 PolarHBondContact O-N 3.33Å; T203-L206 VanDerWaalsContact O-N 3.16Å; T203-Y207 WeakPolarHBondContact O-CD2 3.44Å; T203-Y207 PolarHBondContact O-N 3.46Å
204	R	93.1	Very high	96.2	Very high	46 Å²	46	36.2 Å²	36.2	17%	0.174	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.9	175.3	-78	-68.6	-155	160.3	12	113.5	D160 L206 G208 C210 S212 L215	D160-R204 VanDerWaalsContact CG-NH2 3.28Å; D160-R204 IonicContact OD1-CZ 3.78Å; D160-R204 IonicContact OD1-NH2 3.68Å; D160-R204 PolarHBondContact OD1-NH2 3.42Å; D160-R204 IonicContact OD2-NH2 2.69Å; D160-R204 PolarHBondContact OD2-NH2 3.47Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-G208 PolarHBondContact NH1-O 2.76Å; R204-G208 VanDerWaalsContact O-CA 3.24Å; R204-G208 WeakPolarHBondContact O-CA 3.49Å; R204-G208 PolarHBondContact O-N 2.99Å; R204-C210 PolarHBondContact NE-O 2.91Å; R204-C210 PolarHBondContact NH1-O 2.74Å; R204-S212 VanDerWaalsContact CZ-N 3.34Å; R204-S212 PolarHBondContact NE-OG 3.05Å; R204-S212 VanDerWaalsContact NH2-N 3.13Å; R204-S212 PolarHBondContact NH2-OG 3.46Å; R204-L215 HydrophobicContact CG-CD1 4.04Å
205	Q	92.3	Very high	96.2	Very high	166 Å²	166	36.5 Å²	36.5	78%	0.776	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-37.1	176.5	-68.3	80.5	0.8	0	0	111.6	T203	T203-Q205 PolarHBondContact O-N 3.42Å; T203-Q205 PolarHBondContact OG1-OE1 2.74Å
206	L	93.8	Very high	96.1	Very high	108 Å²	108	40.3 Å²	40.3	57%	0.565	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-37.7	178	-66.6	174.3	0	0	0	111.8	Y201 T203 R204	Y201-L206 WeakPolarHBondContact O-CD1 3.39Å; T203-L206 PolarHBondContact O-N 3.33Å; T203-L206 VanDerWaalsContact O-N 3.16Å; R204-L206 VanDerWaalsContact C-N 3.34Å
207	Y	96.8	Very high	96.1	Very high	15 Å²	15	41 Å²	41	6%	0.059	20%	0.203	C	C	.	.			trans	-120	53.5	-172	-52.1	-66.1	0	0	0	111.5	L197 Y201 T203 Y209 C210 L215 T481 P521 D528	L197-Y207 HydrophobicContact CD1-CE2 4.25Å; L197-Y207 VanDerWaalsContact CD1-OH 3.27Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.35Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; Y201-Y207 VanDerWaalsContact O-CE2 3.25Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.34Å; T203-Y207 WeakPolarHBondContact O-CD2 3.44Å; T203-Y207 PolarHBondContact O-N 3.46Å; Y207-Y209 HydrophobicContact CD1-CE2 4.35Å; Y207-Y209 AromaticContact CD1-CZ 3.83Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.49Å; Y207-Y209 PolarHBondContact O-N 2.86Å; Y207-C210 PolarHBondContact O-N 2.93Å; Y207-L215 HydrophobicContact CD2-CD2 4.01Å; Y207-L215 HydrophobicContact CG-CD2 4.17Å; Y207-T481 HydrophobicContact CE1-CG2 4.02Å; Y207-P521 VanDerWaalsContact CD1-CD 3.42Å; Y207-D528 HydrophobicContact CE1-CB 4.04Å; Y207-D528 VanDerWaalsContact OH-CG 3.27Å; Y207-D528 PolarHBondContact OH-OD2 2.79Å
208	G	95	Very high	96.1	Very high	13 Å²	13	45.8 Å²	45.8	13%	0.134	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	-177	0	0	0	0	0	114.2	F125 L159 R204 C210	F125-G208 WeakPolarHBondContact CB-O 3.48Å; L159-G208 VanDerWaalsContact CD2-O 3.29Å; L159-G208 WeakPolarHBondContact CD2-O 3.23Å; R204-G208 PolarHBondContact NH1-O 2.76Å; R204-G208 VanDerWaalsContact O-CA 3.24Å; R204-G208 WeakPolarHBondContact O-CA 3.49Å; R204-G208 PolarHBondContact O-N 2.99Å; G208-C210 VanDerWaalsContact C-N 3.33Å
209	Y	95.1	Very high	96.1	Very high	15 Å²	15	50.1 Å²	50.1	6%	0.059	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.8	175.7	48.8	-98	0	0	0	114.8	F125 Y207 T481 F482 G519 C520	F125-Y209 HydrophobicContact CD1-CD1 4.43Å; F125-Y209 HydrophobicContact CE1-CD1 4.06Å; F125-Y209 HydrophobicContact CE1-CG 4.41Å; F125-Y209 HydrophobicContact CE2-CD1 4.32Å; F125-Y209 HydrophobicContact CZ-CD1 4.01Å; Y207-Y209 HydrophobicContact CD1-CE2 4.35Å; Y207-Y209 AromaticContact CD1-CZ 3.83Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.49Å; Y207-Y209 PolarHBondContact O-N 2.86Å; Y209-T481 WeakPolarHBondContact OH-CA 3.37Å; Y209-T481 WeakPolarHBondContact OH-CB 3.33Å; Y209-F482 HydrophobicContact CD1-CB 3.78Å; Y209-F482 HydrophobicContact CE1-CB 3.43Å; Y209-F482 VanDerWaalsContact CE1-CB 3.43Å; Y209-F482 PolarHBondContact OH-N 2.8Å; Y209-G519 WeakPolarHBondContact CE2-O 3.03Å; Y209-C520 PolarHBondContact OH-O 2.81Å
210	C	96.8	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-104.4	127.2	-175.6	-171.9	0	0	0	0	111.4	R204 Y207 G208 L215 P521	R204-C210 PolarHBondContact NE-O 2.91Å; R204-C210 PolarHBondContact NH1-O 2.74Å; Y207-C210 PolarHBondContact O-N 2.93Å; G208-C210 VanDerWaalsContact C-N 3.33Å; C210-L215 HydrophobicContact CB-CD1 4.26Å; C210-L215 HydrophobicContact CB-CD2 3.78Å; C210-L215 HydrophobicContact CB-CG 3.87Å; C210-P521 VanDerWaalsContact CB-O 3.23Å; C210-P521 WeakPolarHBondContact CB-O 3.45Å; C210-P521 PolarHBondContact SG-O 2.85Å
211	P	96.8	Very high	96.4	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.032	22%	0.22	C	C	.	.			trans	-50.9	145.8	176.6	-26.9	34.1	0	0	0	114	L159 D160 W213 A214 L215 P523	L159-P211 HydrophobicContact CD1-CG 4.05Å; L159-P211 HydrophobicContact CG-CG 4.06Å; D160-P211 WeakPolarHBondContact OD1-CA 3.24Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.18Å; P211-W213 HydrophobicContact CB-CG 4.32Å; P211-W213 HydrophobicContact CB-CZ2 4.08Å; P211-W213 HydrophobicContact CG-CZ2 4.19Å; P211-W213 PolarHBondContact O-N 2.96Å; P211-A214 HydrophobicContact CB-CB 4.18Å; P211-A214 WeakPolarHBondContact O-CB 3.28Å; P211-A214 PolarHBondContact O-N 2.86Å; P211-L215 PolarHBondContact O-N 3.42Å; P211-P523 HydrophobicContact CG-CG 4.06Å
212	S	96.9	Very high	96.4	Very high	50 Å²	50	49 Å²	49	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-40.4	-176.3	-47	0	0	0	0	111.5	D160 R204 A214 L215 N216	D160-S212 WeakPolarHBondContact OD1-CB 3.34Å; D160-S212 PolarHBondContact OD1-N 2.96Å; D160-S212 PolarHBondContact OD1-OG 3.18Å; D160-S212 WeakPolarHBondContact OD2-CB 3.4Å; D160-S212 PolarHBondContact OD2-OG 2.8Å; R204-S212 VanDerWaalsContact CZ-N 3.34Å; R204-S212 PolarHBondContact NE-OG 3.05Å; R204-S212 VanDerWaalsContact NH2-N 3.13Å; R204-S212 PolarHBondContact NH2-OG 3.46Å; S212-A214 VanDerWaalsContact C-N 3.31Å; S212-L215 PolarHBondContact O-N 3.06Å; S212-N216 PolarHBondContact O-N 2.86Å
213	W	96.7	Very high	96.3	Very high	86 Å²	86	49.7 Å²	49.7	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-70.3	-28.5	177.9	58.1	-101.3	0	0	0	112.5	D160 V164 P211 N216 Y219 P523	D160-W213 PolarHBondContact O-NE1 2.84Å; V164-W213 HydrophobicContact CB-CH2 4.38Å; V164-W213 HydrophobicContact CG2-CH2 3.88Å; V164-W213 HydrophobicContact CG2-CZ2 3.86Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.18Å; P211-W213 HydrophobicContact CB-CG 4.32Å; P211-W213 HydrophobicContact CB-CZ2 4.08Å; P211-W213 HydrophobicContact CG-CZ2 4.19Å; P211-W213 PolarHBondContact O-N 2.96Å; W213-N216 WeakPolarHBondContact O-CB 3.3Å; W213-Y219 HydrophobicContact CE3-CD2 4.01Å; W213-Y219 HydrophobicContact CE3-CE1 4.41Å; W213-Y219 AromaticContact CE3-CE2 3.91Å; W213-Y219 HydrophobicContact CE3-CE2 3.91Å; W213-Y219 HydrophobicContact CE3-CG 4.32Å; W213-Y219 HydrophobicContact CZ3-CD1 4.48Å; W213-Y219 HydrophobicContact CZ3-CD2 4.19Å; W213-Y219 AromaticContact CZ3-CE1 3.95Å; W213-Y219 HydrophobicContact CZ3-CE1 3.95Å; W213-Y219 AromaticContact CZ3-CE2 3.63Å; W213-Y219 HydrophobicContact CZ3-CE2 3.63Å; W213-Y219 AromaticContact CZ3-CZ 3.5Å; W213-Y219 WeakPolarHBondContact O-CB 3.42Å; W213-P523 HydrophobicContact CH2-CB 3.67Å; W213-P523 HydrophobicContact CH2-CG 3.7Å; W213-P523 HydrophobicContact CZ2-CG 4.17Å; W213-P523 HydrophobicContact CZ3-CB 4.12Å; W213-P523 HydrophobicContact CZ3-CG 4.31Å
214	A	96.4	Very high	96.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-80.9	-27.9	177.8	0	0	0	0	0	112.1	P211 S212 Y219 R220 P523	P211-A214 HydrophobicContact CB-CB 4.18Å; P211-A214 WeakPolarHBondContact O-CB 3.28Å; P211-A214 PolarHBondContact O-N 2.86Å; S212-A214 VanDerWaalsContact C-N 3.31Å; A214-Y219 HydrophobicContact CB-CD1 4.38Å; A214-Y219 HydrophobicContact CB-CE1 4.39Å; A214-R220 WeakPolarHBondContact O-CD 3.38Å; A214-R220 WeakPolarHBondContact O-CG 3.43Å; A214-P523 HydrophobicContact CB-CB 4.35Å; A214-P523 HydrophobicContact CB-CG 3.83Å
215	L	97.7	Very high	96.7	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-73.4	-28.1	171.6	-72.4	175.4	0	0	0	113.1	A202 R204 Y207 C210 P211 S212 W217 R220 P521	A202-L215 HydrophobicContact CB-CD2 4.38Å; R204-L215 HydrophobicContact CG-CD1 4.04Å; Y207-L215 HydrophobicContact CD2-CD2 4.01Å; Y207-L215 HydrophobicContact CG-CD2 4.17Å; C210-L215 HydrophobicContact CB-CD1 4.26Å; C210-L215 HydrophobicContact CB-CD2 3.78Å; C210-L215 HydrophobicContact CB-CG 3.87Å; P211-L215 PolarHBondContact O-N 3.42Å; S212-L215 PolarHBondContact O-N 3.06Å; L215-W217 PolarHBondContact O-N 2.87Å; L215-R220 VanDerWaalsContact O-CD 3.27Å; L215-R220 WeakPolarHBondContact O-CD 3.33Å; L215-R220 PolarHBondContact O-NE 3.27Å; L215-P521 HydrophobicContact CD2-CB 4.26Å; L215-P521 HydrophobicContact CD2-CG 4.18Å
216	N	97.9	Very high	96.9	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	22%	0.217	S	C	.	.	S	Bend	trans	-58.5	130.4	-178.4	-171.7	-70.8	0	0	0	111.9	S212 W213 E218 Y219 R220	S212-N216 PolarHBondContact O-N 2.86Å; W213-N216 WeakPolarHBondContact O-CB 3.3Å; N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 2.99Å; N216-E218 VanDerWaalsContact OD1-CB 3.26Å; N216-E218 WeakPolarHBondContact OD1-CB 3.06Å; N216-E218 PolarHBondContact OD1-N 2.97Å; N216-Y219 WeakPolarHBondContact O-CB 2.99Å; N216-Y219 PolarHBondContact O-N 2.96Å; N216-R220 PolarHBondContact O-N 2.95Å
217	W	98.2	Very high	97.1	Very high	15 Å²	15	41.1 Å²	41.1	6%	0.057	20%	0.2	C	C	.	.	H	α-helix	trans	-51.9	-39.5	178.4	179.2	-114.8	0	0	0	114.8	D199 L215 Y219 R220 K221 I224 Q245 L249 F250	D199-W217 HydrophobicContact CB-CB 3.98Å; D199-W217 HydrophobicContact CB-CG 4.36Å; D199-W217 VanDerWaalsContact OD1-CB 3.29Å; D199-W217 WeakPolarHBondContact OD1-CB 3.07Å; D199-W217 PolarHBondContact OD1-N 3.19Å; L215-W217 PolarHBondContact O-N 2.87Å; W217-Y219 PolarHBondContact O-N 3.44Å; W217-Y219 VanDerWaalsContact O-N 3.17Å; W217-R220 PolarHBondContact O-N 2.9Å; W217-K221 HydrophobicContact CD2-CB 4.05Å; W217-K221 HydrophobicContact CE3-CB 4.43Å; W217-K221 HydrophobicContact CH2-CB 4.18Å; W217-K221 HydrophobicContact CZ2-CB 3.75Å; W217-K221 VanDerWaalsContact O-CB 3.27Å; W217-K221 WeakPolarHBondContact O-CB 3.2Å; W217-K221 VanDerWaalsContact O-CG 3.29Å; W217-K221 WeakPolarHBondContact O-CG 3.25Å; W217-K221 PolarHBondContact O-N 2.93Å; W217-I224 HydrophobicContact CH2-CD1 4.17Å; W217-I224 HydrophobicContact CZ3-CD1 3.71Å; W217-Q245 HydrophobicContact CZ2-CB 3.87Å; W217-Q245 HydrophobicContact CZ2-CG 3.7Å; W217-L249 HydrophobicContact CZ2-CD2 3.88Å; W217-F250 HydrophobicContact CH2-CE2 4.09Å; W217-F250 HydrophobicContact CH2-CZ 4.01Å; W217-F250 HydrophobicContact CZ2-CE2 4.21Å; W217-F250 HydrophobicContact CZ2-CZ 4.44Å
218	E	97.8	Very high	97.2	Very high	103 Å²	103	40.4 Å²	40.4	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-61.7	-27.2	-179.7	-66.6	-60.7	116.4	0	0	112.8	N216 K221	N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 2.99Å; N216-E218 VanDerWaalsContact OD1-CB 3.26Å; N216-E218 WeakPolarHBondContact OD1-CB 3.06Å; N216-E218 PolarHBondContact OD1-N 2.97Å; E218-K221 IonicContact OE1-NZ 3.03Å; E218-K221 PolarHBondContact OE1-NZ 3.14Å; E218-K221 VanDerWaalsContact OE2-CE 3.23Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.78Å; E218-K221 PolarHBondContact OE2-NZ 2.82Å
219	Y	97.3	Very high	97.3	Very high	91 Å²	91	41.8 Å²	41.8	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-81	-56	171	-174	-91.6	0	0	0	111	W213 A214 N216 W217 K221 K222 P523	W213-Y219 HydrophobicContact CE3-CD2 4.01Å; W213-Y219 HydrophobicContact CE3-CE1 4.41Å; W213-Y219 AromaticContact CE3-CE2 3.91Å; W213-Y219 HydrophobicContact CE3-CE2 3.91Å; W213-Y219 HydrophobicContact CE3-CG 4.32Å; W213-Y219 HydrophobicContact CZ3-CD1 4.48Å; W213-Y219 HydrophobicContact CZ3-CD2 4.19Å; W213-Y219 AromaticContact CZ3-CE1 3.95Å; W213-Y219 HydrophobicContact CZ3-CE1 3.95Å; W213-Y219 AromaticContact CZ3-CE2 3.63Å; W213-Y219 HydrophobicContact CZ3-CE2 3.63Å; W213-Y219 AromaticContact CZ3-CZ 3.5Å; W213-Y219 WeakPolarHBondContact O-CB 3.42Å; A214-Y219 HydrophobicContact CB-CD1 4.38Å; A214-Y219 HydrophobicContact CB-CE1 4.39Å; N216-Y219 WeakPolarHBondContact O-CB 2.99Å; N216-Y219 PolarHBondContact O-N 2.96Å; W217-Y219 PolarHBondContact O-N 3.44Å; W217-Y219 VanDerWaalsContact O-N 3.17Å; Y219-K221 VanDerWaalsContact C-N 3.33Å; Y219-K221 PolarHBondContact O-N 2.8Å; Y219-K222 WeakPolarHBondContact O-CB 3.33Å; Y219-K222 PolarHBondContact O-N 3.17Å; Y219-P523 PolarHBondContact OH-O 3.34Å; Y219-P523 VanDerWaalsContact OH-O 3.07Å
220	R	97.9	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-40.6	-173.2	-64	-171	-49.9	106.6	-6.1	113.1	V196 L197 A214 L215 N216 W217 K222 G223 I224 P526	V196-R220 PolarHBondContact O-NH1 2.92Å; L197-R220 PolarHBondContact O-NH1 2.84Å; L197-R220 PolarHBondContact O-NH2 2.97Å; A214-R220 WeakPolarHBondContact O-CD 3.38Å; A214-R220 WeakPolarHBondContact O-CG 3.43Å; L215-R220 VanDerWaalsContact O-CD 3.27Å; L215-R220 WeakPolarHBondContact O-CD 3.33Å; L215-R220 PolarHBondContact O-NE 3.27Å; N216-R220 PolarHBondContact O-N 2.95Å; W217-R220 PolarHBondContact O-N 2.9Å; R220-K222 PolarHBondContact O-N 2.99Å; R220-K222 VanDerWaalsContact O-N 3.11Å; R220-G223 PolarHBondContact O-N 2.91Å; R220-G223 VanDerWaalsContact O-N 3.11Å; R220-I224 HydrophobicContact CB-CD1 4.19Å; R220-I224 WeakPolarHBondContact O-CG1 3.28Å; R220-I224 PolarHBondContact O-N 3.34Å; R220-P526 HydrophobicContact CB-CB 3.93Å; R220-P526 VanDerWaalsContact CD-O 3.23Å; R220-P526 WeakPolarHBondContact CD-O 3.28Å; R220-P526 HydrophobicContact CG-CB 4.27Å; R220-P526 PolarHBondContact NH1-O 3.35Å; R220-P526 WeakPolarHBondContact O-CB 3.49Å
221	K	98.1	Very high	97.4	Very high	41 Å²	41	48.9 Å²	48.9	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-28.5	-177.1	77.1	-174.6	-176.5	-176.3	0	113.2	W217 E218 Y219 M225 L249	W217-K221 HydrophobicContact CD2-CB 4.05Å; W217-K221 HydrophobicContact CE3-CB 4.43Å; W217-K221 HydrophobicContact CH2-CB 4.18Å; W217-K221 HydrophobicContact CZ2-CB 3.75Å; W217-K221 VanDerWaalsContact O-CB 3.27Å; W217-K221 WeakPolarHBondContact O-CB 3.2Å; W217-K221 VanDerWaalsContact O-CG 3.29Å; W217-K221 WeakPolarHBondContact O-CG 3.25Å; W217-K221 PolarHBondContact O-N 2.93Å; E218-K221 IonicContact OE1-NZ 3.03Å; E218-K221 PolarHBondContact OE1-NZ 3.14Å; E218-K221 VanDerWaalsContact OE2-CE 3.23Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.78Å; E218-K221 PolarHBondContact OE2-NZ 2.82Å; Y219-K221 VanDerWaalsContact C-N 3.33Å; Y219-K221 PolarHBondContact O-N 2.8Å; K221-M225 WeakPolarHBondContact O-CB 3.41Å; K221-M225 VanDerWaalsContact O-CG 3.27Å; K221-M225 WeakPolarHBondContact O-CG 3.4Å; K221-M225 PolarHBondContact O-N 3.09Å; K221-L249 HydrophobicContact CB-CD2 3.83Å; K221-L249 HydrophobicContact CD-CD2 4.25Å; K221-L249 HydrophobicContact CG-CD2 4.4Å
222	K	97.3	Very high	97.5	Very high	133 Å²	133	52.2 Å²	52.2	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-53.4	175.8	-61.7	-179.9	-176.3	178	0	110.5	Y219 R220 I224 M225 E226	Y219-K222 WeakPolarHBondContact O-CB 3.33Å; Y219-K222 PolarHBondContact O-N 3.17Å; R220-K222 PolarHBondContact O-N 2.99Å; R220-K222 VanDerWaalsContact O-N 3.11Å; K222-I224 VanDerWaalsContact C-N 3.34Å; K222-I224 PolarHBondContact O-N 3.1Å; K222-M225 PolarHBondContact O-N 3.46Å; K222-E226 WeakPolarHBondContact O-CB 3.42Å; K222-E226 VanDerWaalsContact O-CG 3.29Å; K222-E226 WeakPolarHBondContact O-CG 3.43Å; K222-E226 PolarHBondContact O-N 3.26Å
223	G	96	Very high	97.6	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-39.7	177.6	0	0	0	0	0	112.9	R220 E226 E227	R220-G223 PolarHBondContact O-N 2.91Å; R220-G223 VanDerWaalsContact O-N 3.11Å; G223-E226 PolarHBondContact O-N 2.98Å; G223-E227 WeakPolarHBondContact O-CB 3.28Å; G223-E227 PolarHBondContact O-N 3.09Å
224	I	98.5	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-48.5	176.3	-68.3	160.9	0	0	0	110.5	Y194 V196 W217 R220 K222 E227 I228 F250 P526	Y194-I224 HydrophobicContact CE1-CG2 4.13Å; V196-I224 HydrophobicContact CB-CD1 4.22Å; V196-I224 HydrophobicContact CB-CG2 4.26Å; V196-I224 HydrophobicContact CG1-CG2 3.85Å; W217-I224 HydrophobicContact CH2-CD1 4.17Å; W217-I224 HydrophobicContact CZ3-CD1 3.71Å; R220-I224 HydrophobicContact CB-CD1 4.19Å; R220-I224 WeakPolarHBondContact O-CG1 3.28Å; R220-I224 PolarHBondContact O-N 3.34Å; K222-I224 VanDerWaalsContact C-N 3.34Å; K222-I224 PolarHBondContact O-N 3.1Å; I224-E227 PolarHBondContact O-N 3.35Å; I224-I228 HydrophobicContact CG2-CD1 3.82Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.29Å; I224-I228 PolarHBondContact O-N 2.91Å; I224-F250 HydrophobicContact CG2-CE1 3.95Å; I224-F250 HydrophobicContact CG2-CZ 4.15Å; I224-P526 HydrophobicContact CD1-CB 4.36Å; I224-P526 HydrophobicContact CG1-CB 3.85Å; I224-P526 HydrophobicContact CG1-CG 3.67Å
225	M	98.4	Very high	97.8	Very high	22 Å²	22	46 Å²	46	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-38.5	179.3	-74	-57.5	-54.5	0	0	112.4	K221 K222 E227 I228 V229 L249 F250 A253	K221-M225 WeakPolarHBondContact O-CB 3.41Å; K221-M225 VanDerWaalsContact O-CG 3.27Å; K221-M225 WeakPolarHBondContact O-CG 3.4Å; K221-M225 PolarHBondContact O-N 3.09Å; K222-M225 PolarHBondContact O-N 3.46Å; M225-E227 VanDerWaalsContact C-N 3.34Å; M225-I228 PolarHBondContact O-N 3.3Å; M225-I228 HydrophobicContact SD-CD1 4.39Å; M225-V229 HydrophobicContact CE-CG2 4.45Å; M225-V229 VanDerWaalsContact O-CB 3.28Å; M225-V229 WeakPolarHBondContact O-CB 3.28Å; M225-V229 WeakPolarHBondContact O-CG2 3.21Å; M225-V229 PolarHBondContact O-N 3.41Å; M225-L249 HydrophobicContact CG-CD1 4.11Å; M225-L249 HydrophobicContact CG-CD2 4.1Å; M225-L249 HydrophobicContact CG-CG 4.16Å; M225-L249 HydrophobicContact SD-CD2 4.45Å; M225-L249 HydrophobicContact SD-CG 4.26Å; M225-F250 HydrophobicContact SD-CD1 3.49Å; M225-F250 WeakPolarHBondContact SD-CD1 3.36Å; M225-F250 HydrophobicContact SD-CE1 3.69Å; M225-F250 HydrophobicContact SD-CG 4.41Å; M225-A253 HydrophobicContact CE-CB 3.68Å
226	E	96.7	Very high	97.9	Very high	119 Å²	119	45.7 Å²	45.7	56%	0.556	23%	0.228	S	C	*	.	H	α-helix	trans	-58.9	-45.6	173.3	-76.8	170.4	-171.3	0	0	111	K222 G223 V229 N230	K222-E226 WeakPolarHBondContact O-CB 3.42Å; K222-E226 VanDerWaalsContact O-CG 3.29Å; K222-E226 WeakPolarHBondContact O-CG 3.43Å; K222-E226 PolarHBondContact O-N 3.26Å; G223-E226 PolarHBondContact O-N 2.98Å; E226-V229 PolarHBondContact O-N 3.14Å; E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 PolarHBondContact O-N 2.98Å; E226-N230 PolarHBondContact O-ND2 3.35Å; E226-N230 VanDerWaalsContact O-ND2 3.15Å
227	E	96.8	Very high	97.9	Very high	43 Å²	43	41.8 Å²	41.8	20%	0.201	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-47.6	177.1	-175.6	170.8	-170.3	0	0	112.2	R172 M192 Y194 G223 I224 M225 V229 N230 C231 S531	R172-E227 IonicContact NH1-OE1 2.65Å; M192-E227 HydrophobicContact CE-CG 4.36Å; Y194-E227 HydrophobicContact CE1-CG 4.48Å; Y194-E227 WeakPolarHBondContact CE1-OE2 3.37Å; Y194-E227 VanDerWaalsContact CZ-OE2 3.26Å; Y194-E227 PolarHBondContact OH-OE2 3.44Å; G223-E227 WeakPolarHBondContact O-CB 3.28Å; G223-E227 PolarHBondContact O-N 3.09Å; I224-E227 PolarHBondContact O-N 3.35Å; M225-E227 VanDerWaalsContact C-N 3.34Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 2.84Å; E227-N230 PolarHBondContact O-N 3.03Å; E227-C231 WeakPolarHBondContact O-CB 3.27Å; E227-C231 PolarHBondContact O-N 2.81Å; E227-C231 PolarHBondContact O-SG 3.47Å; E227-S531 VanDerWaalsContact OE1-CB 3.26Å; E227-S531 WeakPolarHBondContact OE1-CB 3.23Å; E227-S531 PolarHBondContact OE1-OG 3.02Å
228	I	98.6	Very high	97.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-46.3	177.3	-70.2	167.8	0	0	0	110.9	M192 Y194 I224 M225 D232 I236 L238 F250 L254	M192-I228 HydrophobicContact CE-CG1 3.84Å; M192-I228 HydrophobicContact SD-CG1 4.15Å; Y194-I228 HydrophobicContact CD1-CG1 4.36Å; I224-I228 HydrophobicContact CG2-CD1 3.82Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.29Å; I224-I228 PolarHBondContact O-N 2.91Å; M225-I228 PolarHBondContact O-N 3.3Å; M225-I228 HydrophobicContact SD-CD1 4.39Å; I228-D232 PolarHBondContact O-N 3Å; I228-I236 HydrophobicContact CG2-CD1 3.77Å; I228-L238 HydrophobicContact CD1-CD1 4.07Å; I228-L238 HydrophobicContact CD1-CD2 4.12Å; I228-F250 HydrophobicContact CD1-CD1 4.17Å; I228-F250 HydrophobicContact CD1-CE1 3.78Å; I228-L254 HydrophobicContact CG2-CD2 3.94Å
229	V	98	Very high	98	Very high	41 Å²	41	36.2 Å²	36.2	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-178.9	168.6	0	0	0	0	111.5	M225 E226 E227 D232	M225-V229 HydrophobicContact CE-CG2 4.45Å; M225-V229 VanDerWaalsContact O-CB 3.28Å; M225-V229 WeakPolarHBondContact O-CB 3.28Å; M225-V229 WeakPolarHBondContact O-CG2 3.21Å; M225-V229 PolarHBondContact O-N 3.41Å; E226-V229 PolarHBondContact O-N 3.14Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 2.84Å; V229-D232 PolarHBondContact O-N 2.78Å
230	N	96.4	Very high	98	Very high	136 Å²	136	32.7 Å²	32.7	73%	0.727	17%	0.169	S	C	*	.	H	α-helix	trans	-70.6	-33.8	179.8	-71.4	-21.7	0	0	0	112.4	E226 E227 D232	E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 PolarHBondContact O-N 2.98Å; E226-N230 PolarHBondContact O-ND2 3.35Å; E226-N230 VanDerWaalsContact O-ND2 3.15Å; E227-N230 PolarHBondContact O-N 3.03Å; N230-D232 VanDerWaalsContact C-N 3.3Å
231	C	97.7	Very high	98.1	Very high	29 Å²	29	32.7 Å²	32.7	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-30.8	174.2	-70.4	0	0	0	0	112.5	M192 E227 A233 L533	M192-C231 HydrophobicContact SD-CB 4.29Å; E227-C231 WeakPolarHBondContact O-CB 3.27Å; E227-C231 PolarHBondContact O-N 2.81Å; E227-C231 PolarHBondContact O-SG 3.47Å; C231-A233 PolarHBondContact O-N 2.65Å; C231-A233 VanDerWaalsContact O-N 3.11Å; C231-L533 HydrophobicContact CB-CD2 4.03Å
232	D	98.1	Very high	98.1	Very high	74 Å²	74	31.4 Å²	31.4	40%	0.396	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	44.2	-179.6	-169.4	36.3	0	0	0	113.8	I228 V229 N230 Y259 K288	I228-D232 PolarHBondContact O-N 3Å; V229-D232 PolarHBondContact O-N 2.78Å; N230-D232 VanDerWaalsContact C-N 3.3Å; D232-Y259 PolarHBondContact OD1-OH 2.86Å; D232-Y259 VanDerWaalsContact OD1-OH 3.07Å; D232-K288 PolarHBondContact O-NZ 3.09Å; D232-K288 WeakPolarHBondContact OD1-CE 3.41Å; D232-K288 IonicContact OD1-NZ 2.87Å; D232-K288 PolarHBondContact OD1-NZ 3.08Å; D232-K288 IonicContact OD2-NZ 3.45Å; D232-K288 PolarHBondContact OD2-NZ 2.9Å
233	A	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.			trans	-70.8	138.4	-174.1	0	0	0	0	0	111.8	T190 M192 C231 I235 I236 Y259 L533	T190-A233 VanDerWaalsContact OG1-CA 3.28Å; T190-A233 WeakPolarHBondContact OG1-CA 3.43Å; M192-A233 HydrophobicContact CB-CB 3.58Å; C231-A233 PolarHBondContact O-N 2.65Å; C231-A233 VanDerWaalsContact O-N 3.11Å; A233-I235 PolarHBondContact O-N 2.81Å; A233-I236 HydrophobicContact CB-CG1 4.02Å; A233-Y259 WeakPolarHBondContact O-CE1 3.39Å; A233-Y259 PolarHBondContact O-OH 2.63Å; A233-L533 HydrophobicContact CB-CD1 3.51Å
234	D	98.9	Very high	98.2	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.037	14%	0.143	C	C	.	.	S	Bend	trans	-67.1	-28.1	-177.9	-60.3	-43.8	0	0	0	113.4	F189 T190 F287 K288 K291 F292	F189-D234 WeakPolarHBondContact CA-OD2 3.39Å; F189-D234 HydrophobicContact CB-CB 4.02Å; F189-D234 WeakPolarHBondContact CB-OD2 3.36Å; T190-D234 PolarHBondContact N-OD2 2.96Å; T190-D234 PolarHBondContact O-N 3.12Å; T190-D234 PolarHBondContact OG1-N 3.45Å; T190-D234 PolarHBondContact OG1-OD2 2.92Å; D234-F287 CarbonylContact O-C 3.58Å; D234-F287 VanDerWaalsContact O-CA 3.28Å; D234-F287 WeakPolarHBondContact O-CA 3.4Å; D234-K288 PolarHBondContact O-N 2.77Å; D234-K288 WeakPolarHBondContact OD1-CD 3.2Å; D234-K288 IonicContact OD1-NZ 3.7Å; D234-K288 PolarHBondContact OD1-NZ 3.44Å; D234-K291 HydrophobicContact CB-CD 4.05Å; D234-K291 WeakPolarHBondContact OD1-CD 3.38Å; D234-K291 WeakPolarHBondContact OD1-CE 3.36Å; D234-K291 IonicContact OD1-NZ 2.74Å; D234-K291 PolarHBondContact OD1-NZ 3.14Å; D234-K291 IonicContact OD2-NZ 3.46Å; D234-K291 PolarHBondContact OD2-NZ 3.05Å; D234-F292 HydrophobicContact CB-CE2 4.04Å
235	I	98.9	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.6	173.6	-60.8	169.5	0	0	0	107.9	F189 T190 V191 M192 A233 I285 F286 F287 F292 L332 L354 V356	F189-I235 HydrophobicContact CD2-CD1 3.85Å; F189-I235 HydrophobicContact CE2-CD1 3.81Å; T190-I235 PolarHBondContact O-N 3.46Å; V191-I235 CarbonylContact C-O 3.53Å; V191-I235 WeakPolarHBondContact CA-O 3.3Å; V191-I235 HydrophobicContact CG1-CG2 4.44Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; V191-I235 HydrophobicContact CG2-CD1 4.39Å; M192-I235 PolarHBondContact N-O 3.4Å; A233-I235 PolarHBondContact O-N 2.81Å; I235-I285 HydrophobicContact CG2-CG2 4.36Å; I235-F286 CarbonylContact C-O 3.57Å; I235-F286 WeakPolarHBondContact CA-O 3.18Å; I235-F287 HydrophobicContact CG1-CB 4.4Å; I235-F292 HydrophobicContact CD1-CE1 4.39Å; I235-F292 HydrophobicContact CD1-CE2 3.99Å; I235-F292 HydrophobicContact CD1-CZ 3.83Å; I235-F292 HydrophobicContact CG1-CD2 4.31Å; I235-F292 HydrophobicContact CG1-CE2 3.73Å; I235-F292 HydrophobicContact CG1-CZ 4.11Å; I235-L332 HydrophobicContact CD1-CD1 4.43Å; I235-L354 HydrophobicContact CD1-CD2 3.82Å; I235-V356 HydrophobicContact CD1-CG2 3.84Å; I235-V356 HydrophobicContact CG2-CG1 3.73Å; I235-V356 HydrophobicContact CG2-CG2 4.17Å
236	I	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.2	-180	-56.7	157.1	0	0	0	108.8	M192 I228 A233 L238 L254 Y259 I285 F286	M192-I236 HydrophobicContact CB-CG1 4.41Å; M192-I236 HydrophobicContact CB-CG2 4.43Å; M192-I236 HydrophobicContact SD-CG1 4.49Å; M192-I236 HydrophobicContact SD-CG2 4.06Å; I228-I236 HydrophobicContact CG2-CD1 3.77Å; A233-I236 HydrophobicContact CB-CG1 4.02Å; I236-L238 HydrophobicContact CG2-CD1 4.48Å; I236-L238 HydrophobicContact CG2-CD2 3.54Å; I236-L238 HydrophobicContact CG2-CG 3.86Å; I236-L254 HydrophobicContact CD1-CD1 4.32Å; I236-L254 HydrophobicContact CD1-CD2 4.13Å; I236-Y259 HydrophobicContact CD1-CD1 4.07Å; I236-Y259 HydrophobicContact CD1-CE1 3.5Å; I236-Y259 HydrophobicContact CG1-CE1 4.22Å; I236-I285 CarbonylContact O-C 3.49Å; I236-I285 VanDerWaalsContact O-CA 3.32Å; I236-I285 WeakPolarHBondContact O-CA 3.44Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 PolarHBondContact N-O 2.9Å; I236-F286 PolarHBondContact O-N 3.02Å
237	S	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116	175.1	-65.9	0	0	0	0	109.9	M192 C193 Y194 A284 C408	M192-S237 WeakPolarHBondContact O-CB 3.35Å; M192-S237 PolarHBondContact O-N 2.95Å; C193-S237 WeakPolarHBondContact CA-O 3.37Å; Y194-S237 PolarHBondContact N-O 3.26Å; S237-A284 WeakPolarHBondContact CA-O 3.35Å; S237-C408 VanDerWaalsContact CB-CB 3.42Å
238	L	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.9	-178.9	-54.2	-177.4	0	0	0	111.3	Y194 V196 I228 I236 V241 F250 C283 A284 F286 N358	Y194-L238 HydrophobicContact CD1-CD2 4.5Å; Y194-L238 VanDerWaalsContact O-CA 3.27Å; Y194-L238 WeakPolarHBondContact O-CA 3.48Å; V196-L238 HydrophobicContact CG1-CD1 4.4Å; V196-L238 HydrophobicContact CG1-CD2 4.08Å; I228-L238 HydrophobicContact CD1-CD1 4.07Å; I228-L238 HydrophobicContact CD1-CD2 4.12Å; I236-L238 HydrophobicContact CG2-CD1 4.48Å; I236-L238 HydrophobicContact CG2-CD2 3.54Å; I236-L238 HydrophobicContact CG2-CG 3.86Å; L238-V241 HydrophobicContact CB-CG2 3.41Å; L238-V241 VanDerWaalsContact CB-CG2 3.41Å; L238-V241 HydrophobicContact CD1-CG2 4.03Å; L238-V241 HydrophobicContact CG-CG2 4.38Å; L238-F250 HydrophobicContact CD1-CD1 3.84Å; L238-F250 HydrophobicContact CD1-CE1 3.87Å; L238-F250 HydrophobicContact CD1-CG 4.42Å; L238-F250 HydrophobicContact CD1-CZ 4.47Å; L238-C283 WeakPolarHBondContact O-CA 3.24Å; L238-A284 HydrophobicContact CB-CB 4.39Å; L238-A284 PolarHBondContact N-O 2.8Å; L238-A284 PolarHBondContact O-N 3.02Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 3.93Å; L238-N358 PolarHBondContact N-ND2 3.14Å; L238-N358 PolarHBondContact O-ND2 2.76Å
239	Q	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	156.8	169.6	-53.3	79.9	27.5	0	0	110	C193 Y194 N195 V196 V241 N358 H360 D410	C193-Q239 PolarHBondContact SG-NE2 2.67Å; C193-Q239 VanDerWaalsContact SG-NE2 3.35Å; Y194-Q239 PolarHBondContact O-N 3.21Å; Y194-Q239 VanDerWaalsContact O-N 3.08Å; Y194-Q239 PolarHBondContact O-OE1 2.66Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; V196-Q239 WeakPolarHBondContact CG2-O 3.34Å; V196-Q239 PolarHBondContact N-O 3.03Å; V196-Q239 VanDerWaalsContact N-O 3.08Å; Q239-V241 VanDerWaalsContact C-N 3.3Å; Q239-V241 PolarHBondContact O-N 2.84Å; Q239-N358 PolarHBondContact NE2-OD1 2.72Å; Q239-H360 HydrophobicContact CB-CB 4.19Å; Q239-H360 HydrophobicContact CG-CB 4.2Å; Q239-D410 HydrophobicContact CG-CB 4.32Å
240	E	98.4	Very high	98.4	Very high	17 Å²	17	29.7 Å²	29.7	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60	32.9	-178.4	-58.1	-166.8	-177.1	0	0	115.5	N195 L197 C198 Y201 E242 G282 H360	N195-E240 PolarHBondContact ND2-OE1 2.87Å; N195-E240 WeakPolarHBondContact OD1-CB 3.36Å; N195-E240 WeakPolarHBondContact OD1-CG 3.4Å; L197-E240 WeakPolarHBondContact CA-OE2 3.43Å; C198-E240 HydrophobicContact CB-CB 4.01Å; C198-E240 VanDerWaalsContact CB-O 3.31Å; C198-E240 WeakPolarHBondContact CB-O 3.12Å; C198-E240 PolarHBondContact N-OE2 2.56Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.38Å; Y201-E240 HydrophobicContact CE2-CG 4.28Å; Y201-E240 WeakPolarHBondContact CE2-OE2 2.93Å; E240-E242 PolarHBondContact O-N 2.87Å; E240-G282 PolarHBondContact N-O 3Å; E240-H360 IonicContact OE1-CE1 3.22Å; E240-H360 PolarHBondContact OE1-CE1 3.39Å; E240-H360 IonicContact OE1-ND1 3.75Å; E240-H360 IonicContact OE1-NE2 2.56Å
241	V	98.7	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120	175.4	-177.2	0	0	0	0	109.4	V196 L238 Q239 F250 F263 D281 G282 A284	V196-V241 HydrophobicContact CG2-CG2 4.08Å; L238-V241 HydrophobicContact CB-CG2 3.41Å; L238-V241 VanDerWaalsContact CB-CG2 3.41Å; L238-V241 HydrophobicContact CD1-CG2 4.03Å; L238-V241 HydrophobicContact CG-CG2 4.38Å; Q239-V241 VanDerWaalsContact C-N 3.3Å; Q239-V241 PolarHBondContact O-N 2.84Å; V241-F250 HydrophobicContact CG1-CD2 3.75Å; V241-F250 HydrophobicContact CG1-CE2 3.84Å; V241-F263 HydrophobicContact CB-CD2 4.39Å; V241-F263 HydrophobicContact CB-CE2 4.06Å; V241-F263 HydrophobicContact CG1-CE2 4.33Å; V241-F263 VanDerWaalsContact O-CE2 3.23Å; V241-F263 WeakPolarHBondContact O-CE2 3.04Å; V241-D281 CarbonylContact O-C 3.43Å; V241-D281 VanDerWaalsContact O-CA 3.22Å; V241-D281 WeakPolarHBondContact O-CA 3.3Å; V241-G282 PolarHBondContact N-O 3.11Å; V241-G282 PolarHBondContact O-N 2.77Å; V241-A284 HydrophobicContact CG2-CB 4.28Å
242	E	98.2	Very high	98.6	Very high	15 Å²	15	25.4 Å²	25.4	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138.4	172.3	179.4	170.4	136.3	0	0	111.5	E240 E244 Q245 Y246 K278 H279	E240-E242 PolarHBondContact O-N 2.87Å; E242-E244 PolarHBondContact O-N 3.14Å; E242-Q245 HydrophobicContact CB-CB 4.21Å; E242-Q245 HydrophobicContact CB-CG 3.9Å; E242-Q245 HydrophobicContact CG-CG 4.25Å; E242-Q245 PolarHBondContact O-N 3.3Å; E242-Y246 PolarHBondContact O-N 2.81Å; E242-K278 WeakPolarHBondContact CG-O 3.28Å; E242-H279 IonicContact OE1-CE1 2.69Å; E242-H279 IonicContact OE1-CG 3.85Å; E242-H279 IonicContact OE1-ND1 2.63Å; E242-H279 PolarHBondContact OE1-ND1 3.12Å; E242-H279 IonicContact OE2-ND1 3.15Å
243	T	98.4	Very high	98.6	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.08	13%	0.125	C	C	.	.	H	α-helix	trans	-53.5	-50.3	-175.9	-63.9	0	0	0	0	112.9	Q245 Y246 F247 F263 P265 R277 K278 V280	T243-Q245 VanDerWaalsContact C-N 3.29Å; T243-Q245 PolarHBondContact O-N 3.46Å; T243-Y246 PolarHBondContact O-N 2.99Å; T243-F247 HydrophobicContact CG2-CD2 4.12Å; T243-F247 HydrophobicContact CG2-CE2 3.94Å; T243-F247 WeakPolarHBondContact O-CD2 3.21Å; T243-F247 PolarHBondContact O-N 3.39Å; T243-F263 HydrophobicContact CG2-CE1 4.08Å; T243-P265 WeakPolarHBondContact OG1-CB 3.4Å; T243-R277 PolarHBondContact OG1-O 2.82Å; T243-K278 WeakPolarHBondContact CB-O 3.31Å; T243-K278 PolarHBondContact N-O 2.72Å; T243-V280 WeakPolarHBondContact CB-O 3.23Å; T243-V280 PolarHBondContact N-O 3.45Å; T243-V280 PolarHBondContact OG1-O 3.24Å
244	E	98	Very high	98.6	Very high	63 Å²	63	23.3 Å²	23.3	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-62.1	-39.2	179	-176.4	167.5	-113.7	0	0	111.6	E242 F247 T248 K278	E242-E244 PolarHBondContact O-N 3.14Å; E244-F247 PolarHBondContact O-N 2.87Å; E244-T248 HydrophobicContact CG-CG2 4.02Å; E244-T248 WeakPolarHBondContact O-CB 3.28Å; E244-T248 WeakPolarHBondContact O-CG2 3.42Å; E244-T248 PolarHBondContact O-N 2.92Å; E244-T248 PolarHBondContact O-OG1 2.93Å; E244-K278 HydrophobicContact CB-CB 4.04Å; E244-K278 HydrophobicContact CB-CG 4.42Å; E244-K278 PolarHBondContact N-O 2.91Å; E244-K278 IonicContact OE1-NZ 2.8Å
245	Q	98.3	Very high	98.6	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-70.5	-33.8	-178.7	-56.3	-54.2	-42.1	0	0	112.1	W217 E242 T243 F247 L249 F250	W217-Q245 HydrophobicContact CZ2-CB 3.87Å; W217-Q245 HydrophobicContact CZ2-CG 3.7Å; E242-Q245 HydrophobicContact CB-CB 4.21Å; E242-Q245 HydrophobicContact CB-CG 3.9Å; E242-Q245 HydrophobicContact CG-CG 4.25Å; E242-Q245 PolarHBondContact O-N 3.3Å; T243-Q245 VanDerWaalsContact C-N 3.29Å; T243-Q245 PolarHBondContact O-N 3.46Å; Q245-F247 VanDerWaalsContact C-N 3.33Å; Q245-F247 PolarHBondContact O-N 3.25Å; Q245-L249 WeakPolarHBondContact O-CA 3.4Å; Q245-L249 VanDerWaalsContact O-CB 3.3Å; Q245-L249 WeakPolarHBondContact O-CB 3.45Å; Q245-L249 PolarHBondContact O-N 3.11Å; Q245-F250 HydrophobicContact CB-CD2 4.34Å; Q245-F250 HydrophobicContact CB-CE2 4.17Å; Q245-F250 WeakPolarHBondContact O-CD2 3.3Å; Q245-F250 PolarHBondContact O-N 3.37Å
246	Y	98.7	Very high	98.6	Very high	8 Å²	8	36.7 Å²	36.7	3%	0.031	19%	0.186	C	C	.	.	I	π-helix	trans	-56	-49.7	170.3	175.6	-98.7	0	0	0	111.4	E242 T243 L251 G261 F262 F263 A284 F286	E242-Y246 PolarHBondContact O-N 2.81Å; T243-Y246 PolarHBondContact O-N 2.99Å; Y246-L251 HydrophobicContact CE1-CB 4.26Å; Y246-L251 HydrophobicContact CE1-CD2 3.91Å; Y246-L251 HydrophobicContact CE2-CB 4.4Å; Y246-L251 WeakPolarHBondContact O-CB 3.46Å; Y246-L251 PolarHBondContact O-N 3.22Å; Y246-G261 PolarHBondContact OH-O 3.15Å; Y246-G261 VanDerWaalsContact OH-O 3.09Å; Y246-F262 PolarHBondContact OH-N 3.25Å; Y246-F263 HydrophobicContact CD1-CB 3.64Å; Y246-F263 AromaticContact CD1-CD1 3.87Å; Y246-F263 HydrophobicContact CD1-CD1 3.87Å; Y246-F263 AromaticContact CD1-CG 3.89Å; Y246-F263 HydrophobicContact CD1-CG 3.89Å; Y246-F263 HydrophobicContact CD2-CB 3.43Å; Y246-F263 VanDerWaalsContact CD2-CB 3.43Å; Y246-F263 HydrophobicContact CD2-CD2 4.17Å; Y246-F263 AromaticContact CD2-CG 3.83Å; Y246-F263 HydrophobicContact CD2-CG 3.83Å; Y246-F263 HydrophobicContact CE1-CB 3.56Å; Y246-F263 HydrophobicContact CE1-CD1 4.46Å; Y246-F263 HydrophobicContact CE1-CG 4.31Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.24Å; Y246-F263 HydrophobicContact CG-CB 3.57Å; Y246-F263 AromaticContact CG-CD1 3.93Å; Y246-F263 HydrophobicContact CG-CD1 3.93Å; Y246-F263 HydrophobicContact CG-CD2 4.18Å; Y246-F263 AromaticContact CG-CG 3.63Å; Y246-F263 HydrophobicContact CG-CG 3.63Å; Y246-A284 HydrophobicContact CD2-CB 4.09Å; Y246-A284 HydrophobicContact CE2-CB 4.13Å; Y246-F286 HydrophobicContact CD2-CE1 4.39Å; Y246-F286 HydrophobicContact CD2-CE2 4.45Å; Y246-F286 AromaticContact CD2-CZ 3.67Å; Y246-F286 HydrophobicContact CD2-CZ 3.67Å; Y246-F286 AromaticContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE2 4.18Å; Y246-F286 AromaticContact CE2-CZ 3.32Å; Y246-F286 HydrophobicContact CE2-CZ 3.32Å
247	F	98.5	Very high	98.5	Very high	119 Å²	119	43.6 Å²	43.6	52%	0.522	21%	0.212	S	C	.	.	I	π-helix	trans	-79.4	-28.9	-174.4	-70.1	-66.9	0	0	0	114.2	T243 E244 Q245 L251 P252	T243-F247 HydrophobicContact CG2-CD2 4.12Å; T243-F247 HydrophobicContact CG2-CE2 3.94Å; T243-F247 WeakPolarHBondContact O-CD2 3.21Å; T243-F247 PolarHBondContact O-N 3.39Å; E244-F247 PolarHBondContact O-N 2.87Å; Q245-F247 VanDerWaalsContact C-N 3.33Å; Q245-F247 PolarHBondContact O-N 3.25Å; F247-L251 HydrophobicContact CD1-CD2 4.47Å; F247-P252 WeakPolarHBondContact O-CD 3.33Å; F247-P252 WeakPolarHBondContact O-CG 3.41Å
248	T	98.2	Very high	98.5	Very high	86 Å²	86	45 Å²	45	53%	0.528	23%	0.226	S	C	.	.	I	π-helix	trans	-101.4	-24	-173.9	60	0	0	0	0	114	E244	E244-T248 HydrophobicContact CG-CG2 4.02Å; E244-T248 WeakPolarHBondContact O-CB 3.28Å; E244-T248 WeakPolarHBondContact O-CG2 3.42Å; E244-T248 PolarHBondContact O-N 2.92Å; E244-T248 PolarHBondContact O-OG1 2.93Å
249	L	98.5	Very high	98.5	Very high	35 Å²	35	45.3 Å²	45.3	18%	0.183	23%	0.227	C	C	.	.	I	π-helix	trans	-117.2	-68.5	-177.7	177	71.1	0	0	0	111.8	W217 K221 M225 Q245 A253	W217-L249 HydrophobicContact CZ2-CD2 3.88Å; K221-L249 HydrophobicContact CB-CD2 3.83Å; K221-L249 HydrophobicContact CD-CD2 4.25Å; K221-L249 HydrophobicContact CG-CD2 4.4Å; M225-L249 HydrophobicContact CG-CD1 4.11Å; M225-L249 HydrophobicContact CG-CD2 4.1Å; M225-L249 HydrophobicContact CG-CG 4.16Å; M225-L249 HydrophobicContact SD-CD2 4.45Å; M225-L249 HydrophobicContact SD-CG 4.26Å; Q245-L249 WeakPolarHBondContact O-CA 3.4Å; Q245-L249 VanDerWaalsContact O-CB 3.3Å; Q245-L249 WeakPolarHBondContact O-CB 3.45Å; Q245-L249 PolarHBondContact O-N 3.11Å; L249-A253 WeakPolarHBondContact O-CB 3.23Å; L249-A253 PolarHBondContact O-N 2.68Å; L249-A253 VanDerWaalsContact O-N 3.14Å
250	F	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-66.1	-52.4	-167	-68.1	-77.8	0	0	0	112.3	V196 W217 I224 M225 I228 L238 V241 Q245 L254 F286	V196-F250 HydrophobicContact CG1-CZ 4.48Å; V196-F250 HydrophobicContact CG2-CZ 4.42Å; W217-F250 HydrophobicContact CH2-CE2 4.09Å; W217-F250 HydrophobicContact CH2-CZ 4.01Å; W217-F250 HydrophobicContact CZ2-CE2 4.21Å; W217-F250 HydrophobicContact CZ2-CZ 4.44Å; I224-F250 HydrophobicContact CG2-CE1 3.95Å; I224-F250 HydrophobicContact CG2-CZ 4.15Å; M225-F250 HydrophobicContact SD-CD1 3.49Å; M225-F250 WeakPolarHBondContact SD-CD1 3.36Å; M225-F250 HydrophobicContact SD-CE1 3.69Å; M225-F250 HydrophobicContact SD-CG 4.41Å; I228-F250 HydrophobicContact CD1-CD1 4.17Å; I228-F250 HydrophobicContact CD1-CE1 3.78Å; L238-F250 HydrophobicContact CD1-CD1 3.84Å; L238-F250 HydrophobicContact CD1-CE1 3.87Å; L238-F250 HydrophobicContact CD1-CG 4.42Å; L238-F250 HydrophobicContact CD1-CZ 4.47Å; V241-F250 HydrophobicContact CG1-CD2 3.75Å; V241-F250 HydrophobicContact CG1-CE2 3.84Å; Q245-F250 HydrophobicContact CB-CD2 4.34Å; Q245-F250 HydrophobicContact CB-CE2 4.17Å; Q245-F250 WeakPolarHBondContact O-CD2 3.3Å; Q245-F250 PolarHBondContact O-N 3.37Å; F250-L254 VanDerWaalsContact O-CB 3.26Å; F250-L254 WeakPolarHBondContact O-CB 3.49Å; F250-L254 VanDerWaalsContact O-CG 3.3Å; F250-L254 WeakPolarHBondContact O-CG 3.19Å; F250-L254 PolarHBondContact O-N 2.86Å; F250-F286 HydrophobicContact CB-CE2 4.3Å; F250-F286 HydrophobicContact CB-CZ 3.71Å
251	L	98.8	Very high	98.5	Very high	22 Å²	22	47.8 Å²	47.8	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-47.9	-176.6	-178	68.5	0	0	0	112.8	Y246 F247 K255 F286	Y246-L251 HydrophobicContact CE1-CB 4.26Å; Y246-L251 HydrophobicContact CE1-CD2 3.91Å; Y246-L251 HydrophobicContact CE2-CB 4.4Å; Y246-L251 WeakPolarHBondContact O-CB 3.46Å; Y246-L251 PolarHBondContact O-N 3.22Å; F247-L251 HydrophobicContact CD1-CD2 4.47Å; L251-K255 HydrophobicContact CD1-CD 4.25Å; L251-K255 HydrophobicContact CD1-CG 4.19Å; L251-K255 HydrophobicContact CG-CD 4.17Å; L251-K255 HydrophobicContact CG-CG 4.46Å; L251-K255 VanDerWaalsContact O-CB 3.28Å; L251-K255 WeakPolarHBondContact O-CB 3.37Å; L251-K255 VanDerWaalsContact O-CG 3.27Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 3.35Å; L251-F286 HydrophobicContact CB-CE1 4.28Å; L251-F286 HydrophobicContact CD1-CE1 3.97Å
252	P	98.6	Very high	98.5	Very high	53 Å²	53	48.9 Å²	48.9	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-48.3	176.6	-24.6	35.9	0	0	0	112.7	F247 L254 K255 E256	F247-P252 WeakPolarHBondContact O-CD 3.33Å; F247-P252 WeakPolarHBondContact O-CG 3.41Å; P252-L254 PolarHBondContact O-N 3.28Å; P252-K255 PolarHBondContact O-N 2.91Å; P252-E256 PolarHBondContact O-N 3.1Å
253	A	98.5	Very high	98.5	Very high	29 Å²	29	49.1 Å²	49.1	24%	0.24	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-39.1	-177.4	0	0	0	0	0	112.7	M225 L249	M225-A253 HydrophobicContact CE-CB 3.68Å; L249-A253 WeakPolarHBondContact O-CB 3.23Å; L249-A253 PolarHBondContact O-N 2.68Å; L249-A253 VanDerWaalsContact O-N 3.14Å
254	L	98.7	Very high	98.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-76.2	-30.4	177.4	-68.6	173.8	0	0	0	112.1	I228 I236 F250 P252 E256 R257 G258 Y259 F286	I228-L254 HydrophobicContact CG2-CD2 3.94Å; I236-L254 HydrophobicContact CD1-CD1 4.32Å; I236-L254 HydrophobicContact CD1-CD2 4.13Å; F250-L254 VanDerWaalsContact O-CB 3.26Å; F250-L254 WeakPolarHBondContact O-CB 3.49Å; F250-L254 VanDerWaalsContact O-CG 3.3Å; F250-L254 WeakPolarHBondContact O-CG 3.19Å; F250-L254 PolarHBondContact O-N 2.86Å; P252-L254 PolarHBondContact O-N 3.28Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 PolarHBondContact O-N 2.84Å; L254-R257 CarbonylContact O-C 3.55Å; L254-R257 WeakPolarHBondContact O-CA 3.38Å; L254-R257 PolarHBondContact O-N 2.82Å; L254-G258 PolarHBondContact O-N 2.82Å; L254-Y259 HydrophobicContact CB-CD2 4.21Å; L254-Y259 HydrophobicContact CB-CG 4.15Å; L254-Y259 HydrophobicContact CD2-CD2 4.16Å; L254-Y259 HydrophobicContact CD2-CE2 4.31Å; L254-Y259 HydrophobicContact CD2-CG 4.48Å; L254-Y259 WeakPolarHBondContact O-CB 3.43Å; L254-Y259 WeakPolarHBondContact O-CD2 3.19Å; L254-Y259 PolarHBondContact O-N 3.09Å; L254-F286 HydrophobicContact CB-CD1 4.27Å; L254-F286 HydrophobicContact CD1-CB 4.18Å; L254-F286 HydrophobicContact CD1-CD1 3.6Å; L254-F286 HydrophobicContact CD1-CD2 3.69Å; L254-F286 HydrophobicContact CD1-CE1 3.79Å; L254-F286 HydrophobicContact CD1-CE2 3.87Å; L254-F286 HydrophobicContact CD1-CG 3.54Å; L254-F286 HydrophobicContact CD1-CZ 3.9Å
255	K	98.6	Very high	98.6	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-40	171.6	-86	-177.4	173.7	-176.3	0	112.7	L251 P252 R257 G258 Y259	L251-K255 HydrophobicContact CD1-CD 4.25Å; L251-K255 HydrophobicContact CD1-CG 4.19Å; L251-K255 HydrophobicContact CG-CD 4.17Å; L251-K255 HydrophobicContact CG-CG 4.46Å; L251-K255 VanDerWaalsContact O-CB 3.28Å; L251-K255 WeakPolarHBondContact O-CB 3.37Å; L251-K255 VanDerWaalsContact O-CG 3.27Å; L251-K255 WeakPolarHBondContact O-CG 3.37Å; L251-K255 PolarHBondContact O-N 3.35Å; P252-K255 PolarHBondContact O-N 2.91Å; K255-R257 PolarHBondContact O-N 2.9Å; K255-R257 VanDerWaalsContact O-N 3.13Å; K255-G258 PolarHBondContact O-N 3.43Å; K255-Y259 WeakPolarHBondContact CA-O 3.48Å; K255-Y259 WeakPolarHBondContact CG-O 3.47Å
256	E	98.2	Very high	98.5	Very high	173 Å²	173	47.6 Å²	47.6	81%	0.808	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.2	173.7	-69	178	-177.2	0	0	112.8	P252 L254	P252-E256 PolarHBondContact O-N 3.1Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 PolarHBondContact O-N 2.84Å
257	R	98.3	Very high	98.4	Very high	145 Å²	145	47.8 Å²	47.8	55%	0.547	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.2	177.1	-59.1	-164.2	167.3	-69	0.6	113.9	L254 K255 Y259	L254-R257 CarbonylContact O-C 3.55Å; L254-R257 WeakPolarHBondContact O-CA 3.38Å; L254-R257 PolarHBondContact O-N 2.82Å; K255-R257 PolarHBondContact O-N 2.9Å; K255-R257 VanDerWaalsContact O-N 3.13Å; R257-Y259 HydrophobicContact CB-CD2 3.83Å; R257-Y259 HydrophobicContact CB-CE2 3.86Å; R257-Y259 WeakPolarHBondContact O-CD2 3.17Å
258	G	98.6	Very high	98.2	Very high	29 Å²	29	46.7 Å²	46.7	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	18.7	175.7	0	0	0	0	0	114.8	L254 K255 T289	L254-G258 PolarHBondContact O-N 2.82Å; K255-G258 PolarHBondContact O-N 3.43Å; G258-T289 WeakPolarHBondContact O-CB 3.14Å; G258-T289 PolarHBondContact O-N 3.39Å; G258-T289 PolarHBondContact O-OG1 2.94Å
259	Y	98.8	Very high	98	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.8	173.8	-64.3	-103.9	0	0	0	111.7	D232 A233 I236 L254 K255 R257 F286 F287 K288	D232-Y259 PolarHBondContact OD1-OH 2.86Å; D232-Y259 VanDerWaalsContact OD1-OH 3.07Å; A233-Y259 WeakPolarHBondContact O-CE1 3.39Å; A233-Y259 PolarHBondContact O-OH 2.63Å; I236-Y259 HydrophobicContact CD1-CD1 4.07Å; I236-Y259 HydrophobicContact CD1-CE1 3.5Å; I236-Y259 HydrophobicContact CG1-CE1 4.22Å; L254-Y259 HydrophobicContact CB-CD2 4.21Å; L254-Y259 HydrophobicContact CB-CG 4.15Å; L254-Y259 HydrophobicContact CD2-CD2 4.16Å; L254-Y259 HydrophobicContact CD2-CE2 4.31Å; L254-Y259 HydrophobicContact CD2-CG 4.48Å; L254-Y259 WeakPolarHBondContact O-CB 3.43Å; L254-Y259 WeakPolarHBondContact O-CD2 3.19Å; L254-Y259 PolarHBondContact O-N 3.09Å; K255-Y259 WeakPolarHBondContact CA-O 3.48Å; K255-Y259 WeakPolarHBondContact CG-O 3.47Å; R257-Y259 HydrophobicContact CB-CD2 3.83Å; R257-Y259 HydrophobicContact CB-CE2 3.86Å; R257-Y259 WeakPolarHBondContact O-CD2 3.17Å; Y259-F286 HydrophobicContact CD1-CB 4.03Å; Y259-F287 VanDerWaalsContact CA-O 3.3Å; Y259-F287 WeakPolarHBondContact CA-O 3.38Å; Y259-K288 HydrophobicContact CD1-CG 4.04Å; Y259-K288 HydrophobicContact CD2-CG 4.45Å; Y259-K288 HydrophobicContact CE1-CG 3.57Å; Y259-K288 HydrophobicContact CE2-CG 4.03Å; Y259-K288 HydrophobicContact CG-CG 4.47Å; Y259-K288 WeakPolarHBondContact OH-CE 3.22Å
260	D	98.7	Very high	97.8	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	165.6	156.2	-166.4	20.6	0	0	0	109	F286 F287 T289	D260-F286 VanDerWaalsContact O-CA 3.23Å; D260-F286 WeakPolarHBondContact O-CA 3.02Å; D260-F287 HydrophobicContact CB-CE2 3.92Å; D260-F287 HydrophobicContact CB-CZ 3.84Å; D260-F287 PolarHBondContact N-O 2.87Å; D260-F287 VanDerWaalsContact N-O 3.07Å; D260-F287 PolarHBondContact O-N 3Å; D260-T289 HydrophobicContact CB-CG2 3.71Å
261	G	98.6	Very high	97.6	Very high	13 Å²	13	55 Å²	55	13%	0.134	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.1	-171.4	0	0	0	0	0	114.5	Y246 I285	Y246-G261 PolarHBondContact OH-O 3.15Å; Y246-G261 VanDerWaalsContact OH-O 3.09Å; G261-I285 CarbonylContact C-O 3.52Å; G261-I285 VanDerWaalsContact CA-O 3.29Å; G261-I285 WeakPolarHBondContact CA-O 3.17Å
262	F	98.8	Very high	97.3	Very high	23 Å²	23	56.9 Å²	56.9	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.7	167	176.4	-125.4	0	0	0	110	Y246 A284 I285 K297 H298 V328 V330	Y246-F262 PolarHBondContact OH-N 3.25Å; F262-A284 CarbonylContact O-C 3.41Å; F262-A284 VanDerWaalsContact O-CA 3.22Å; F262-A284 WeakPolarHBondContact O-CA 3.18Å; F262-I285 PolarHBondContact N-O 2.96Å; F262-I285 PolarHBondContact O-N 3.31Å; F262-K297 HydrophobicContact CD1-CB 3.86Å; F262-K297 HydrophobicContact CD2-CB 3.94Å; F262-K297 HydrophobicContact CD2-CD 3.6Å; F262-K297 HydrophobicContact CD2-CG 4.13Å; F262-K297 HydrophobicContact CE1-CB 3.96Å; F262-K297 HydrophobicContact CE2-CB 4.05Å; F262-K297 HydrophobicContact CE2-CD 3.79Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.83Å; F262-K297 HydrophobicContact CG-CD 4.23Å; F262-K297 HydrophobicContact CZ-CB 4.05Å; F262-K297 HydrophobicContact CZ-CG 4.3Å; F262-H298 WeakPolarHBondContact CE1-O 3.13Å; F262-V328 HydrophobicContact CD1-CB 4.03Å; F262-V328 HydrophobicContact CD1-CG1 4.35Å; F262-V328 HydrophobicContact CE1-CB 3.75Å; F262-V328 HydrophobicContact CE1-CG1 3.8Å; F262-V328 HydrophobicContact CZ-CG1 4.48Å; F262-V330 HydrophobicContact CB-CG1 3.84Å; F262-V330 HydrophobicContact CD1-CG1 3.81Å; F262-V330 HydrophobicContact CG-CG1 4.18Å
263	F	98.8	Very high	97.1	Very high	20 Å²	20	57.2 Å²	57.2	9%	0.088	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.5	177.1	166.5	-102	0	0	0	110.3	V241 T243 Y246 P265 C283 A284	V241-F263 HydrophobicContact CB-CD2 4.39Å; V241-F263 HydrophobicContact CB-CE2 4.06Å; V241-F263 HydrophobicContact CG1-CE2 4.33Å; V241-F263 VanDerWaalsContact O-CE2 3.23Å; V241-F263 WeakPolarHBondContact O-CE2 3.04Å; T243-F263 HydrophobicContact CG2-CE1 4.08Å; Y246-F263 HydrophobicContact CD1-CB 3.64Å; Y246-F263 AromaticContact CD1-CD1 3.87Å; Y246-F263 HydrophobicContact CD1-CD1 3.87Å; Y246-F263 AromaticContact CD1-CG 3.89Å; Y246-F263 HydrophobicContact CD1-CG 3.89Å; Y246-F263 HydrophobicContact CD2-CB 3.43Å; Y246-F263 VanDerWaalsContact CD2-CB 3.43Å; Y246-F263 HydrophobicContact CD2-CD2 4.17Å; Y246-F263 AromaticContact CD2-CG 3.83Å; Y246-F263 HydrophobicContact CD2-CG 3.83Å; Y246-F263 HydrophobicContact CE1-CB 3.56Å; Y246-F263 HydrophobicContact CE1-CD1 4.46Å; Y246-F263 HydrophobicContact CE1-CG 4.31Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.24Å; Y246-F263 HydrophobicContact CG-CB 3.57Å; Y246-F263 AromaticContact CG-CD1 3.93Å; Y246-F263 HydrophobicContact CG-CD1 3.93Å; Y246-F263 HydrophobicContact CG-CD2 4.18Å; Y246-F263 AromaticContact CG-CG 3.63Å; Y246-F263 HydrophobicContact CG-CG 3.63Å; F263-P265 HydrophobicContact CE1-CB 4.02Å; F263-P265 HydrophobicContact CE1-CG 4.25Å; F263-P265 HydrophobicContact CZ-CB 3.95Å; F263-C283 WeakPolarHBondContact CA-O 3.49Å; F263-C283 WeakPolarHBondContact CD2-O 3.43Å; F263-A284 HydrophobicContact CB-CB 4.24Å; F263-A284 HydrophobicContact CD2-CB 4.09Å
264	S	98.6	Very high	96.8	Very high	16 Å²	16	62.3 Å²	62.3	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.3	168.3	-159	0	0	0	0	109.6	G282 C283 T299 I326	S264-G282 VanDerWaalsContact O-CA 3.28Å; S264-G282 WeakPolarHBondContact O-CA 3.24Å; S264-C283 PolarHBondContact N-O 3.11Å; S264-C283 VanDerWaalsContact N-O 3.11Å; S264-C283 PolarHBondContact O-N 2.8Å; S264-C283 VanDerWaalsContact O-N 3.14Å; S264-T299 WeakPolarHBondContact CB-OG1 3.5Å; S264-T299 WeakPolarHBondContact OG-CG2 3.44Å; S264-T299 PolarHBondContact OG-OG1 3.37Å; S264-I326 WeakPolarHBondContact O-CD1 3.42Å
265	P	98.3	Very high	96.6	Very high	33 Å²	33	67.8 Å²	67.8	21%	0.214	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	159.1	171.5	32.3	-34.1	0	0	0	111.1	T243 F263 A269 V280	T243-P265 WeakPolarHBondContact OG1-CB 3.4Å; F263-P265 HydrophobicContact CE1-CB 4.02Å; F263-P265 HydrophobicContact CE1-CG 4.25Å; F263-P265 HydrophobicContact CZ-CB 3.95Å; P265-A269 HydrophobicContact CB-CB 3.81Å; P265-A269 HydrophobicContact CG-CB 3.71Å; P265-V280 HydrophobicContact CB-CB 4.43Å; P265-V280 HydrophobicContact CB-CG1 4.04Å
266	K	97.9	Very high	96.4	Very high	16 Å²	16	67 Å²	67	7%	0.07	33%	0.331	C	S	.	.			trans	-52.5	148.7	169.3	-76.9	172.9	170.4	159.6	0	111.9	Y201 R268 A269 V280 D281 D324 I326	Y201-K266 PolarHBondContact OH-NZ 2.82Å; K266-R268 PolarHBondContact O-N 2.86Å; K266-R268 VanDerWaalsContact O-N 3.09Å; K266-A269 WeakPolarHBondContact O-CB 3.44Å; K266-A269 PolarHBondContact O-N 3.04Å; K266-V280 HydrophobicContact CB-CG1 3.94Å; K266-D281 WeakPolarHBondContact CB-O 3.33Å; K266-D281 WeakPolarHBondContact CG-O 3.32Å; K266-D281 PolarHBondContact N-O 2.94Å; K266-D281 IonicContact NZ-OD1 3.79Å; K266-D281 IonicContact NZ-OD2 2.89Å; K266-D281 PolarHBondContact NZ-OD2 2.81Å; K266-D324 WeakPolarHBondContact CB-OD2 3.44Å; K266-D324 WeakPolarHBondContact CD-O 3.26Å; K266-D324 VanDerWaalsContact CE-O 3.32Å; K266-D324 WeakPolarHBondContact CE-O 3.39Å; K266-D324 WeakPolarHBondContact CG-O 3.48Å; K266-I326 HydrophobicContact CG-CG1 4.29Å
267	S	95.6	Very high	96.3	Very high	12 Å²	12	64 Å²	64	8%	0.084	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-60.2	-28.3	-166.6	-57	0	0	0	0	113.8	A269 K270 E301 D324	S267-A269 PolarHBondContact O-N 2.8Å; S267-A269 VanDerWaalsContact O-N 3.08Å; S267-K270 WeakPolarHBondContact O-CB 3.22Å; S267-K270 WeakPolarHBondContact O-CG 3.29Å; S267-K270 PolarHBondContact O-N 3.07Å; S267-E301 WeakPolarHBondContact CB-OE2 3.39Å; S267-E301 WeakPolarHBondContact OG-CB 3.21Å; S267-E301 VanDerWaalsContact OG-CG 3.23Å; S267-E301 WeakPolarHBondContact OG-CG 3.4Å; S267-E301 PolarHBondContact OG-OE2 2.99Å; S267-D324 WeakPolarHBondContact CA-OD1 3.3Å; S267-D324 WeakPolarHBondContact CB-OD1 3.48Å; S267-D324 PolarHBondContact N-OD1 3.23Å
268	R	94.6	Very high	96.1	Very high	95 Å²	95	60.3 Å²	60.3	36%	0.358	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55	-25.6	174.3	68.8	-167.4	-173.8	163.3	16.2	113.8	K266 K270 I271 M272 V280 D281 D324	K266-R268 PolarHBondContact O-N 2.86Å; K266-R268 VanDerWaalsContact O-N 3.09Å; R268-K270 PolarHBondContact O-N 3.34Å; R268-I271 WeakPolarHBondContact O-CG1 3.48Å; R268-I271 PolarHBondContact O-N 2.75Å; R268-M272 HydrophobicContact CB-SD 4.36Å; R268-M272 HydrophobicContact CG-SD 3.98Å; R268-M272 VanDerWaalsContact O-CG 3.28Å; R268-M272 WeakPolarHBondContact O-CG 3.14Å; R268-M272 PolarHBondContact O-N 2.63Å; R268-V280 HydrophobicContact CG-CG1 4.02Å; R268-V280 HydrophobicContact CG-CG2 4.25Å; R268-D281 IonicContact NH2-OD1 2.86Å; R268-D324 WeakPolarHBondContact CB-OD2 3.32Å; R268-D324 WeakPolarHBondContact CD-OD2 3.5Å; R268-D324 WeakPolarHBondContact CG-OD2 3.39Å; R268-D324 PolarHBondContact N-OD2 2.86Å
269	A	94.5	Very high	96	Very high	6 Å²	6	63 Å²	63	5%	0.05	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-52.7	-26.5	174.4	0	0	0	0	0	113.7	P265 K266 S267 R277 V280	P265-A269 HydrophobicContact CB-CB 3.81Å; P265-A269 HydrophobicContact CG-CB 3.71Å; K266-A269 WeakPolarHBondContact O-CB 3.44Å; K266-A269 PolarHBondContact O-N 3.04Å; S267-A269 PolarHBondContact O-N 2.8Å; S267-A269 VanDerWaalsContact O-N 3.08Å; A269-R277 HydrophobicContact CB-CG 3.94Å; A269-V280 HydrophobicContact CB-CB 4.11Å; A269-V280 HydrophobicContact CB-CG1 3.96Å; A269-V280 HydrophobicContact CB-CG2 4.23Å
270	K	93.9	Very high	96	Very high	135 Å²	135	62.7 Å²	62.7	59%	0.587	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-74.4	-23.5	-179.1	-63.7	175.7	-178.4	172.6	0	114.1	S267 R268 E301	S267-K270 WeakPolarHBondContact O-CB 3.22Å; S267-K270 WeakPolarHBondContact O-CG 3.29Å; S267-K270 PolarHBondContact O-N 3.07Å; R268-K270 PolarHBondContact O-N 3.34Å; K270-E301 WeakPolarHBondContact CE-OE1 3.32Å; K270-E301 IonicContact NZ-OE1 3.89Å; K270-E301 PolarHBondContact NZ-OE1 3.09Å; K270-E301 IonicContact NZ-OE2 2.85Å; K270-E301 PolarHBondContact NZ-OE2 2.8Å
271	I	93.2	Very high	96	Very high	154 Å²	154	60 Å²	60	79%	0.79	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.5	-176.4	60.8	166.4	0	0	0	112.9	R268	R268-I271 WeakPolarHBondContact O-CG1 3.48Å; R268-I271 PolarHBondContact O-N 2.75Å
272	M	93.7	Very high	96	Very high	63 Å²	63	59.5 Å²	59.5	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-94.2	158.3	-178.9	-67.7	175.6	84.6	0	0	111.1	R268 E276 V280	R268-M272 HydrophobicContact CB-SD 4.36Å; R268-M272 HydrophobicContact CG-SD 3.98Å; R268-M272 VanDerWaalsContact O-CG 3.28Å; R268-M272 WeakPolarHBondContact O-CG 3.14Å; R268-M272 PolarHBondContact O-N 2.63Å; M272-E276 HydrophobicContact CB-CB 4.2Å; M272-E276 HydrophobicContact CE-CB 3.53Å; M272-E276 HydrophobicContact CE-CG 4.45Å; M272-V280 HydrophobicContact CE-CG2 4.18Å; M272-V280 HydrophobicContact SD-CG2 3.43Å; M272-V280 WeakPolarHBondContact SD-CG2 3.49Å
273	S	94.8	Very high	96	Very high	59 Å²	59	58.5 Å²	58.5	41%	0.413	28%	0.279	S	S	.	.			trans	-63.4	160.1	170.8	68.2	0	0	0	0	111	Q275 E276 R277	S273-Q275 PolarHBondContact O-N 3.42Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.85Å; S273-E276 VanDerWaalsContact N-OE2 3.1Å; S273-E276 PolarHBondContact O-N 2.86Å; S273-E276 VanDerWaalsContact OG-CD 3.26Å; S273-E276 VanDerWaalsContact OG-CG 3.27Å; S273-E276 WeakPolarHBondContact OG-CG 3.37Å; S273-E276 PolarHBondContact OG-N 3.12Å; S273-E276 PolarHBondContact OG-OE2 2.94Å; S273-R277 VanDerWaalsContact O-CB 3.26Å; S273-R277 WeakPolarHBondContact O-CB 3.28Å; S273-R277 PolarHBondContact O-N 3.01Å
274	E	92.1	Very high	96	Very high	137 Å²	137	57.5 Å²	57.5	64%	0.64	28%	0.275	S	S	*	.	H	α-helix	trans	-58	-36	179.3	-179.5	167.5	-153.9	0	0	112.8	R277	E274-R277 IonicContact OE1-NH2 3.82Å
275	Q	93.7	Very high	96	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-70.4	-40	179.6	-174.7	59.2	21.2	0	0	112.1	S273	S273-Q275 PolarHBondContact O-N 3.42Å
276	E	94.9	Very high	96	Very high	100 Å²	100	55.2 Å²	55.2	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-76.7	-33	178.4	-61.5	163.2	128.2	0	0	112	M272 S273 K278 H279	M272-E276 HydrophobicContact CB-CB 4.2Å; M272-E276 HydrophobicContact CE-CB 3.53Å; M272-E276 HydrophobicContact CE-CG 4.45Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 2.85Å; S273-E276 VanDerWaalsContact N-OE2 3.1Å; S273-E276 PolarHBondContact O-N 2.86Å; S273-E276 VanDerWaalsContact OG-CD 3.26Å; S273-E276 VanDerWaalsContact OG-CG 3.27Å; S273-E276 WeakPolarHBondContact OG-CG 3.37Å; S273-E276 PolarHBondContact OG-N 3.12Å; S273-E276 PolarHBondContact OG-OE2 2.94Å; E276-K278 PolarHBondContact O-N 2.73Å; E276-H279 PolarHBondContact O-N 2.84Å
277	R	95	Very high	96.1	Very high	110 Å²	110	54.5 Å²	54.5	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-56.1	-33.6	177.7	-177.5	-179.2	66.9	167.6	-2.3	112.4	T243 A269 S273 E274 H279 V280	T243-R277 PolarHBondContact OG1-O 2.82Å; A269-R277 HydrophobicContact CB-CG 3.94Å; S273-R277 VanDerWaalsContact O-CB 3.26Å; S273-R277 WeakPolarHBondContact O-CB 3.28Å; S273-R277 PolarHBondContact O-N 3.01Å; E274-R277 IonicContact OE1-NH2 3.82Å; R277-H279 PolarHBondContact O-N 3.07Å; R277-V280 WeakPolarHBondContact O-CB 3.35Å; R277-V280 PolarHBondContact O-N 3.24Å; R277-V280 VanDerWaalsContact O-N 3.09Å
278	K	96.1	Very high	96.2	Very high	66 Å²	66	54.7 Å²	54.7	29%	0.287	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.1	176.7	-74.7	173.1	178.9	-176.1	0	113	E242 T243 E244 E276	E242-K278 WeakPolarHBondContact CG-O 3.28Å; T243-K278 WeakPolarHBondContact CB-O 3.31Å; T243-K278 PolarHBondContact N-O 2.72Å; E244-K278 HydrophobicContact CB-CB 4.04Å; E244-K278 HydrophobicContact CB-CG 4.42Å; E244-K278 PolarHBondContact N-O 2.91Å; E244-K278 IonicContact OE1-NZ 2.8Å; E276-K278 PolarHBondContact O-N 2.73Å
279	H	96.4	Very high	96.4	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.398	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	8.6	-178.1	-56.4	-56	0	0	0	113.9	E242 E276 R277	E242-H279 IonicContact OE1-CE1 2.69Å; E242-H279 IonicContact OE1-CG 3.85Å; E242-H279 IonicContact OE1-ND1 2.63Å; E242-H279 PolarHBondContact OE1-ND1 3.12Å; E242-H279 IonicContact OE2-ND1 3.15Å; E276-H279 PolarHBondContact O-N 2.84Å; R277-H279 PolarHBondContact O-N 3.07Å
280	V	97.8	Very high	96.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.285	C	S	.	.			trans	-83.9	126.2	173.8	-178.4	0	0	0	0	109.3	T243 P265 K266 R268 A269 M272 R277	T243-V280 WeakPolarHBondContact CB-O 3.23Å; T243-V280 PolarHBondContact N-O 3.45Å; T243-V280 PolarHBondContact OG1-O 3.24Å; P265-V280 HydrophobicContact CB-CB 4.43Å; P265-V280 HydrophobicContact CB-CG1 4.04Å; K266-V280 HydrophobicContact CB-CG1 3.94Å; R268-V280 HydrophobicContact CG-CG1 4.02Å; R268-V280 HydrophobicContact CG-CG2 4.25Å; A269-V280 HydrophobicContact CB-CB 4.11Å; A269-V280 HydrophobicContact CB-CG1 3.96Å; A269-V280 HydrophobicContact CB-CG2 4.23Å; M272-V280 HydrophobicContact CE-CG2 4.18Å; M272-V280 HydrophobicContact SD-CG2 3.43Å; M272-V280 WeakPolarHBondContact SD-CG2 3.49Å; R277-V280 WeakPolarHBondContact O-CB 3.35Å; R277-V280 PolarHBondContact O-N 3.24Å; R277-V280 VanDerWaalsContact O-N 3.09Å
281	D	98.2	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	160.7	175.4	62.7	-47.1	0	0	0	112.4	C198 K200 Y201 V241 K266 R268	C198-D281 HydrophobicContact CB-CB 4Å; K200-D281 VanDerWaalsContact CE-OD1 3.26Å; K200-D281 WeakPolarHBondContact CE-OD1 3.48Å; K200-D281 IonicContact NZ-OD1 2.68Å; K200-D281 PolarHBondContact NZ-OD1 2.97Å; K200-D281 IonicContact NZ-OD2 3.06Å; Y201-D281 PolarHBondContact OH-OD1 3.1Å; Y201-D281 PolarHBondContact OH-OD2 3.09Å; V241-D281 CarbonylContact O-C 3.43Å; V241-D281 VanDerWaalsContact O-CA 3.22Å; V241-D281 WeakPolarHBondContact O-CA 3.3Å; K266-D281 WeakPolarHBondContact CB-O 3.33Å; K266-D281 WeakPolarHBondContact CG-O 3.32Å; K266-D281 PolarHBondContact N-O 2.94Å; K266-D281 IonicContact NZ-OD1 3.79Å; K266-D281 IonicContact NZ-OD2 2.89Å; K266-D281 PolarHBondContact NZ-OD2 2.81Å; R268-D281 IonicContact NH2-OD1 2.86Å
282	G	98.5	Very high	97	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-160.2	178.2	0	0	0	0	0	113.4	E240 V241 S264	E240-G282 PolarHBondContact N-O 3Å; V241-G282 PolarHBondContact N-O 3.11Å; V241-G282 PolarHBondContact O-N 2.77Å; S264-G282 VanDerWaalsContact O-CA 3.28Å; S264-G282 WeakPolarHBondContact O-CA 3.24Å
283	C	98.8	Very high	97.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.2	179.1	-63.6	0	0	0	0	110.2	L238 F263 S264 V328	L238-C283 WeakPolarHBondContact O-CA 3.24Å; F263-C283 WeakPolarHBondContact CA-O 3.49Å; F263-C283 WeakPolarHBondContact CD2-O 3.43Å; S264-C283 PolarHBondContact N-O 3.11Å; S264-C283 VanDerWaalsContact N-O 3.11Å; S264-C283 PolarHBondContact O-N 2.8Å; S264-C283 VanDerWaalsContact O-N 3.14Å; C283-V328 HydrophobicContact CB-CG1 4.29Å; C283-V328 HydrophobicContact CB-CG2 3.74Å
284	A	98.9	Very high	97.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.6	175.8	0	0	0	0	0	111.6	S237 L238 V241 Y246 F262 F263 F286 N358	S237-A284 WeakPolarHBondContact CA-O 3.35Å; L238-A284 HydrophobicContact CB-CB 4.39Å; L238-A284 PolarHBondContact N-O 2.8Å; L238-A284 PolarHBondContact O-N 3.02Å; V241-A284 HydrophobicContact CG2-CB 4.28Å; Y246-A284 HydrophobicContact CD2-CB 4.09Å; Y246-A284 HydrophobicContact CE2-CB 4.13Å; F262-A284 CarbonylContact O-C 3.41Å; F262-A284 VanDerWaalsContact O-CA 3.22Å; F262-A284 WeakPolarHBondContact O-CA 3.18Å; F263-A284 HydrophobicContact CB-CB 4.24Å; F263-A284 HydrophobicContact CD2-CB 4.09Å; A284-F286 HydrophobicContact CB-CD2 4.45Å; A284-F286 HydrophobicContact CB-CE2 3.79Å; A284-F286 HydrophobicContact CB-CZ 4.38Å; A284-N358 PolarHBondContact O-ND2 3.3Å
285	I	98.9	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.4	166.9	-62.1	171.2	0	0	0	107.7	I235 I236 G261 F262 V328 V330 V356 N358	I235-I285 HydrophobicContact CG2-CG2 4.36Å; I236-I285 CarbonylContact O-C 3.49Å; I236-I285 VanDerWaalsContact O-CA 3.32Å; I236-I285 WeakPolarHBondContact O-CA 3.44Å; G261-I285 CarbonylContact C-O 3.52Å; G261-I285 VanDerWaalsContact CA-O 3.29Å; G261-I285 WeakPolarHBondContact CA-O 3.17Å; F262-I285 PolarHBondContact N-O 2.96Å; F262-I285 PolarHBondContact O-N 3.31Å; I285-V328 HydrophobicContact CD1-CG2 3.87Å; I285-V328 HydrophobicContact CG1-CG2 3.92Å; I285-V330 HydrophobicContact CB-CG2 4.38Å; I285-V330 HydrophobicContact CD1-CG1 4.47Å; I285-V330 HydrophobicContact CD1-CG2 4.04Å; I285-V330 HydrophobicContact CG2-CG2 3.78Å; I285-V356 HydrophobicContact CD1-CB 4.41Å; I285-V356 HydrophobicContact CD1-CG1 4.07Å; I285-V356 WeakPolarHBondContact CD1-O 3.34Å; I285-V356 HydrophobicContact CG2-CG1 4.08Å; I285-N358 HydrophobicContact CD1-CB 3.79Å; I285-N358 HydrophobicContact CG1-CB 3.65Å
286	F	98.9	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.4	168.7	-57.2	-93.2	0	0	0	110.2	I235 I236 L238 Y246 F250 L251 L254 Y259 D260 A284	I235-F286 CarbonylContact C-O 3.57Å; I235-F286 WeakPolarHBondContact CA-O 3.18Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 PolarHBondContact N-O 2.9Å; I236-F286 PolarHBondContact O-N 3.02Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 3.93Å; Y246-F286 HydrophobicContact CD2-CE1 4.39Å; Y246-F286 HydrophobicContact CD2-CE2 4.45Å; Y246-F286 AromaticContact CD2-CZ 3.67Å; Y246-F286 HydrophobicContact CD2-CZ 3.67Å; Y246-F286 AromaticContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE2 4.18Å; Y246-F286 AromaticContact CE2-CZ 3.32Å; Y246-F286 HydrophobicContact CE2-CZ 3.32Å; F250-F286 HydrophobicContact CB-CE2 4.3Å; F250-F286 HydrophobicContact CB-CZ 3.71Å; L251-F286 HydrophobicContact CB-CE1 4.28Å; L251-F286 HydrophobicContact CD1-CE1 3.97Å; L254-F286 HydrophobicContact CB-CD1 4.27Å; L254-F286 HydrophobicContact CD1-CB 4.18Å; L254-F286 HydrophobicContact CD1-CD1 3.6Å; L254-F286 HydrophobicContact CD1-CD2 3.69Å; L254-F286 HydrophobicContact CD1-CE1 3.79Å; L254-F286 HydrophobicContact CD1-CE2 3.87Å; L254-F286 HydrophobicContact CD1-CG 3.54Å; L254-F286 HydrophobicContact CD1-CZ 3.9Å; Y259-F286 HydrophobicContact CD1-CB 4.03Å; D260-F286 VanDerWaalsContact O-CA 3.23Å; D260-F286 WeakPolarHBondContact O-CA 3.02Å; A284-F286 HydrophobicContact CB-CD2 4.45Å; A284-F286 HydrophobicContact CB-CE2 3.79Å; A284-F286 HydrophobicContact CB-CZ 4.38Å
287	F	98.9	Very high	97.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.6	178.1	50.5	-88	0	0	0	110.8	D234 I235 Y259 D260 T289 F292 L294 L332	D234-F287 CarbonylContact O-C 3.58Å; D234-F287 VanDerWaalsContact O-CA 3.28Å; D234-F287 WeakPolarHBondContact O-CA 3.4Å; I235-F287 HydrophobicContact CG1-CB 4.4Å; Y259-F287 VanDerWaalsContact CA-O 3.3Å; Y259-F287 WeakPolarHBondContact CA-O 3.38Å; D260-F287 HydrophobicContact CB-CE2 3.92Å; D260-F287 HydrophobicContact CB-CZ 3.84Å; D260-F287 PolarHBondContact N-O 2.87Å; D260-F287 VanDerWaalsContact N-O 3.07Å; D260-F287 PolarHBondContact O-N 3Å; F287-T289 PolarHBondContact O-N 3.05Å; F287-F292 HydrophobicContact CB-CB 4.45Å; F287-F292 HydrophobicContact CB-CD2 4.12Å; F287-F292 HydrophobicContact CD2-CB 4.01Å; F287-L294 HydrophobicContact CE1-CD1 4.17Å; F287-L294 HydrophobicContact CE2-CB 4.15Å; F287-L294 HydrophobicContact CZ-CB 3.7Å; F287-L294 HydrophobicContact CZ-CD1 4.11Å; F287-L294 HydrophobicContact CZ-CD2 4.31Å; F287-L294 HydrophobicContact CZ-CG 4.25Å; F287-L332 HydrophobicContact CB-CD1 4.04Å; F287-L332 HydrophobicContact CD1-CD1 4.36Å; F287-L332 HydrophobicContact CD1-CD2 3.86Å; F287-L332 HydrophobicContact CD2-CD2 4.05Å; F287-L332 HydrophobicContact CE1-CD2 3.98Å; F287-L332 HydrophobicContact CE2-CD2 4.15Å; F287-L332 HydrophobicContact CG-CD1 4.1Å; F287-L332 HydrophobicContact CG-CD2 3.93Å; F287-L332 HydrophobicContact CZ-CD2 4.14Å
288	K	98.8	Very high	97.9	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121.8	175.8	-72.7	-170.1	-176.1	172.3	0	111	D232 D234 Y259 E290 K291 F292	D232-K288 PolarHBondContact O-NZ 3.09Å; D232-K288 WeakPolarHBondContact OD1-CE 3.41Å; D232-K288 IonicContact OD1-NZ 2.87Å; D232-K288 PolarHBondContact OD1-NZ 3.08Å; D232-K288 IonicContact OD2-NZ 3.45Å; D232-K288 PolarHBondContact OD2-NZ 2.9Å; D234-K288 PolarHBondContact O-N 2.77Å; D234-K288 WeakPolarHBondContact OD1-CD 3.2Å; D234-K288 IonicContact OD1-NZ 3.7Å; D234-K288 PolarHBondContact OD1-NZ 3.44Å; Y259-K288 HydrophobicContact CD1-CG 4.04Å; Y259-K288 HydrophobicContact CD2-CG 4.45Å; Y259-K288 HydrophobicContact CE1-CG 3.57Å; Y259-K288 HydrophobicContact CE2-CG 4.03Å; Y259-K288 HydrophobicContact CG-CG 4.47Å; Y259-K288 WeakPolarHBondContact OH-CE 3.22Å; K288-E290 HydrophobicContact CB-CG 3.97Å; K288-E290 HydrophobicContact CD-CG 4.45Å; K288-E290 PolarHBondContact O-N 3.01Å; K288-K291 HydrophobicContact CB-CB 4.37Å; K288-K291 PolarHBondContact O-N 3.26Å; K288-K291 VanDerWaalsContact O-N 3.09Å; K288-F292 PolarHBondContact O-N 3.03Å
289	T	98.5	Very high	98	Very high	68 Å²	68	37.1 Å²	37.1	42%	0.417	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.3	-178.3	56.6	0	0	0	0	113.5	G258 D260 F287 K291 H335	G258-T289 WeakPolarHBondContact O-CB 3.14Å; G258-T289 PolarHBondContact O-N 3.39Å; G258-T289 PolarHBondContact O-OG1 2.94Å; D260-T289 HydrophobicContact CB-CG2 3.71Å; F287-T289 PolarHBondContact O-N 3.05Å; T289-K291 PolarHBondContact O-N 3.11Å; T289-H335 PolarHBondContact O-CE1 2.77Å
290	E	97.7	Very high	98	Very high	130 Å²	130	33.3 Å²	33.3	61%	0.607	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.7	170.7	55.5	160.9	-153.5	0	0	114	K288 H335	K288-E290 HydrophobicContact CB-CG 3.97Å; K288-E290 HydrophobicContact CD-CG 4.45Å; K288-E290 PolarHBondContact O-N 3.01Å; E290-H335 PolarHBondContact O-ND1 3.36Å; E290-H335 VanDerWaalsContact O-ND1 3.1Å
291	K	97.7	Very high	98	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.183	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-29.7	-175.8	-78.4	-178.1	-179.9	-174.8	0	112.7	D234 K288 T289 H335 L338	D234-K291 HydrophobicContact CB-CD 4.05Å; D234-K291 WeakPolarHBondContact OD1-CD 3.38Å; D234-K291 WeakPolarHBondContact OD1-CE 3.36Å; D234-K291 IonicContact OD1-NZ 2.74Å; D234-K291 PolarHBondContact OD1-NZ 3.14Å; D234-K291 IonicContact OD2-NZ 3.46Å; D234-K291 PolarHBondContact OD2-NZ 3.05Å; K288-K291 HydrophobicContact CB-CB 4.37Å; K288-K291 PolarHBondContact O-N 3.26Å; K288-K291 VanDerWaalsContact O-N 3.09Å; T289-K291 PolarHBondContact O-N 3.11Å; K291-H335 VanDerWaalsContact C-CG 3.48Å; K291-H335 WeakPolarHBondContact O-CB 3.16Å; K291-H335 PolarHBondContact O-CD2 3.4Å; K291-H335 VanDerWaalsContact O-CG 3.26Å; K291-H335 PolarHBondContact O-N 2.64Å; K291-L338 HydrophobicContact CB-CD1 3.83Å; K291-L338 HydrophobicContact CD-CD1 4.49Å; K291-L338 HydrophobicContact CD-CD2 3.96Å; K291-L338 HydrophobicContact CG-CD1 3.98Å; K291-L338 HydrophobicContact CG-CD2 3.96Å; K291-L338 HydrophobicContact CG-CG 4.14Å
292	F	98.2	Very high	97.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.6	-172.3	-54.8	-74.9	0	0	0	112.4	F189 D234 I235 F287 K288 L332 E333 V334 L354	F189-F292 HydrophobicContact CB-CZ 4Å; F189-F292 HydrophobicContact CD1-CZ 4.28Å; F189-F292 HydrophobicContact CD2-CZ 4.17Å; F189-F292 AromaticContact CG-CZ 3.9Å; F189-F292 HydrophobicContact CG-CZ 3.9Å; D234-F292 HydrophobicContact CB-CE2 4.04Å; I235-F292 HydrophobicContact CD1-CE1 4.39Å; I235-F292 HydrophobicContact CD1-CE2 3.99Å; I235-F292 HydrophobicContact CD1-CZ 3.83Å; I235-F292 HydrophobicContact CG1-CD2 4.31Å; I235-F292 HydrophobicContact CG1-CE2 3.73Å; I235-F292 HydrophobicContact CG1-CZ 4.11Å; F287-F292 HydrophobicContact CB-CB 4.45Å; F287-F292 HydrophobicContact CB-CD2 4.12Å; F287-F292 HydrophobicContact CD2-CB 4.01Å; K288-F292 PolarHBondContact O-N 3.03Å; F292-L332 HydrophobicContact CB-CB 4.26Å; F292-L332 HydrophobicContact CB-CD1 4.06Å; F292-L332 HydrophobicContact CB-CD2 4.48Å; F292-L332 HydrophobicContact CB-CG 4.49Å; F292-L332 HydrophobicContact CD1-CB 4.26Å; F292-L332 HydrophobicContact CD1-CD1 4.17Å; F292-L332 HydrophobicContact CG-CD1 4.02Å; F292-E333 CarbonylContact C-O 3.53Å; F292-E333 VanDerWaalsContact CA-O 3.31Å; F292-E333 WeakPolarHBondContact CA-O 3.43Å; F292-V334 HydrophobicContact CD1-CB 4.49Å; F292-V334 HydrophobicContact CD1-CG2 4.17Å; F292-V334 HydrophobicContact CE1-CB 4.46Å; F292-V334 HydrophobicContact CE1-CG1 4.16Å; F292-V334 HydrophobicContact CE1-CG2 4.01Å; F292-L354 HydrophobicContact CE1-CD2 4.06Å
293	T	97.5	Very high	97.7	Very high	66 Å²	66	35.8 Å²	35.8	41%	0.405	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.8	169.2	-64	0	0	0	0	110.2	V295 L332 E333 H335	T293-V295 PolarHBondContact O-N 2.89Å; T293-L332 CarbonylContact O-C 3.56Å; T293-L332 WeakPolarHBondContact O-CA 3.14Å; T293-E333 PolarHBondContact N-O 3.49Å; T293-E333 PolarHBondContact O-N 3.22Å; T293-H335 PolarHBondContact OG1-NE2 3.4Å
294	L	97.9	Very high	97.4	Very high	54 Å²	54	40.2 Å²	40.2	28%	0.283	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.7	176.5	-174.6	64	0	0	0	111.4	F287 Q296 V330 L332	F287-L294 HydrophobicContact CE1-CD1 4.17Å; F287-L294 HydrophobicContact CE2-CB 4.15Å; F287-L294 HydrophobicContact CZ-CB 3.7Å; F287-L294 HydrophobicContact CZ-CD1 4.11Å; F287-L294 HydrophobicContact CZ-CD2 4.31Å; F287-L294 HydrophobicContact CZ-CG 4.25Å; L294-Q296 VanDerWaalsContact CD1-O 3.28Å; L294-Q296 WeakPolarHBondContact CD1-O 3.19Å; L294-V330 HydrophobicContact CD1-CB 3.77Å; L294-V330 HydrophobicContact CD1-CG1 3.91Å; L294-L332 HydrophobicContact CD1-CD2 3.95Å
295	V	94.9	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	30%	0.303	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-39.8	178.9	-174.1	0	0	0	0	111.7	T293 V331 E333 L353	T293-V295 PolarHBondContact O-N 2.89Å; V295-V331 WeakPolarHBondContact CA-O 3.26Å; V295-V331 HydrophobicContact CB-CB 4.4Å; V295-V331 HydrophobicContact CB-CG1 4.25Å; V295-V331 WeakPolarHBondContact CB-O 3.32Å; V295-V331 PolarHBondContact N-O 3.09Å; V295-E333 HydrophobicContact CG2-CB 3.79Å; V295-L353 HydrophobicContact CG2-CD2 4.17Å
296	Q	96.3	Very high	96.7	Very high	35 Å²	35	40.9 Å²	40.9	16%	0.164	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.9	174.9	-64.5	-176.9	-17.3	0	0	111.1	L294 H298 V330 V331 R392	L294-Q296 VanDerWaalsContact CD1-O 3.28Å; L294-Q296 WeakPolarHBondContact CD1-O 3.19Å; Q296-H298 PolarHBondContact OE1-NE2 3.48Å; Q296-V330 CarbonylContact O-C 3.58Å; Q296-V330 VanDerWaalsContact O-CA 3.28Å; Q296-V330 WeakPolarHBondContact O-CA 3.04Å; Q296-V331 HydrophobicContact CB-CB 4.07Å; Q296-V331 HydrophobicContact CB-CG2 4.09Å; Q296-V331 PolarHBondContact N-O 3.23Å; Q296-V331 PolarHBondContact O-N 3.11Å; Q296-R392 VanDerWaalsContact CG-NH2 3.33Å
297	K	98	Very high	96.2	Very high	127 Å²	127	46.4 Å²	46.4	55%	0.552	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137	137.9	171.8	63	-168.5	-177	179	0	109.4	F262 A329 V330	F262-K297 HydrophobicContact CD1-CB 3.86Å; F262-K297 HydrophobicContact CD2-CB 3.94Å; F262-K297 HydrophobicContact CD2-CD 3.6Å; F262-K297 HydrophobicContact CD2-CG 4.13Å; F262-K297 HydrophobicContact CE1-CB 3.96Å; F262-K297 HydrophobicContact CE2-CB 4.05Å; F262-K297 HydrophobicContact CE2-CD 3.79Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.83Å; F262-K297 HydrophobicContact CG-CD 4.23Å; F262-K297 HydrophobicContact CZ-CB 4.05Å; F262-K297 HydrophobicContact CZ-CG 4.3Å; K297-A329 CarbonylContact C-O 3.54Å; K297-A329 WeakPolarHBondContact CA-O 3.3Å; K297-V330 HydrophobicContact CB-CG1 4.21Å
298	H	98.3	Very high	95.8	Very high	48 Å²	48	49.8 Å²	49.8	22%	0.222	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.1	-175.7	-61.3	-84.5	0	0	0	110.3	F262 Q296 V328 A329 I385	F262-H298 WeakPolarHBondContact CE1-O 3.13Å; Q296-H298 PolarHBondContact OE1-NE2 3.48Å; H298-V328 CarbonylContact O-C 3.41Å; H298-V328 WeakPolarHBondContact O-CA 3.48Å; H298-A329 PolarHBondContact N-O 2.99Å; H298-A329 PolarHBondContact O-N 3.05Å; H298-I385 HydrophobicContact CB-CD1 3.5Å; H298-I385 VanDerWaalsContact CB-CD1 3.5Å; H298-I385 HydrophobicContact CB-CG1 4.15Å; H298-I385 VanDerWaalsContact CD2-CG2 3.41Å; H298-I385 WeakPolarHBondContact CD2-CG2 3.39Å; H298-I385 WeakPolarHBondContact NE2-CG2 3.44Å
299	T	98.5	Very high	95.1	Very high	50 Å²	50	50.7 Å²	50.7	31%	0.307	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.5	168	-58.3	0	0	0	0	108.2	S264 E301	S264-T299 WeakPolarHBondContact CB-OG1 3.5Å; S264-T299 WeakPolarHBondContact OG-CG2 3.44Å; S264-T299 PolarHBondContact OG-OG1 3.37Å; T299-E301 HydrophobicContact CG2-CG 3.95Å
300	V	98	Very high	94.2	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.7	172.8	-177	0	0	0	0	108.3	F302 V305 I326 G327 F378 E381	V300-F302 HydrophobicContact CB-CE1 4.39Å; V300-F302 HydrophobicContact CG1-CD1 3.9Å; V300-F302 HydrophobicContact CG1-CE1 3.88Å; V300-V305 HydrophobicContact CG1-CG2 3.86Å; V300-I326 VanDerWaalsContact O-CA 3.3Å; V300-I326 WeakPolarHBondContact O-CA 3.42Å; V300-G327 PolarHBondContact N-O 3.08Å; V300-G327 PolarHBondContact O-N 3.08Å; V300-F378 HydrophobicContact CB-CD2 3.83Å; V300-F378 HydrophobicContact CB-CE2 4.02Å; V300-F378 HydrophobicContact CG1-CD2 4.05Å; V300-F378 HydrophobicContact CG2-CD2 3.89Å; V300-F378 HydrophobicContact CG2-CE2 3.87Å; V300-E381 HydrophobicContact CG1-CB 3.95Å; V300-E381 HydrophobicContact CG1-CG 3.86Å; V300-E381 HydrophobicContact CG2-CB 3.74Å; V300-E381 HydrophobicContact CG2-CG 4.38Å
301	E	96.9	Very high	93.3	Very high	21 Å²	21	47.8 Å²	47.8	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.2	179.4	-62.8	178.3	-148.2	0	0	108.5	S267 K270 T299 N303 Q304 V305 I326	S267-E301 WeakPolarHBondContact CB-OE2 3.39Å; S267-E301 WeakPolarHBondContact OG-CB 3.21Å; S267-E301 VanDerWaalsContact OG-CG 3.23Å; S267-E301 WeakPolarHBondContact OG-CG 3.4Å; S267-E301 PolarHBondContact OG-OE2 2.99Å; K270-E301 WeakPolarHBondContact CE-OE1 3.32Å; K270-E301 IonicContact NZ-OE1 3.89Å; K270-E301 PolarHBondContact NZ-OE1 3.09Å; K270-E301 IonicContact NZ-OE2 2.85Å; K270-E301 PolarHBondContact NZ-OE2 2.8Å; T299-E301 HydrophobicContact CG2-CG 3.95Å; E301-N303 WeakPolarHBondContact CB-OD1 3.5Å; E301-N303 PolarHBondContact O-N 3.39Å; E301-Q304 HydrophobicContact CB-CB 4.22Å; E301-Q304 HydrophobicContact CB-CG 3.93Å; E301-Q304 WeakPolarHBondContact O-CB 3.45Å; E301-Q304 PolarHBondContact O-N 3.13Å; E301-Q304 PolarHBondContact OE2-NE2 3.36Å; E301-V305 PolarHBondContact O-N 3.45Å; E301-I326 HydrophobicContact CG-CG2 4.17Å
302	F	95.9	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-31.2	-168	-55.6	-36.1	0	0	0	112.9	V300 V305 A306 N325 A359 M361 Q374 F378	V300-F302 HydrophobicContact CB-CE1 4.39Å; V300-F302 HydrophobicContact CG1-CD1 3.9Å; V300-F302 HydrophobicContact CG1-CE1 3.88Å; F302-V305 PolarHBondContact O-N 3.46Å; F302-A306 VanDerWaalsContact O-CB 3.23Å; F302-A306 WeakPolarHBondContact O-CB 3.28Å; F302-A306 PolarHBondContact O-N 3.43Å; F302-N325 VanDerWaalsContact CD2-C 3.47Å; F302-N325 HydrophobicContact CD2-CB 3.58Å; F302-N325 VanDerWaalsContact CD2-O 3.28Å; F302-N325 WeakPolarHBondContact CD2-O 3.18Å; F302-N325 HydrophobicContact CE2-CB 3.93Å; F302-N325 PolarHBondContact N-O 3.06Å; F302-A359 HydrophobicContact CZ-CB 4.26Å; F302-M361 HydrophobicContact CE2-SD 3.76Å; F302-M361 HydrophobicContact CZ-CE 4.2Å; F302-M361 HydrophobicContact CZ-SD 4.03Å; F302-Q374 HydrophobicContact CB-CG 4.04Å; F302-Q374 HydrophobicContact CD2-CB 3.84Å; F302-Q374 HydrophobicContact CD2-CG 3.64Å; F302-Q374 HydrophobicContact CE2-CB 4.12Å; F302-Q374 HydrophobicContact CE2-CG 4.37Å; F302-Q374 HydrophobicContact CG-CB 4.22Å; F302-Q374 HydrophobicContact CG-CG 4Å; F302-F378 HydrophobicContact CE1-CB 3.66Å; F302-F378 AromaticContact CE1-CD2 3.86Å; F302-F378 HydrophobicContact CE1-CD2 3.86Å; F302-F378 AromaticContact CE1-CG 3.98Å; F302-F378 HydrophobicContact CE1-CG 3.98Å; F302-F378 HydrophobicContact CZ-CB 4.09Å; F302-F378 HydrophobicContact CZ-CD2 4.32Å; F302-F378 HydrophobicContact CZ-CG 4.22Å
303	N	93.3	Very high	91.2	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-38.5	173	58.8	-5	0	0	0	113	E301 M307 M321	E301-N303 WeakPolarHBondContact CB-OD1 3.5Å; E301-N303 PolarHBondContact O-N 3.39Å; N303-M307 WeakPolarHBondContact O-CB 3.23Å; N303-M307 PolarHBondContact O-N 3.28Å; N303-M321 HydrophobicContact CB-CG 4.41Å; N303-M321 WeakPolarHBondContact CB-O 3.34Å
304	Q	92.9	Very high	90.5	Very high	94 Å²	94	54 Å²	54	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-72.4	-40.9	176.6	-62.1	-168.7	11.1	0	0	111.4	E301 A306 M307 A308	E301-Q304 HydrophobicContact CB-CB 4.22Å; E301-Q304 HydrophobicContact CB-CG 3.93Å; E301-Q304 WeakPolarHBondContact O-CB 3.45Å; E301-Q304 PolarHBondContact O-N 3.13Å; E301-Q304 PolarHBondContact OE2-NE2 3.36Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; Q304-M307 WeakPolarHBondContact O-CB 3.19Å; Q304-M307 PolarHBondContact O-N 2.92Å; Q304-A308 PolarHBondContact O-N 3.26Å
305	V	92.8	Very high	89.9	Confident	14 Å²	14	53.3 Å²	53.3	9%	0.085	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-42.6	175.7	-176.8	0	0	0	0	110.3	V300 E301 F302 A308 N309 M377 E381 F447	V300-V305 HydrophobicContact CG1-CG2 3.86Å; E301-V305 PolarHBondContact O-N 3.45Å; F302-V305 PolarHBondContact O-N 3.46Å; V305-A308 PolarHBondContact O-N 2.88Å; V305-N309 WeakPolarHBondContact O-CB 3.32Å; V305-N309 PolarHBondContact O-N 3.32Å; V305-N309 VanDerWaalsContact O-N 3.15Å; V305-N309 PolarHBondContact O-ND2 2.76Å; V305-M377 HydrophobicContact CB-CB 4.37Å; V305-M377 HydrophobicContact CB-CG 4.37Å; V305-M377 HydrophobicContact CB-SD 4.22Å; V305-M377 HydrophobicContact CG1-CB 3.83Å; V305-M377 HydrophobicContact CG1-CG 3.74Å; V305-M377 HydrophobicContact CG1-SD 4.17Å; V305-E381 HydrophobicContact CG1-CG 4.4Å; V305-E381 HydrophobicContact CG2-CG 3.9Å; V305-F447 HydrophobicContact CG1-CE1 3.87Å; V305-F447 HydrophobicContact CG1-CZ 4.2Å
306	A	91.2	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-49.2	173.4	0	0	0	0	0	111.6	F302 Q304 A308 N309 S310 M316 V320 M377	F302-A306 VanDerWaalsContact O-CB 3.23Å; F302-A306 WeakPolarHBondContact O-CB 3.28Å; F302-A306 PolarHBondContact O-N 3.43Å; Q304-A306 VanDerWaalsContact C-N 3.33Å; A306-A308 VanDerWaalsContact C-N 3.3Å; A306-A308 PolarHBondContact O-N 2.76Å; A306-N309 CarbonylContact O-C 3.52Å; A306-N309 PolarHBondContact O-N 2.78Å; A306-N309 VanDerWaalsContact O-N 3.11Å; A306-S310 WeakPolarHBondContact O-CB 3.44Å; A306-S310 PolarHBondContact O-N 3.34Å; A306-S310 PolarHBondContact O-OG 2.91Å; A306-M316 HydrophobicContact CB-CE 4.48Å; A306-M316 HydrophobicContact CB-SD 3.84Å; A306-V320 HydrophobicContact CB-CB 4.21Å; A306-V320 HydrophobicContact CB-CG1 3.92Å; A306-M377 HydrophobicContact CB-CE 3.61Å; A306-M377 HydrophobicContact CB-SD 4.13Å
307	M	89.2	Confident	89	Confident	116 Å²	116	51.5 Å²	51.5	57%	0.571	29%	0.293	S	S	*	.	H	α-helix	trans	-55.1	-45.7	177.5	-170.8	168.8	64	0	0	112	N303 Q304 N309 S310 M321	N303-M307 WeakPolarHBondContact O-CB 3.23Å; N303-M307 PolarHBondContact O-N 3.28Å; Q304-M307 WeakPolarHBondContact O-CB 3.19Å; Q304-M307 PolarHBondContact O-N 2.92Å; M307-N309 VanDerWaalsContact C-N 3.28Å; M307-N309 PolarHBondContact O-N 3.08Å; M307-S310 PolarHBondContact O-OG 2.74Å; M307-M321 HydrophobicContact CB-CE 3.47Å; M307-M321 VanDerWaalsContact CB-CE 3.47Å; M307-M321 HydrophobicContact CG-CE 3.46Å; M307-M321 VanDerWaalsContact CG-CE 3.46Å; M307-M321 HydrophobicContact SD-CE 3.7Å
308	A	88.7	Confident	88.6	Confident	73 Å²	73	50.4 Å²	50.4	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-71.4	-17	-178.9	0	0	0	0	0	114.5	Q304 V305 A306	Q304-A308 PolarHBondContact O-N 3.26Å; V305-A308 PolarHBondContact O-N 2.88Å; A306-A308 VanDerWaalsContact C-N 3.3Å; A306-A308 PolarHBondContact O-N 2.76Å
309	N	85.3	Confident	88.3	Confident	35 Å²	35	50.9 Å²	50.9	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-125	14.2	-173.2	-68.4	-83.6	0	0	0	113.5	V305 A306 M307 F447	V305-N309 WeakPolarHBondContact O-CB 3.32Å; V305-N309 PolarHBondContact O-N 3.32Å; V305-N309 VanDerWaalsContact O-N 3.15Å; V305-N309 PolarHBondContact O-ND2 2.76Å; A306-N309 CarbonylContact O-C 3.52Å; A306-N309 PolarHBondContact O-N 2.78Å; A306-N309 VanDerWaalsContact O-N 3.11Å; M307-N309 VanDerWaalsContact C-N 3.28Å; M307-N309 PolarHBondContact O-N 3.08Å; N309-F447 HydrophobicContact CB-CE1 3.93Å; N309-F447 HydrophobicContact CB-CE2 4.3Å; N309-F447 HydrophobicContact CB-CZ 3.44Å; N309-F447 VanDerWaalsContact CB-CZ 3.44Å
310	S	79.5	Confident	87.9	Confident	19 Å²	19	48.5 Å²	48.5	13%	0.133	28%	0.278	C	S	.	.			trans	-86.2	-1.7	-173.8	59.5	0	0	0	0	116.2	A306 M307 G312 S313 L317	A306-S310 WeakPolarHBondContact O-CB 3.44Å; A306-S310 PolarHBondContact O-N 3.34Å; A306-S310 PolarHBondContact O-OG 2.91Å; M307-S310 PolarHBondContact O-OG 2.74Å; S310-G312 PolarHBondContact O-N 3.43Å; S310-S313 PolarHBondContact O-N 3Å; S310-L317 WeakPolarHBondContact OG-CD1 3.49Å
311	D	78.3	Confident	87.5	Confident	118 Å²	118	51.4 Å²	51.4	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	118.2	177.5	-70.1	-13.1	0	0	0	110.9
312	G	71.6	Confident	87.2	Confident	67 Å²	67	55 Å²	55	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-3	179.2	0	0	0	0	0	116.2	S310	S310-G312 PolarHBondContact O-N 3.43Å
313	S	80.4	Confident	87.1	Confident	13 Å²	13	56.3 Å²	56.3	9%	0.091	32%	0.322	C	S	.	.			trans	-142.2	94	178.3	-169	0	0	0	0	114.4	S310 A315 M316 L317 C443	S310-S313 PolarHBondContact O-N 3Å; S313-A315 PolarHBondContact O-N 3.32Å; S313-M316 PolarHBondContact O-N 2.96Å; S313-M316 WeakPolarHBondContact OG-CB 3.27Å; S313-M316 PolarHBondContact OG-N 3.42Å; S313-L317 PolarHBondContact O-N 3.04Å; S313-C443 VanDerWaalsContact CB-SG 3.57Å
314	E	83.5	Confident	87.2	Confident	159 Å²	159	56.5 Å²	56.5	74%	0.743	32%	0.322	S	S	*	.	H	α-helix	trans	-60	-33.4	169.5	-68.8	-173	172.5	0	0	112.2	L317 N318	E314-L317 PolarHBondContact O-N 3.03Å; E314-N318 WeakPolarHBondContact O-CB 3.41Å; E314-N318 VanDerWaalsContact O-CG 3.3Å; E314-N318 PolarHBondContact O-N 3.19Å; E314-N318 PolarHBondContact O-ND2 3.38Å; E314-N318 VanDerWaalsContact O-ND2 3.12Å
315	A	85.2	Confident	87.4	Confident	41 Å²	41	52.4 Å²	52.4	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-45.4	177.9	0	0	0	0	0	111.6	S313 N318 R319 Y440	S313-A315 PolarHBondContact O-N 3.32Å; A315-N318 PolarHBondContact O-N 3.33Å; A315-R319 WeakPolarHBondContact O-CB 3.3Å; A315-R319 WeakPolarHBondContact O-CG 3.26Å; A315-R319 PolarHBondContact O-N 3.13Å; A315-Y440 HydrophobicContact CB-CE1 4.16Å
316	M	85.4	Confident	87.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-46.1	178.6	-170.8	-82.8	-76.1	0	0	110.1	A306 S313 N318 R319 V320 I373 M377 Y440	A306-M316 HydrophobicContact CB-CE 4.48Å; A306-M316 HydrophobicContact CB-SD 3.84Å; S313-M316 PolarHBondContact O-N 2.96Å; S313-M316 WeakPolarHBondContact OG-CB 3.27Å; S313-M316 PolarHBondContact OG-N 3.42Å; M316-N318 PolarHBondContact O-N 3.22Å; M316-R319 PolarHBondContact O-N 2.86Å; M316-V320 HydrophobicContact CG-CG2 4.06Å; M316-V320 WeakPolarHBondContact O-CB 3.27Å; M316-V320 WeakPolarHBondContact O-CG2 3.4Å; M316-V320 PolarHBondContact O-N 2.92Å; M316-V320 HydrophobicContact SD-CB 4.12Å; M316-V320 HydrophobicContact SD-CG2 4.02Å; M316-I373 HydrophobicContact CG-CD1 4.13Å; M316-I373 HydrophobicContact CG-CG2 4.32Å; M316-M377 HydrophobicContact CE-CE 4.13Å; M316-M377 HydrophobicContact SD-CE 3.66Å; M316-Y440 HydrophobicContact CB-CD1 3.75Å; M316-Y440 HydrophobicContact CB-CE1 3.68Å; M316-Y440 HydrophobicContact CG-CD1 4.29Å; M316-Y440 HydrophobicContact CG-CE1 4.33Å
317	L	85.7	Confident	88.1	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-54.9	-54.8	176.9	-167.8	63.9	0	0	0	111	S310 S313 E314 R319 M321	S310-L317 WeakPolarHBondContact OG-CD1 3.49Å; S313-L317 PolarHBondContact O-N 3.04Å; E314-L317 PolarHBondContact O-N 3.03Å; L317-R319 VanDerWaalsContact C-N 3.35Å; L317-R319 PolarHBondContact O-N 2.95Å; L317-M321 HydrophobicContact CD1-CB 4.19Å; L317-M321 HydrophobicContact CD1-CE 3.32Å; L317-M321 HydrophobicContact CD1-CG 4.44Å; L317-M321 HydrophobicContact CD1-SD 3.75Å; L317-M321 HydrophobicContact CG-CE 4.24Å; L317-M321 HydrophobicContact CG-SD 4.13Å; L317-M321 WeakPolarHBondContact O-CB 3.48Å; L317-M321 PolarHBondContact O-N 2.52Å
318	N	89.4	Confident	88.5	Confident	103 Å²	103	46.3 Å²	46.3	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-36.6	-176.7	-72.3	-34.2	0	0	0	113.5	E314 A315 M316 T322	E314-N318 WeakPolarHBondContact O-CB 3.41Å; E314-N318 VanDerWaalsContact O-CG 3.3Å; E314-N318 PolarHBondContact O-N 3.19Å; E314-N318 PolarHBondContact O-ND2 3.38Å; E314-N318 VanDerWaalsContact O-ND2 3.12Å; A315-N318 PolarHBondContact O-N 3.33Å; M316-N318 PolarHBondContact O-N 3.22Å; N318-T322 VanDerWaalsContact O-CG2 3.3Å; N318-T322 WeakPolarHBondContact O-CG2 3.44Å; N318-T322 PolarHBondContact O-OG1 2.96Å
319	R	92.2	Very high	89	Confident	58 Å²	58	42.9 Å²	42.9	22%	0.219	24%	0.244	C	C	.	.	H	α-helix	trans	-82.8	-40	-175.1	-68.8	-178.4	62.7	75.9	0.2	113	A315 M316 L317 K323 E366 D369 V370 Y440	A315-R319 WeakPolarHBondContact O-CB 3.3Å; A315-R319 WeakPolarHBondContact O-CG 3.26Å; A315-R319 PolarHBondContact O-N 3.13Å; M316-R319 PolarHBondContact O-N 2.86Å; L317-R319 VanDerWaalsContact C-N 3.35Å; L317-R319 PolarHBondContact O-N 2.95Å; R319-K323 WeakPolarHBondContact O-CG 3.4Å; R319-K323 PolarHBondContact O-NZ 3.16Å; R319-E366 PolarHBondContact NH2-O 3.27Å; R319-D369 IonicContact CZ-OD1 3.55Å; R319-D369 IonicContact CZ-OD2 3.28Å; R319-D369 IonicContact NE-OD1 3.58Å; R319-D369 IonicContact NE-OD2 3.52Å; R319-D369 PolarHBondContact NE-OD2 3.45Å; R319-D369 IonicContact NH2-OD1 2.79Å; R319-D369 PolarHBondContact NH2-OD1 3.42Å; R319-D369 IonicContact NH2-OD2 3.57Å; R319-D369 PolarHBondContact NH2-OD2 3.25Å; R319-V370 HydrophobicContact CB-CG2 3.82Å; R319-Y440 WeakPolarHBondContact CD-OH 3.36Å
320	V	91.6	Very high	89.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-91.1	-44.5	-175.5	-174.3	0	0	0	0	112.1	A306 M316 T322 K323 V370 I373 Q374 M377	A306-V320 HydrophobicContact CB-CB 4.21Å; A306-V320 HydrophobicContact CB-CG1 3.92Å; M316-V320 HydrophobicContact CG-CG2 4.06Å; M316-V320 WeakPolarHBondContact O-CB 3.27Å; M316-V320 WeakPolarHBondContact O-CG2 3.4Å; M316-V320 PolarHBondContact O-N 2.92Å; M316-V320 HydrophobicContact SD-CB 4.12Å; M316-V320 HydrophobicContact SD-CG2 4.02Å; V320-T322 PolarHBondContact O-N 3.25Å; V320-K323 PolarHBondContact O-N 3.32Å; V320-V370 HydrophobicContact CG1-CG1 4.49Å; V320-V370 HydrophobicContact CG2-CB 4.47Å; V320-V370 HydrophobicContact CG2-CG1 4.22Å; V320-V370 HydrophobicContact CG2-CG2 4.12Å; V320-I373 HydrophobicContact CG1-CG2 4.5Å; V320-I373 HydrophobicContact CG2-CB 4.19Å; V320-I373 HydrophobicContact CG2-CD1 4.15Å; V320-I373 HydrophobicContact CG2-CG2 3.86Å; V320-Q374 HydrophobicContact CG1-CG 4.26Å; V320-M377 HydrophobicContact CG1-CE 4.19Å; V320-M377 HydrophobicContact CG1-SD 4.12Å
321	M	89.1	Confident	90.5	Very high	67 Å²	67	40.3 Å²	40.3	33%	0.33	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.7	-175.4	-174.1	-171.8	-108.8	0	0	112.8	N303 M307 L317 K323	N303-M321 HydrophobicContact CB-CG 4.41Å; N303-M321 WeakPolarHBondContact CB-O 3.34Å; M307-M321 HydrophobicContact CB-CE 3.47Å; M307-M321 VanDerWaalsContact CB-CE 3.47Å; M307-M321 HydrophobicContact CG-CE 3.46Å; M307-M321 VanDerWaalsContact CG-CE 3.46Å; M307-M321 HydrophobicContact SD-CE 3.7Å; L317-M321 HydrophobicContact CD1-CB 4.19Å; L317-M321 HydrophobicContact CD1-CE 3.32Å; L317-M321 HydrophobicContact CD1-CG 4.44Å; L317-M321 HydrophobicContact CD1-SD 3.75Å; L317-M321 HydrophobicContact CG-CE 4.24Å; L317-M321 HydrophobicContact CG-SD 4.13Å; L317-M321 WeakPolarHBondContact O-CB 3.48Å; L317-M321 PolarHBondContact O-N 2.52Å; M321-K323 PolarHBondContact O-N 3.5Å
322	T	89.4	Confident	91.4	Very high	96 Å²	96	34.7 Å²	34.7	59%	0.589	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.7	179.7	56	0	0	0	0	113.4	N318 V320	N318-T322 VanDerWaalsContact O-CG2 3.3Å; N318-T322 WeakPolarHBondContact O-CG2 3.44Å; N318-T322 PolarHBondContact O-OG1 2.96Å; V320-T322 PolarHBondContact O-N 3.25Å
323	K	94.7	Very high	92.4	Very high	29 Å²	29	33.5 Å²	33.5	13%	0.126	18%	0.176	C	C	.	.			trans	-103.5	112.1	-178.7	-53	-52.1	-177.7	-65.1	0	110.3	R319 V320 M321 N325 V370	R319-K323 WeakPolarHBondContact O-CG 3.4Å; R319-K323 PolarHBondContact O-NZ 3.16Å; V320-K323 PolarHBondContact O-N 3.32Å; M321-K323 PolarHBondContact O-N 3.5Å; K323-N325 VanDerWaalsContact C-N 3.29Å; K323-N325 PolarHBondContact O-N 3.47Å; K323-V370 HydrophobicContact CG-CG1 4.14Å
324	D	95.4	Very high	93.1	Very high	37 Å²	37	33 Å²	33	20%	0.198	17%	0.172	C	C	.	.			trans	-83.8	70.7	-178.9	-171	27.7	0	0	0	111.3	K266 S267 R268	K266-D324 WeakPolarHBondContact CB-OD2 3.44Å; K266-D324 WeakPolarHBondContact CD-O 3.26Å; K266-D324 VanDerWaalsContact CE-O 3.32Å; K266-D324 WeakPolarHBondContact CE-O 3.39Å; K266-D324 WeakPolarHBondContact CG-O 3.48Å; S267-D324 WeakPolarHBondContact CA-OD1 3.3Å; S267-D324 WeakPolarHBondContact CB-OD1 3.48Å; S267-D324 PolarHBondContact N-OD1 3.23Å; R268-D324 WeakPolarHBondContact CB-OD2 3.32Å; R268-D324 WeakPolarHBondContact CD-OD2 3.5Å; R268-D324 WeakPolarHBondContact CG-OD2 3.39Å; R268-D324 PolarHBondContact N-OD2 2.86Å
325	N	97.8	Very high	93.6	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.048	15%	0.146	C	C	.	.			trans	-114.2	151	176.5	-72	97.2	0	0	0	109.6	F302 K323 H360 M361 H362 Q374	F302-N325 VanDerWaalsContact CD2-C 3.47Å; F302-N325 HydrophobicContact CD2-CB 3.58Å; F302-N325 VanDerWaalsContact CD2-O 3.28Å; F302-N325 WeakPolarHBondContact CD2-O 3.18Å; F302-N325 HydrophobicContact CE2-CB 3.93Å; F302-N325 PolarHBondContact N-O 3.06Å; K323-N325 VanDerWaalsContact C-N 3.29Å; K323-N325 PolarHBondContact O-N 3.47Å; N325-H360 WeakPolarHBondContact CB-O 3.19Å; N325-H360 PolarHBondContact ND2-O 3.27Å; N325-M361 PolarHBondContact ND2-O 2.92Å; N325-H362 PolarHBondContact ND2-N 2.89Å; N325-Q374 PolarHBondContact OD1-NE2 3.42Å
326	I	98.3	Very high	93.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.5	-174.9	62.5	162.2	0	0	0	111.3	S264 K266 V300 E301 H360	S264-I326 WeakPolarHBondContact O-CD1 3.42Å; K266-I326 HydrophobicContact CG-CG1 4.29Å; V300-I326 VanDerWaalsContact O-CA 3.3Å; V300-I326 WeakPolarHBondContact O-CA 3.42Å; E301-I326 HydrophobicContact CG-CG2 4.17Å; I326-H360 PolarHBondContact O-N 2.82Å
327	G	98.6	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.9	159.5	0	0	0	0	0	111	V300 N358	V300-G327 PolarHBondContact N-O 3.08Å; V300-G327 PolarHBondContact O-N 3.08Å; G327-N358 CarbonylContact C-O 3.58Å; G327-N358 WeakPolarHBondContact CA-O 3.31Å
328	V	98.8	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.6	173.1	-66.3	0	0	0	0	109.3	F262 C283 I285 H298 A357 N358	F262-V328 HydrophobicContact CD1-CB 4.03Å; F262-V328 HydrophobicContact CD1-CG1 4.35Å; F262-V328 HydrophobicContact CE1-CB 3.75Å; F262-V328 HydrophobicContact CE1-CG1 3.8Å; F262-V328 HydrophobicContact CZ-CG1 4.48Å; C283-V328 HydrophobicContact CB-CG1 4.29Å; C283-V328 HydrophobicContact CB-CG2 3.74Å; I285-V328 HydrophobicContact CD1-CG2 3.87Å; I285-V328 HydrophobicContact CG1-CG2 3.92Å; H298-V328 CarbonylContact O-C 3.41Å; H298-V328 WeakPolarHBondContact O-CA 3.48Å; V328-A357 CarbonylContact O-C 3.52Å; V328-A357 WeakPolarHBondContact O-CA 3.41Å; V328-N358 HydrophobicContact CG2-CB 3.93Å; V328-N358 PolarHBondContact N-O 3.29Å; V328-N358 PolarHBondContact O-N 3.43Å
329	A	98.8	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.8	174.4	0	0	0	0	0	110.6	K297 H298 I355 V356 A357 I385	K297-A329 CarbonylContact C-O 3.54Å; K297-A329 WeakPolarHBondContact CA-O 3.3Å; H298-A329 PolarHBondContact N-O 2.99Å; H298-A329 PolarHBondContact O-N 3.05Å; A329-I355 HydrophobicContact CB-CD1 4.31Å; A329-I355 HydrophobicContact CB-CG1 4.45Å; A329-V356 CarbonylContact C-O 3.44Å; A329-V356 VanDerWaalsContact CA-O 3.25Å; A329-V356 WeakPolarHBondContact CA-O 3.39Å; A329-A357 HydrophobicContact CB-CB 4.39Å; A329-I385 HydrophobicContact CB-CD1 4.06Å
330	V	98.6	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.7	172	-63.4	0	0	0	0	109.8	F262 I285 L294 Q296 K297 L332 I355 V356	F262-V330 HydrophobicContact CB-CG1 3.84Å; F262-V330 HydrophobicContact CD1-CG1 3.81Å; F262-V330 HydrophobicContact CG-CG1 4.18Å; I285-V330 HydrophobicContact CB-CG2 4.38Å; I285-V330 HydrophobicContact CD1-CG1 4.47Å; I285-V330 HydrophobicContact CD1-CG2 4.04Å; I285-V330 HydrophobicContact CG2-CG2 3.78Å; L294-V330 HydrophobicContact CD1-CB 3.77Å; L294-V330 HydrophobicContact CD1-CG1 3.91Å; Q296-V330 CarbonylContact O-C 3.58Å; Q296-V330 VanDerWaalsContact O-CA 3.28Å; Q296-V330 WeakPolarHBondContact O-CA 3.04Å; K297-V330 HydrophobicContact CB-CG1 4.21Å; V330-L332 HydrophobicContact CB-CD2 4.32Å; V330-L332 HydrophobicContact CG2-CD1 4.32Å; V330-L332 HydrophobicContact CG2-CD2 4Å; V330-L332 HydrophobicContact CG2-CG 4.03Å; V330-I355 WeakPolarHBondContact O-CA 3.42Å; V330-V356 HydrophobicContact CG2-CB 3.89Å; V330-V356 HydrophobicContact CG2-CG2 4.46Å; V330-V356 PolarHBondContact N-O 3.14Å; V330-V356 PolarHBondContact O-N 3.44Å
331	V	97.3	Very high	91.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.3	169.6	-177.3	0	0	0	0	106.8	V295 Q296 L353 I355 I385 A389	V295-V331 WeakPolarHBondContact CA-O 3.26Å; V295-V331 HydrophobicContact CB-CB 4.4Å; V295-V331 HydrophobicContact CB-CG1 4.25Å; V295-V331 WeakPolarHBondContact CB-O 3.32Å; V295-V331 PolarHBondContact N-O 3.09Å; Q296-V331 HydrophobicContact CB-CB 4.07Å; Q296-V331 HydrophobicContact CB-CG2 4.09Å; Q296-V331 PolarHBondContact N-O 3.23Å; Q296-V331 PolarHBondContact O-N 3.11Å; V331-L353 HydrophobicContact CG1-CD1 4.37Å; V331-L353 HydrophobicContact CG1-CD2 4.36Å; V331-I355 HydrophobicContact CG2-CD1 4.25Å; V331-I355 HydrophobicContact CG2-CG1 4.49Å; V331-I385 HydrophobicContact CG2-CG2 3.89Å; V331-A389 HydrophobicContact CG1-CB 4.49Å; V331-A389 HydrophobicContact CG2-CB 4.45Å
332	L	96.9	Very high	90.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.2	-178.3	-58.1	179.8	0	0	0	110.2	I235 F287 F292 T293 L294 V330 L353 L354 V356	I235-L332 HydrophobicContact CD1-CD1 4.43Å; F287-L332 HydrophobicContact CB-CD1 4.04Å; F287-L332 HydrophobicContact CD1-CD1 4.36Å; F287-L332 HydrophobicContact CD1-CD2 3.86Å; F287-L332 HydrophobicContact CD2-CD2 4.05Å; F287-L332 HydrophobicContact CE1-CD2 3.98Å; F287-L332 HydrophobicContact CE2-CD2 4.15Å; F287-L332 HydrophobicContact CG-CD1 4.1Å; F287-L332 HydrophobicContact CG-CD2 3.93Å; F287-L332 HydrophobicContact CZ-CD2 4.14Å; F292-L332 HydrophobicContact CB-CB 4.26Å; F292-L332 HydrophobicContact CB-CD1 4.06Å; F292-L332 HydrophobicContact CB-CD2 4.48Å; F292-L332 HydrophobicContact CB-CG 4.49Å; F292-L332 HydrophobicContact CD1-CB 4.26Å; F292-L332 HydrophobicContact CD1-CD1 4.17Å; F292-L332 HydrophobicContact CG-CD1 4.02Å; T293-L332 CarbonylContact O-C 3.56Å; T293-L332 WeakPolarHBondContact O-CA 3.14Å; L294-L332 HydrophobicContact CD1-CD2 3.95Å; V330-L332 HydrophobicContact CB-CD2 4.32Å; V330-L332 HydrophobicContact CG2-CD1 4.32Å; V330-L332 HydrophobicContact CG2-CD2 4Å; V330-L332 HydrophobicContact CG2-CG 4.03Å; L332-L353 CarbonylContact O-C 3.45Å; L332-L353 VanDerWaalsContact O-CA 3.27Å; L332-L353 WeakPolarHBondContact O-CA 3.42Å; L332-L354 PolarHBondContact N-O 3.05Å; L332-L354 PolarHBondContact O-N 3.45Å; L332-V356 HydrophobicContact CD1-CG2 3.82Å
333	E	94.3	Very high	88.8	Confident	42 Å²	42	35 Å²	35	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.3	163.3	176.6	172.9	-178.6	0	0	108.2	F292 T293 V295 K351 Q352 L353	F292-E333 CarbonylContact C-O 3.53Å; F292-E333 VanDerWaalsContact CA-O 3.31Å; F292-E333 WeakPolarHBondContact CA-O 3.43Å; T293-E333 PolarHBondContact N-O 3.49Å; T293-E333 PolarHBondContact O-N 3.22Å; V295-E333 HydrophobicContact CG2-CB 3.79Å; E333-K351 HydrophobicContact CG-CB 4.42Å; E333-K351 VanDerWaalsContact OE1-CD 3.29Å; E333-K351 WeakPolarHBondContact OE1-CD 3.22Å; E333-K351 VanDerWaalsContact OE1-CE 3.24Å; E333-K351 WeakPolarHBondContact OE1-CE 3.49Å; E333-K351 VanDerWaalsContact OE1-CG 3.32Å; E333-K351 WeakPolarHBondContact OE1-CG 3.04Å; E333-K351 IonicContact OE1-NZ 2.75Å; E333-K351 PolarHBondContact OE1-NZ 2.91Å; E333-K351 IonicContact OE2-NZ 3.35Å; E333-K351 PolarHBondContact OE2-NZ 2.67Å; E333-Q352 CarbonylContact C-O 3.58Å; E333-Q352 WeakPolarHBondContact CA-O 3.19Å; E333-L353 HydrophobicContact CB-CD2 4.23Å
334	V	94.3	Very high	87	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.2	178.7	-171.8	0	0	0	0	109	A187 F292 L338 F339 Q352 L354 L538	A187-V334 HydrophobicContact CB-CG1 4.49Å; F292-V334 HydrophobicContact CD1-CB 4.49Å; F292-V334 HydrophobicContact CD1-CG2 4.17Å; F292-V334 HydrophobicContact CE1-CB 4.46Å; F292-V334 HydrophobicContact CE1-CG1 4.16Å; F292-V334 HydrophobicContact CE1-CG2 4.01Å; V334-L338 HydrophobicContact CG1-CB 4.46Å; V334-L338 HydrophobicContact CG1-CD1 3.58Å; V334-F339 HydrophobicContact CB-CE2 4.44Å; V334-F339 HydrophobicContact CG1-CE2 3.89Å; V334-F339 HydrophobicContact CG1-CZ 4.45Å; V334-Q352 HydrophobicContact CB-CB 4.09Å; V334-Q352 HydrophobicContact CB-CG 4.01Å; V334-Q352 HydrophobicContact CG2-CB 4.45Å; V334-Q352 HydrophobicContact CG2-CG 3.92Å; V334-Q352 PolarHBondContact N-O 3.44Å; V334-L354 HydrophobicContact CG2-CB 3.87Å; V334-L538 HydrophobicContact CG2-CD2 4.23Å
335	H	93	Very high	84.9	Confident	41 Å²	41	45.2 Å²	45.2	19%	0.19	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.5	141.3	-178.7	-69.6	-169.6	0	0	0	111.3	T289 E290 K291 T293 E337 L338	T289-H335 PolarHBondContact O-CE1 2.77Å; E290-H335 PolarHBondContact O-ND1 3.36Å; E290-H335 VanDerWaalsContact O-ND1 3.1Å; K291-H335 VanDerWaalsContact C-CG 3.48Å; K291-H335 WeakPolarHBondContact O-CB 3.16Å; K291-H335 PolarHBondContact O-CD2 3.4Å; K291-H335 VanDerWaalsContact O-CG 3.26Å; K291-H335 PolarHBondContact O-N 2.64Å; T293-H335 PolarHBondContact OG1-NE2 3.4Å; H335-E337 WeakPolarHBondContact CB-OE2 3.49Å; H335-E337 PolarHBondContact O-N 2.72Å; H335-L338 WeakPolarHBondContact O-CB 3.28Å; H335-L338 PolarHBondContact O-N 2.94Å
336	K	87.3	Confident	82.7	Confident	106 Å²	106	48.7 Å²	48.7	46%	0.461	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67.1	-28.5	-174	-66.6	-177.4	-178.6	-178.5	0	111.7	L338 F339 A348	K336-L338 PolarHBondContact O-N 3.4Å; K336-F339 PolarHBondContact O-N 3.35Å; K336-F339 VanDerWaalsContact O-N 3.13Å; K336-A348 PolarHBondContact NZ-O 3.41Å
337	E	88.1	Confident	80.3	Confident	151 Å²	151	54.8 Å²	54.8	71%	0.706	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.7	178.5	-65.6	73.7	-164.8	0	0	112.2	H335 F339 G340	H335-E337 WeakPolarHBondContact CB-OE2 3.49Å; H335-E337 PolarHBondContact O-N 2.72Å; E337-F339 VanDerWaalsContact C-N 3.28Å; E337-F339 PolarHBondContact O-N 3.06Å; E337-G340 PolarHBondContact O-N 2.91Å
338	L	89.7	Confident	77.8	Confident	28 Å²	28	59.4 Å²	59.4	15%	0.147	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-65.2	-27.6	177.1	-85.3	165.3	0	0	0	113.8	A187 K291 V334 H335 K336 G340	A187-L338 HydrophobicContact CB-CB 3.89Å; K291-L338 HydrophobicContact CB-CD1 3.83Å; K291-L338 HydrophobicContact CD-CD1 4.49Å; K291-L338 HydrophobicContact CD-CD2 3.96Å; K291-L338 HydrophobicContact CG-CD1 3.98Å; K291-L338 HydrophobicContact CG-CD2 3.96Å; K291-L338 HydrophobicContact CG-CG 4.14Å; V334-L338 HydrophobicContact CG1-CB 4.46Å; V334-L338 HydrophobicContact CG1-CD1 3.58Å; H335-L338 WeakPolarHBondContact O-CB 3.28Å; H335-L338 PolarHBondContact O-N 2.94Å; K336-L338 PolarHBondContact O-N 3.4Å; L338-G340 VanDerWaalsContact C-N 3.27Å
339	F	86.7	Confident	75.5	Confident	10 Å²	10	62.8 Å²	62.8	4%	0.044	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-83.1	-4.2	179.5	-66.5	-91.3	0	0	0	113	A187 V334 K336 E337 M343 Q352 L538 P540	A187-F339 HydrophobicContact CB-CD1 3.84Å; A187-F339 HydrophobicContact CB-CD2 4.02Å; A187-F339 HydrophobicContact CB-CE1 3.59Å; A187-F339 HydrophobicContact CB-CE2 3.78Å; A187-F339 HydrophobicContact CB-CG 4.04Å; A187-F339 HydrophobicContact CB-CZ 3.54Å; V334-F339 HydrophobicContact CB-CE2 4.44Å; V334-F339 HydrophobicContact CG1-CE2 3.89Å; V334-F339 HydrophobicContact CG1-CZ 4.45Å; K336-F339 PolarHBondContact O-N 3.35Å; K336-F339 VanDerWaalsContact O-N 3.13Å; E337-F339 VanDerWaalsContact C-N 3.28Å; E337-F339 PolarHBondContact O-N 3.06Å; F339-M343 HydrophobicContact CB-CB 4.45Å; F339-M343 HydrophobicContact CB-CG 3.79Å; F339-M343 HydrophobicContact CB-SD 3.47Å; F339-M343 WeakPolarHBondContact CB-SD 3.26Å; F339-M343 HydrophobicContact CD1-SD 3.74Å; F339-M343 HydrophobicContact CD2-SD 4.04Å; F339-M343 HydrophobicContact CG-CG 4.41Å; F339-M343 HydrophobicContact CG-SD 3.47Å; F339-M343 WeakPolarHBondContact CG-SD 3.32Å; F339-Q352 HydrophobicContact CE2-CB 4.27Å; F339-Q352 HydrophobicContact CE2-CG 4.38Å; F339-Q352 HydrophobicContact CZ-CB 4.32Å; F339-Q352 HydrophobicContact CZ-CG 4Å; F339-L538 HydrophobicContact CZ-CD2 4.17Å; F339-L538 HydrophobicContact CZ-CG 4.42Å; F339-P540 HydrophobicContact CE1-CB 4.39Å
340	G	76.9	Confident	73.9	Confident	40 Å²	40	66.1 Å²	66.1	41%	0.412	39%	0.393	S	S	.	.			trans	74.5	171	-177.2	0	0	0	0	0	114	E337 L338 G342 M343	E337-G340 PolarHBondContact O-N 2.91Å; L338-G340 VanDerWaalsContact C-N 3.27Å; G340-G342 PolarHBondContact O-N 2.71Å; G340-M343 PolarHBondContact O-N 3Å
341	A	65.2	Low	73.1	Confident	116 Å²	116	70.5 Å²	70.5	96%	0.959	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.3	-175.7	0	0	0	0	0	114.7
342	G	58.4	Low	72.7	Confident	58 Å²	58	71.5 Å²	71.5	60%	0.598	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.5	-177.5	0	0	0	0	0	115.1	G340 K344	G340-G342 PolarHBondContact O-N 2.71Å; G342-K344 PolarHBondContact O-N 2.83Å
343	M	55.8	Low	72.5	Confident	64 Å²	64	71.9 Å²	71.9	32%	0.315	42%	0.419	S	S	.	.			trans	-72.1	99	170.3	-87.5	-162.6	86.5	0	0	109.5	P185 F339 G340 P540	P185-M343 HydrophobicContact CB-CG 3.67Å; P185-M343 HydrophobicContact CG-CG 4.28Å; F339-M343 HydrophobicContact CB-CB 4.45Å; F339-M343 HydrophobicContact CB-CG 3.79Å; F339-M343 HydrophobicContact CB-SD 3.47Å; F339-M343 WeakPolarHBondContact CB-SD 3.26Å; F339-M343 HydrophobicContact CD1-SD 3.74Å; F339-M343 HydrophobicContact CD2-SD 4.04Å; F339-M343 HydrophobicContact CG-CG 4.41Å; F339-M343 HydrophobicContact CG-SD 3.47Å; F339-M343 WeakPolarHBondContact CG-SD 3.32Å; G340-M343 PolarHBondContact O-N 3Å; M343-P540 HydrophobicContact CE-CB 4.22Å
344	K	57.4	Low	72.5	Confident	179 Å²	179	69.9 Å²	69.9	78%	0.778	41%	0.41	S	S	*	.			trans	-59.5	128.6	156.1	-69.2	-175.9	179.8	179	0	106.8	G342 I346	G342-K344 PolarHBondContact O-N 2.83Å; K344-I346 PolarHBondContact O-N 2.96Å
345	P	51	Low	72.7	Confident	100 Å²	100	69.8 Å²	69.8	65%	0.649	41%	0.409	S	S	*	.			trans	-56.2	112.8	172.6	21.5	-29.9	0	0	0	107.7	H347	P345-H347 VanDerWaalsContact C-N 3.3Å
346	I	51.6	Low	73	Confident	83 Å²	83	67.8 Å²	67.8	43%	0.426	40%	0.4	S	S	.	.	S	Bend	trans	-64.8	-45.3	178.9	-60	174.8	0	0	0	107.4	K344 L543	K344-I346 PolarHBondContact O-N 2.96Å; I346-L543 HydrophobicContact CG2-CD2 4.26Å
347	H	47.7	Very low	73.5	Confident	130 Å²	130	62.8 Å²	62.8	60%	0.602	38%	0.378	S	S	*	.	S	Bend	trans	-137.4	156.4	155.5	-69.3	-73.8	0	0	0	111.3	P345 A349 D350	P345-H347 VanDerWaalsContact C-N 3.3Å; H347-A349 PolarHBondContact O-N 2.93Å; H347-D350 IonicContact CD2-OD2 2.85Å; H347-D350 PolarHBondContact N-OD2 3.25Å; H347-D350 VanDerWaalsContact N-OD2 3.14Å; H347-D350 PolarHBondContact O-N 3.45Å
348	A	45.9	Very low	74	Confident	96 Å²	96	55.6 Å²	55.6	79%	0.793	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.5	176.7	0	0	0	0	0	113.5	K336	K336-A348 PolarHBondContact NZ-O 3.41Å
349	A	50.2	Low	74.5	Confident	72 Å²	72	54.2 Å²	54.2	60%	0.595	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-1.5	-173.1	0	0	0	0	0	115.7	H347 K351	H347-A349 PolarHBondContact O-N 2.93Å; A349-K351 PolarHBondContact O-N 3.05Å
350	D	66.5	Low	75	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	34%	0.338	S	S	.	.			trans	-79.5	89.4	-176.3	-60.3	-23.3	0	0	0	109.9	H347	H347-D350 IonicContact CD2-OD2 2.85Å; H347-D350 PolarHBondContact N-OD2 3.25Å; H347-D350 VanDerWaalsContact N-OD2 3.14Å; H347-D350 PolarHBondContact O-N 3.45Å
351	K	80.9	Confident	76	Confident	93 Å²	93	52.5 Å²	52.5	40%	0.404	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-72.2	137.8	167	-62.9	-175.3	164	-143	0	108.7	E333 A349 P396	E333-K351 HydrophobicContact CG-CB 4.42Å; E333-K351 VanDerWaalsContact OE1-CD 3.29Å; E333-K351 WeakPolarHBondContact OE1-CD 3.22Å; E333-K351 VanDerWaalsContact OE1-CE 3.24Å; E333-K351 WeakPolarHBondContact OE1-CE 3.49Å; E333-K351 VanDerWaalsContact OE1-CG 3.32Å; E333-K351 WeakPolarHBondContact OE1-CG 3.04Å; E333-K351 IonicContact OE1-NZ 2.75Å; E333-K351 PolarHBondContact OE1-NZ 2.91Å; E333-K351 IonicContact OE2-NZ 3.35Å; E333-K351 PolarHBondContact OE2-NZ 2.67Å; A349-K351 PolarHBondContact O-N 3.05Å; K351-P396 HydrophobicContact CB-CB 4.22Å; K351-P396 HydrophobicContact CB-CG 4.16Å; K351-P396 WeakPolarHBondContact O-CB 3.26Å; K351-P396 WeakPolarHBondContact O-CG 3.46Å
352	Q	88.2	Confident	77.6	Confident	20 Å²	20	47.9 Å²	47.9	9%	0.093	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.9	167.6	177.3	64.9	52.3	0	0	108.4	E333 V334 F339 L538 P541	E333-Q352 CarbonylContact C-O 3.58Å; E333-Q352 WeakPolarHBondContact CA-O 3.19Å; V334-Q352 HydrophobicContact CB-CB 4.09Å; V334-Q352 HydrophobicContact CB-CG 4.01Å; V334-Q352 HydrophobicContact CG2-CB 4.45Å; V334-Q352 HydrophobicContact CG2-CG 3.92Å; V334-Q352 PolarHBondContact N-O 3.44Å; F339-Q352 HydrophobicContact CE2-CB 4.27Å; F339-Q352 HydrophobicContact CE2-CG 4.38Å; F339-Q352 HydrophobicContact CZ-CB 4.32Å; F339-Q352 HydrophobicContact CZ-CG 4Å; Q352-L538 HydrophobicContact CG-CD2 3.98Å; Q352-P541 VanDerWaalsContact OE1-CD 3.22Å; Q352-P541 VanDerWaalsContact OE1-CG 3.31Å
353	L	92.9	Very high	79.3	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	155.2	172.4	-63.1	-178.8	0	0	0	111.1	V295 V331 L332 E333 P396 I403 P404	V295-L353 HydrophobicContact CG2-CD2 4.17Å; V331-L353 HydrophobicContact CG1-CD1 4.37Å; V331-L353 HydrophobicContact CG1-CD2 4.36Å; L332-L353 CarbonylContact O-C 3.45Å; L332-L353 VanDerWaalsContact O-CA 3.27Å; L332-L353 WeakPolarHBondContact O-CA 3.42Å; E333-L353 HydrophobicContact CB-CD2 4.23Å; L353-P396 HydrophobicContact CD1-CG 4.21Å; L353-P396 HydrophobicContact CG-CG 4.1Å; L353-I403 HydrophobicContact CB-CD1 4.29Å; L353-I403 HydrophobicContact CB-CG1 4.27Å; L353-I403 HydrophobicContact CB-CG2 3.94Å; L353-I403 HydrophobicContact CD1-CD1 3.83Å; L353-P404 VanDerWaalsContact O-CD 3.3Å; L353-P404 WeakPolarHBondContact O-CD 3.43Å
354	L	95.5	Very high	81.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.7	172.8	175.2	68.8	0	0	0	107.6	F189 I235 F292 L332 V334 V356 P404 V406 M498	F189-L354 HydrophobicContact CE1-CD2 4.37Å; F189-L354 HydrophobicContact CE2-CD2 4.03Å; F189-L354 HydrophobicContact CZ-CD1 4.4Å; F189-L354 HydrophobicContact CZ-CD2 3.73Å; I235-L354 HydrophobicContact CD1-CD2 3.82Å; F292-L354 HydrophobicContact CE1-CD2 4.06Å; L332-L354 PolarHBondContact N-O 3.05Å; L332-L354 PolarHBondContact O-N 3.45Å; V334-L354 HydrophobicContact CG2-CB 3.87Å; L354-V356 HydrophobicContact CD2-CG2 4.13Å; L354-V356 HydrophobicContact CG-CG2 4.23Å; L354-P404 HydrophobicContact CD1-CB 4.03Å; L354-V406 HydrophobicContact CD1-CG2 4.06Å; L354-M498 HydrophobicContact CD1-SD 4.47Å
355	I	97.6	Very high	82.9	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	168.3	-174.7	159.8	0	0	0	109.6	A329 V330 V331 V382 I385 L386 I403 P404 L405 V406	A329-I355 HydrophobicContact CB-CD1 4.31Å; A329-I355 HydrophobicContact CB-CG1 4.45Å; V330-I355 WeakPolarHBondContact O-CA 3.42Å; V331-I355 HydrophobicContact CG2-CD1 4.25Å; V331-I355 HydrophobicContact CG2-CG1 4.49Å; I355-V382 HydrophobicContact CD1-CG1 3.91Å; I355-I385 HydrophobicContact CD1-CB 4.31Å; I355-I385 HydrophobicContact CD1-CG2 3.74Å; I355-L386 HydrophobicContact CB-CD2 3.84Å; I355-L386 HydrophobicContact CD1-CD2 3.9Å; I355-L386 HydrophobicContact CD1-CG 4.07Å; I355-L386 HydrophobicContact CG2-CD1 4.07Å; I355-L386 HydrophobicContact CG2-CD2 3.64Å; I355-L386 HydrophobicContact CG2-CG 4.16Å; I355-I403 HydrophobicContact CG2-CG2 4.44Å; I355-P404 WeakPolarHBondContact CG2-O 3.27Å; I355-P404 PolarHBondContact N-O 3.22Å; I355-L405 HydrophobicContact CG1-CD1 4.49Å; I355-L405 HydrophobicContact CG2-CB 3.75Å; I355-L405 HydrophobicContact CG2-CD1 3.66Å; I355-L405 HydrophobicContact CG2-CG 4.29Å; I355-L405 WeakPolarHBondContact O-CA 3.48Å; I355-V406 PolarHBondContact O-N 2.94Å
356	V	98.8	Very high	85	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.1	172.7	-174.5	0	0	0	0	107.2	I235 I285 A329 V330 L332 L354 V406	I235-V356 HydrophobicContact CD1-CG2 3.84Å; I235-V356 HydrophobicContact CG2-CG1 3.73Å; I235-V356 HydrophobicContact CG2-CG2 4.17Å; I285-V356 HydrophobicContact CD1-CB 4.41Å; I285-V356 HydrophobicContact CD1-CG1 4.07Å; I285-V356 WeakPolarHBondContact CD1-O 3.34Å; I285-V356 HydrophobicContact CG2-CG1 4.08Å; A329-V356 CarbonylContact C-O 3.44Å; A329-V356 VanDerWaalsContact CA-O 3.25Å; A329-V356 WeakPolarHBondContact CA-O 3.39Å; V330-V356 HydrophobicContact CG2-CB 3.89Å; V330-V356 HydrophobicContact CG2-CG2 4.46Å; V330-V356 PolarHBondContact N-O 3.14Å; V330-V356 PolarHBondContact O-N 3.44Å; L332-V356 HydrophobicContact CD1-CG2 3.82Å; L354-V356 HydrophobicContact CD2-CG2 4.13Å; L354-V356 HydrophobicContact CG-CG2 4.23Å; V356-V406 CarbonylContact C-O 3.48Å; V356-V406 WeakPolarHBondContact CA-O 3.27Å
357	A	98.8	Very high	87.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.7	177.4	0	0	0	0	0	109.7	V328 A329 F378 V382 L405 V406 L407 C408	V328-A357 CarbonylContact O-C 3.52Å; V328-A357 WeakPolarHBondContact O-CA 3.41Å; A329-A357 HydrophobicContact CB-CB 4.39Å; A357-F378 HydrophobicContact CB-CE1 3.83Å; A357-F378 HydrophobicContact CB-CZ 3.76Å; A357-V382 HydrophobicContact CB-CG2 4.05Å; A357-L405 HydrophobicContact CB-CD1 3.91Å; A357-V406 PolarHBondContact N-O 3.32Å; A357-L407 HydrophobicContact CB-CD1 3.82Å; A357-L407 WeakPolarHBondContact O-CA 3.43Å; A357-C408 PolarHBondContact O-N 3.21Å
358	N	98.9	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127.6	178.1	179.9	13.9	0	0	0	110.1	L238 Q239 A284 I285 G327 V328 C408	L238-N358 PolarHBondContact N-ND2 3.14Å; L238-N358 PolarHBondContact O-ND2 2.76Å; Q239-N358 PolarHBondContact NE2-OD1 2.72Å; A284-N358 PolarHBondContact O-ND2 3.3Å; I285-N358 HydrophobicContact CD1-CB 3.79Å; I285-N358 HydrophobicContact CG1-CB 3.65Å; G327-N358 CarbonylContact C-O 3.58Å; G327-N358 WeakPolarHBondContact CA-O 3.31Å; V328-N358 HydrophobicContact CG2-CB 3.93Å; V328-N358 PolarHBondContact N-O 3.29Å; V328-N358 PolarHBondContact O-N 3.43Å; N358-C408 WeakPolarHBondContact CA-O 3.01Å
359	A	98.7	Very high	91.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.1	179.1	0	0	0	0	0	114	F302 M361 F378 C408 A409 D410	F302-A359 HydrophobicContact CZ-CB 4.26Å; A359-M361 HydrophobicContact CB-CE 3.59Å; A359-F378 HydrophobicContact CB-CD1 3.72Å; A359-F378 HydrophobicContact CB-CE1 3.49Å; A359-F378 VanDerWaalsContact CB-CE1 3.49Å; A359-F378 HydrophobicContact CB-CG 4.37Å; A359-F378 HydrophobicContact CB-CZ 3.98Å; A359-C408 PolarHBondContact N-O 3.46Å; A359-A409 HydrophobicContact CB-CB 4.46Å; A359-A409 VanDerWaalsContact O-CA 3.28Å; A359-A409 WeakPolarHBondContact O-CA 3.29Å; A359-D410 PolarHBondContact O-N 3.47Å; A359-D410 VanDerWaalsContact O-N 3.1Å
360	H	98.4	Very high	94	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	106	171.5	179.6	-166.5	0	0	0	109.6	Q239 E240 N325 I326 D410 N412	Q239-H360 HydrophobicContact CB-CB 4.19Å; Q239-H360 HydrophobicContact CG-CB 4.2Å; E240-H360 IonicContact OE1-CE1 3.22Å; E240-H360 PolarHBondContact OE1-CE1 3.39Å; E240-H360 IonicContact OE1-ND1 3.75Å; E240-H360 IonicContact OE1-NE2 2.56Å; N325-H360 WeakPolarHBondContact CB-O 3.19Å; N325-H360 PolarHBondContact ND2-O 3.27Å; I326-H360 PolarHBondContact O-N 2.82Å; H360-D410 IonicContact CD2-OD2 3.8Å; H360-D410 IonicContact NE2-OD2 3.86Å; H360-N412 PolarHBondContact NE2-ND2 3.43Å
361	M	98.1	Very high	95.5	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.15	C	C	.	.			trans	-78.2	162.7	-178.9	-55.8	-53.3	168	0	0	111.8	F302 N325 A359 Q374 F378 D410 L411 N412	F302-M361 HydrophobicContact CE2-SD 3.76Å; F302-M361 HydrophobicContact CZ-CE 4.2Å; F302-M361 HydrophobicContact CZ-SD 4.03Å; N325-M361 PolarHBondContact ND2-O 2.92Å; A359-M361 HydrophobicContact CB-CE 3.59Å; M361-Q374 HydrophobicContact SD-CB 3.72Å; M361-F378 HydrophobicContact CE-CB 4.46Å; M361-F378 HydrophobicContact CE-CD1 4.33Å; M361-D410 PolarHBondContact N-O 2.96Å; M361-L411 HydrophobicContact CE-CD2 3.99Å; M361-L411 HydrophobicContact CG-CD2 3.88Å; M361-N412 PolarHBondContact O-ND2 3.43Å
362	H	97.7	Very high	96.2	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	13%	0.131	C	C	.	.			trans	-59.1	142.2	177.4	-170.7	59.5	0	0	0	112.3	N325 D364 Y367 V370 K371 N412	N325-H362 PolarHBondContact ND2-N 2.89Å; H362-D364 WeakPolarHBondContact NE2-CB 3.44Å; H362-Y367 AromaticContact NE2-CD2 3.94Å; H362-V370 HydrophobicContact CB-CG1 4.36Å; H362-K371 HydrophobicContact CB-CG 4.49Å; H362-K371 WeakPolarHBondContact O-CD 3.23Å; H362-K371 WeakPolarHBondContact O-CE 3.28Å; H362-K371 WeakPolarHBondContact O-CG 3.5Å; H362-N412 VanDerWaalsContact O-CB 3.22Å; H362-N412 WeakPolarHBondContact O-CB 3.3Å
363	W	95.2	Very high	96.5	Very high	171 Å²	171	26.6 Å²	26.6	65%	0.648	13%	0.127	S	C	*	.			trans	-85.5	-37.4	-169.2	71.8	-92.2	0	0	0	114.3	P365 K371	W363-P365 WeakPolarHBondContact O-CD 3.43Å; W363-K371 PolarHBondContact O-NZ 3.14Å
364	D	95.6	Very high	96.7	Very high	40 Å²	40	26.2 Å²	26.2	21%	0.214	12%	0.124	C	C	.	.			trans	-64.2	120.2	-167.5	-174.6	-14.6	0	0	0	112.1	H362 E366 Y367 K371	H362-D364 WeakPolarHBondContact NE2-CB 3.44Å; D364-E366 PolarHBondContact O-N 3.03Å; D364-E366 VanDerWaalsContact O-N 3.14Å; D364-E366 WeakPolarHBondContact OD1-CB 3.34Å; D364-E366 PolarHBondContact OD1-N 3.28Å; D364-Y367 HydrophobicContact CB-CD2 3.75Å; D364-Y367 HydrophobicContact CB-CE2 4.41Å; D364-Y367 PolarHBondContact O-N 3.04Å; D364-Y367 WeakPolarHBondContact OD2-CD2 3.47Å; D364-Y367 WeakPolarHBondContact OD2-CE2 3.36Å; D364-K371 WeakPolarHBondContact O-CE 3.36Å; D364-K371 PolarHBondContact O-NZ 2.95Å
365	P	93.4	Very high	96.8	Very high	92 Å²	92	26.3 Å²	26.3	60%	0.597	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	-54.9	-26.7	176.3	-26.2	35.7	0	0	0	114.4	W363 Y367	W363-P365 WeakPolarHBondContact O-CD 3.43Å; P365-Y367 PolarHBondContact O-N 2.77Å; P365-Y367 VanDerWaalsContact O-N 3.1Å
366	E	94.7	Very high	96.7	Very high	120 Å²	120	26.3 Å²	26.3	56%	0.561	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	-70.3	-3	177.2	-69.5	-56.7	145.6	0	0	114.1	R319 D364 K436	R319-E366 PolarHBondContact NH2-O 3.27Å; D364-E366 PolarHBondContact O-N 3.03Å; D364-E366 VanDerWaalsContact O-N 3.14Å; D364-E366 WeakPolarHBondContact OD1-CB 3.34Å; D364-E366 PolarHBondContact OD1-N 3.28Å; E366-K436 VanDerWaalsContact C-NZ 3.32Å; E366-K436 WeakPolarHBondContact O-CE 3.24Å; E366-K436 PolarHBondContact O-NZ 2.96Å; E366-K436 IonicContact OE2-NZ 2.74Å; E366-K436 PolarHBondContact OE2-NZ 3.47Å
367	Y	95.9	Very high	96.5	Very high	62 Å²	62	26.3 Å²	26.3	24%	0.243	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-121.3	39.7	-178.7	-71.1	-92.9	0	0	0	111.9	H362 D364 P365 D369 V370 K371	H362-Y367 AromaticContact NE2-CD2 3.94Å; D364-Y367 HydrophobicContact CB-CD2 3.75Å; D364-Y367 HydrophobicContact CB-CE2 4.41Å; D364-Y367 PolarHBondContact O-N 3.04Å; D364-Y367 WeakPolarHBondContact OD2-CD2 3.47Å; D364-Y367 WeakPolarHBondContact OD2-CE2 3.36Å; P365-Y367 PolarHBondContact O-N 2.77Å; P365-Y367 VanDerWaalsContact O-N 3.1Å; Y367-D369 PolarHBondContact O-N 3.08Å; Y367-D369 VanDerWaalsContact O-N 3.17Å; Y367-V370 HydrophobicContact CD1-CB 4.47Å; Y367-V370 HydrophobicContact CD1-CG2 3.69Å; Y367-V370 HydrophobicContact CG-CG2 4.4Å; Y367-V370 PolarHBondContact O-N 3.4Å; Y367-K371 WeakPolarHBondContact O-CG 3.16Å; Y367-K371 PolarHBondContact O-N 3.35Å
368	S	96.8	Very high	96.5	Very high	22 Å²	22	26.4 Å²	26.4	15%	0.154	13%	0.126	C	C	.	.	H	α-helix	trans	-48.2	-38.8	173.4	56.3	0	0	0	0	113.2	K371 L372 D434	S368-K371 PolarHBondContact O-N 3.15Å; S368-L372 WeakPolarHBondContact O-CB 3.28Å; S368-L372 PolarHBondContact O-N 3Å; S368-L372 VanDerWaalsContact O-N 3.1Å; S368-D434 CarbonylContact C-O 3.48Å; S368-D434 PolarHBondContact OG-O 2.97Å
369	D	95	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-44.7	177.3	62.4	-42.5	0	0	0	111.7	R319 Y367 K371 L372 I373 D434 F435 Y440	R319-D369 IonicContact CZ-OD1 3.55Å; R319-D369 IonicContact CZ-OD2 3.28Å; R319-D369 IonicContact NE-OD1 3.58Å; R319-D369 IonicContact NE-OD2 3.52Å; R319-D369 PolarHBondContact NE-OD2 3.45Å; R319-D369 IonicContact NH2-OD1 2.79Å; R319-D369 PolarHBondContact NH2-OD1 3.42Å; R319-D369 IonicContact NH2-OD2 3.57Å; R319-D369 PolarHBondContact NH2-OD2 3.25Å; Y367-D369 PolarHBondContact O-N 3.08Å; Y367-D369 VanDerWaalsContact O-N 3.17Å; D369-K371 PolarHBondContact O-N 2.89Å; D369-L372 PolarHBondContact O-N 2.96Å; D369-I373 WeakPolarHBondContact O-CB 3.37Å; D369-I373 WeakPolarHBondContact O-CD1 3.47Å; D369-I373 WeakPolarHBondContact O-CG1 3.33Å; D369-I373 PolarHBondContact O-N 3.34Å; D369-D434 WeakPolarHBondContact CA-O 3.45Å; D369-D434 VanDerWaalsContact CB-O 3.27Å; D369-D434 WeakPolarHBondContact CB-O 3.43Å; D369-D434 PolarHBondContact N-O 3.38Å; D369-F435 HydrophobicContact CB-CD1 4.44Å; D369-Y440 HydrophobicContact CB-CE2 3.94Å; D369-Y440 PolarHBondContact OD2-OH 3.2Å
370	V	95.7	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-41.6	178	175.9	0	0	0	0	110.9	R319 V320 K323 H362 Y367 L372 I373 Q374	R319-V370 HydrophobicContact CB-CG2 3.82Å; V320-V370 HydrophobicContact CG1-CG1 4.49Å; V320-V370 HydrophobicContact CG2-CB 4.47Å; V320-V370 HydrophobicContact CG2-CG1 4.22Å; V320-V370 HydrophobicContact CG2-CG2 4.12Å; K323-V370 HydrophobicContact CG-CG1 4.14Å; H362-V370 HydrophobicContact CB-CG1 4.36Å; Y367-V370 HydrophobicContact CD1-CB 4.47Å; Y367-V370 HydrophobicContact CD1-CG2 3.69Å; Y367-V370 HydrophobicContact CG-CG2 4.4Å; Y367-V370 PolarHBondContact O-N 3.4Å; V370-L372 VanDerWaalsContact C-N 3.33Å; V370-L372 PolarHBondContact O-N 2.87Å; V370-I373 PolarHBondContact O-N 3.3Å; V370-Q374 HydrophobicContact CG1-CG 4.11Å; V370-Q374 WeakPolarHBondContact O-CB 3.43Å; V370-Q374 VanDerWaalsContact O-CG 3.24Å; V370-Q374 WeakPolarHBondContact O-CG 3.26Å; V370-Q374 PolarHBondContact O-N 3.19Å
371	K	97.8	Very high	96	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-44	176.9	-60.4	178.9	-164.3	-169.1	0	111.4	H362 W363 D364 Y367 S368 D369 T375 N412 S413 V419	H362-K371 HydrophobicContact CB-CG 4.49Å; H362-K371 WeakPolarHBondContact O-CD 3.23Å; H362-K371 WeakPolarHBondContact O-CE 3.28Å; H362-K371 WeakPolarHBondContact O-CG 3.5Å; W363-K371 PolarHBondContact O-NZ 3.14Å; D364-K371 WeakPolarHBondContact O-CE 3.36Å; D364-K371 PolarHBondContact O-NZ 2.95Å; Y367-K371 WeakPolarHBondContact O-CG 3.16Å; Y367-K371 PolarHBondContact O-N 3.35Å; S368-K371 PolarHBondContact O-N 3.15Å; D369-K371 PolarHBondContact O-N 2.89Å; K371-T375 WeakPolarHBondContact O-CB 3.45Å; K371-T375 PolarHBondContact O-N 3.21Å; K371-T375 PolarHBondContact O-OG1 2.93Å; K371-N412 HydrophobicContact CD-CB 4.35Å; K371-N412 WeakPolarHBondContact CD-O 3.49Å; K371-N412 PolarHBondContact NZ-O 2.86Å; K371-S413 WeakPolarHBondContact CD-OG 3.2Å; K371-V419 HydrophobicContact CB-CG2 3.98Å
372	L	96.7	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-45.3	176.1	-178.5	50.7	0	0	0	112.1	S368 D369 V370 T375 M376 G418 V419 Y422 V428 D434 F435	S368-L372 WeakPolarHBondContact O-CB 3.28Å; S368-L372 PolarHBondContact O-N 3Å; S368-L372 VanDerWaalsContact O-N 3.1Å; D369-L372 PolarHBondContact O-N 2.96Å; V370-L372 VanDerWaalsContact C-N 3.33Å; V370-L372 PolarHBondContact O-N 2.87Å; L372-T375 WeakPolarHBondContact O-CB 3.41Å; L372-T375 PolarHBondContact O-N 3.46Å; L372-M376 HydrophobicContact CD1-CE 3.7Å; L372-M376 HydrophobicContact CD1-CG 4.49Å; L372-M376 HydrophobicContact CD2-CE 4.32Å; L372-M376 HydrophobicContact CG-CE 3.83Å; L372-M376 HydrophobicContact CG-SD 4.47Å; L372-M376 WeakPolarHBondContact O-CG 3.19Å; L372-M376 PolarHBondContact O-N 3.04Å; L372-G418 WeakPolarHBondContact CD1-O 3.41Å; L372-V419 HydrophobicContact CB-CG2 4Å; L372-V419 HydrophobicContact CD1-CG2 4.33Å; L372-Y422 HydrophobicContact CD1-CG 4.35Å; L372-V428 HydrophobicContact CD1-CG2 4.49Å; L372-V428 HydrophobicContact CD2-CG2 4.33Å; L372-D434 HydrophobicContact CD2-CB 4.11Å; L372-F435 HydrophobicContact CB-CE1 4.41Å; L372-F435 HydrophobicContact CD2-CD1 4.11Å; L372-F435 HydrophobicContact CD2-CD2 4.44Å; L372-F435 HydrophobicContact CD2-CE1 3.55Å; L372-F435 HydrophobicContact CD2-CE2 3.92Å; L372-F435 HydrophobicContact CD2-CZ 3.45Å; L372-F435 VanDerWaalsContact CD2-CZ 3.45Å; L372-F435 HydrophobicContact CG-CE1 3.82Å; L372-F435 HydrophobicContact CG-CZ 3.91Å
373	I	94.8	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-42.8	178.4	-65.6	167.5	0	0	0	111.4	M316 V320 D369 V370 T375 M376 M377 F435 Y440 L444	M316-I373 HydrophobicContact CG-CD1 4.13Å; M316-I373 HydrophobicContact CG-CG2 4.32Å; V320-I373 HydrophobicContact CG1-CG2 4.5Å; V320-I373 HydrophobicContact CG2-CB 4.19Å; V320-I373 HydrophobicContact CG2-CD1 4.15Å; V320-I373 HydrophobicContact CG2-CG2 3.86Å; D369-I373 WeakPolarHBondContact O-CB 3.37Å; D369-I373 WeakPolarHBondContact O-CD1 3.47Å; D369-I373 WeakPolarHBondContact O-CG1 3.33Å; D369-I373 PolarHBondContact O-N 3.34Å; V370-I373 PolarHBondContact O-N 3.3Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 3.04Å; I373-M376 WeakPolarHBondContact O-CB 3.27Å; I373-M376 PolarHBondContact O-N 3.45Å; I373-M377 HydrophobicContact CG2-CE 3.37Å; I373-M377 HydrophobicContact CG2-CG 4.38Å; I373-M377 HydrophobicContact CG2-SD 4.04Å; I373-M377 WeakPolarHBondContact O-CB 3.38Å; I373-M377 VanDerWaalsContact O-CG 3.29Å; I373-M377 WeakPolarHBondContact O-CG 3.42Å; I373-M377 PolarHBondContact O-N 3.17Å; I373-F435 HydrophobicContact CG1-CE1 4.11Å; I373-Y440 HydrophobicContact CD1-CD1 4.29Å; I373-Y440 HydrophobicContact CD1-CD2 3.88Å; I373-Y440 HydrophobicContact CD1-CE1 4.19Å; I373-Y440 HydrophobicContact CD1-CE2 3.74Å; I373-Y440 HydrophobicContact CD1-CG 4.11Å; I373-L444 HydrophobicContact CB-CD2 4.5Å; I373-L444 HydrophobicContact CD1-CD2 4.49Å; I373-L444 HydrophobicContact CG1-CD1 4.23Å; I373-L444 HydrophobicContact CG1-CD2 3.93Å; I373-L444 HydrophobicContact CG2-CD2 4.01Å
374	Q	96.9	Very high	95.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-41	174.5	-75.5	178.8	-19.1	0	0	111.3	F302 V320 N325 M361 V370 M377 F378	F302-Q374 HydrophobicContact CB-CG 4.04Å; F302-Q374 HydrophobicContact CD2-CB 3.84Å; F302-Q374 HydrophobicContact CD2-CG 3.64Å; F302-Q374 HydrophobicContact CE2-CB 4.12Å; F302-Q374 HydrophobicContact CE2-CG 4.37Å; F302-Q374 HydrophobicContact CG-CB 4.22Å; F302-Q374 HydrophobicContact CG-CG 4Å; V320-Q374 HydrophobicContact CG1-CG 4.26Å; N325-Q374 PolarHBondContact OD1-NE2 3.42Å; M361-Q374 HydrophobicContact SD-CB 3.72Å; V370-Q374 HydrophobicContact CG1-CG 4.11Å; V370-Q374 WeakPolarHBondContact O-CB 3.43Å; V370-Q374 VanDerWaalsContact O-CG 3.24Å; V370-Q374 WeakPolarHBondContact O-CG 3.26Å; V370-Q374 PolarHBondContact O-N 3.19Å; Q374-M377 PolarHBondContact O-N 2.69Å; Q374-F378 WeakPolarHBondContact O-CB 3.3Å; Q374-F378 PolarHBondContact O-N 3.12Å
375	T	97.6	Very high	95.6	Very high	2 Å²	2	24 Å²	24	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-46.4	174.8	-57.6	0	0	0	0	111.2	K371 L372 I373 F378 V379 V419 Y422 L423	K371-T375 WeakPolarHBondContact O-CB 3.45Å; K371-T375 PolarHBondContact O-N 3.21Å; K371-T375 PolarHBondContact O-OG1 2.93Å; L372-T375 WeakPolarHBondContact O-CB 3.41Å; L372-T375 PolarHBondContact O-N 3.46Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 3.04Å; T375-F378 PolarHBondContact O-N 2.75Å; T375-V379 HydrophobicContact CG2-CG2 4.46Å; T375-V379 WeakPolarHBondContact O-CG2 3.34Å; T375-V379 PolarHBondContact O-N 2.84Å; T375-V419 HydrophobicContact CG2-CG1 4.2Å; T375-V419 WeakPolarHBondContact OG1-CG1 3.41Å; T375-Y422 HydrophobicContact CG2-CD1 3.97Å; T375-Y422 HydrophobicContact CG2-CE1 4.34Å; T375-L423 HydrophobicContact CG2-CD1 4.04Å; T375-L423 HydrophobicContact CG2-CD2 3.82Å; T375-L423 HydrophobicContact CG2-CG 3.88Å
376	M	95.5	Very high	95.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-46.6	177.1	-70	175.3	173.8	0	0	112.2	L372 I373 F378 V379 S380 Y422 V428 F435 L444 F447 I460	L372-M376 HydrophobicContact CD1-CE 3.7Å; L372-M376 HydrophobicContact CD1-CG 4.49Å; L372-M376 HydrophobicContact CD2-CE 4.32Å; L372-M376 HydrophobicContact CG-CE 3.83Å; L372-M376 HydrophobicContact CG-SD 4.47Å; L372-M376 WeakPolarHBondContact O-CG 3.19Å; L372-M376 PolarHBondContact O-N 3.04Å; I373-M376 WeakPolarHBondContact O-CB 3.27Å; I373-M376 PolarHBondContact O-N 3.45Å; M376-F378 VanDerWaalsContact C-N 3.35Å; M376-F378 PolarHBondContact O-N 2.81Å; M376-V379 PolarHBondContact O-N 3.33Å; M376-S380 WeakPolarHBondContact O-CB 3.28Å; M376-S380 PolarHBondContact O-N 3.32Å; M376-Y422 HydrophobicContact CB-CE1 4.39Å; M376-Y422 HydrophobicContact CE-CD2 3.82Å; M376-Y422 HydrophobicContact CE-CE2 3.98Å; M376-Y422 HydrophobicContact CE-CG 4.38Å; M376-Y422 HydrophobicContact CG-CD1 4.27Å; M376-Y422 HydrophobicContact CG-CD2 4.31Å; M376-Y422 HydrophobicContact CG-CE1 3.81Å; M376-Y422 HydrophobicContact CG-CE2 3.89Å; M376-Y422 HydrophobicContact CG-CG 4.5Å; M376-V428 HydrophobicContact CE-CG2 3.57Å; M376-F435 HydrophobicContact CE-CE1 4.45Å; M376-F435 HydrophobicContact CE-CZ 3.65Å; M376-F435 HydrophobicContact SD-CZ 4.2Å; M376-L444 HydrophobicContact SD-CD1 4.14Å; M376-L444 HydrophobicContact SD-CD2 4.4Å; M376-F447 HydrophobicContact CB-CB 4.3Å; M376-I460 HydrophobicContact CE-CB 3.96Å; M376-I460 HydrophobicContact CE-CD1 4.04Å; M376-I460 HydrophobicContact CE-CG2 3.74Å; M376-I460 HydrophobicContact SD-CD1 4.3Å; M376-I460 HydrophobicContact SD-CG2 3.78Å
377	M	95	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.4	-73.6	174.8	-179.3	0	0	111.4	V305 A306 M316 V320 I373 Q374 S380 E381 F447	V305-M377 HydrophobicContact CB-CB 4.37Å; V305-M377 HydrophobicContact CB-CG 4.37Å; V305-M377 HydrophobicContact CB-SD 4.22Å; V305-M377 HydrophobicContact CG1-CB 3.83Å; V305-M377 HydrophobicContact CG1-CG 3.74Å; V305-M377 HydrophobicContact CG1-SD 4.17Å; A306-M377 HydrophobicContact CB-CE 3.61Å; A306-M377 HydrophobicContact CB-SD 4.13Å; M316-M377 HydrophobicContact CE-CE 4.13Å; M316-M377 HydrophobicContact SD-CE 3.66Å; V320-M377 HydrophobicContact CG1-CE 4.19Å; V320-M377 HydrophobicContact CG1-SD 4.12Å; I373-M377 HydrophobicContact CG2-CE 3.37Å; I373-M377 HydrophobicContact CG2-CG 4.38Å; I373-M377 HydrophobicContact CG2-SD 4.04Å; I373-M377 WeakPolarHBondContact O-CB 3.38Å; I373-M377 VanDerWaalsContact O-CG 3.29Å; I373-M377 WeakPolarHBondContact O-CG 3.42Å; I373-M377 PolarHBondContact O-N 3.17Å; Q374-M377 PolarHBondContact O-N 2.69Å; M377-S380 PolarHBondContact O-N 3.39Å; M377-E381 PolarHBondContact O-N 3.04Å; M377-F447 HydrophobicContact CE-CE2 3.83Å; M377-F447 HydrophobicContact CE-CZ 3.72Å; M377-F447 HydrophobicContact CG-CD1 4.47Å; M377-F447 HydrophobicContact CG-CD2 4.44Å; M377-F447 HydrophobicContact CG-CE1 3.84Å; M377-F447 HydrophobicContact CG-CE2 3.81Å; M377-F447 HydrophobicContact CG-CZ 3.46Å; M377-F447 VanDerWaalsContact CG-CZ 3.46Å; M377-F447 HydrophobicContact SD-CZ 4.41Å
378	F	97.6	Very high	95.1	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-46.9	-178.4	-169.2	-133.3	0	0	0	112	V300 F302 A357 A359 M361 Q374 T375 M376 S380 E381 V382 L407	V300-F378 HydrophobicContact CB-CD2 3.83Å; V300-F378 HydrophobicContact CB-CE2 4.02Å; V300-F378 HydrophobicContact CG1-CD2 4.05Å; V300-F378 HydrophobicContact CG2-CD2 3.89Å; V300-F378 HydrophobicContact CG2-CE2 3.87Å; F302-F378 HydrophobicContact CE1-CB 3.66Å; F302-F378 AromaticContact CE1-CD2 3.86Å; F302-F378 HydrophobicContact CE1-CD2 3.86Å; F302-F378 AromaticContact CE1-CG 3.98Å; F302-F378 HydrophobicContact CE1-CG 3.98Å; F302-F378 HydrophobicContact CZ-CB 4.09Å; F302-F378 HydrophobicContact CZ-CD2 4.32Å; F302-F378 HydrophobicContact CZ-CG 4.22Å; A357-F378 HydrophobicContact CB-CE1 3.83Å; A357-F378 HydrophobicContact CB-CZ 3.76Å; A359-F378 HydrophobicContact CB-CD1 3.72Å; A359-F378 HydrophobicContact CB-CE1 3.49Å; A359-F378 VanDerWaalsContact CB-CE1 3.49Å; A359-F378 HydrophobicContact CB-CG 4.37Å; A359-F378 HydrophobicContact CB-CZ 3.98Å; M361-F378 HydrophobicContact CE-CB 4.46Å; M361-F378 HydrophobicContact CE-CD1 4.33Å; Q374-F378 WeakPolarHBondContact O-CB 3.3Å; Q374-F378 PolarHBondContact O-N 3.12Å; T375-F378 PolarHBondContact O-N 2.75Å; M376-F378 VanDerWaalsContact C-N 3.35Å; M376-F378 PolarHBondContact O-N 2.81Å; F378-S380 VanDerWaalsContact C-N 3.31Å; F378-S380 PolarHBondContact O-N 3.21Å; F378-E381 PolarHBondContact O-N 3.2Å; F378-V382 HydrophobicContact CD2-CG2 4.36Å; F378-V382 HydrophobicContact CE1-CG2 4.44Å; F378-V382 HydrophobicContact CE2-CG2 4.16Å; F378-V382 HydrophobicContact CZ-CG2 4.22Å; F378-V382 VanDerWaalsContact O-CG2 3.27Å; F378-V382 WeakPolarHBondContact O-CG2 3.4Å; F378-V382 PolarHBondContact O-N 2.85Å; F378-L407 HydrophobicContact CD1-CD1 4.03Å; F378-L407 HydrophobicContact CE1-CD1 3.53Å
379	V	96.4	Very high	94.7	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-40.2	177.6	172.6	0	0	0	0	111.3	T375 M376 V382 K383 Y422 L423 H462 F464	T375-V379 HydrophobicContact CG2-CG2 4.46Å; T375-V379 WeakPolarHBondContact O-CG2 3.34Å; T375-V379 PolarHBondContact O-N 2.84Å; M376-V379 PolarHBondContact O-N 3.33Å; V379-V382 PolarHBondContact O-N 2.66Å; V379-K383 PolarHBondContact O-N 3.1Å; V379-Y422 HydrophobicContact CB-CE1 4.22Å; V379-Y422 HydrophobicContact CG1-CE1 4.45Å; V379-Y422 HydrophobicContact CG2-CE1 4.15Å; V379-L423 HydrophobicContact CG2-CD2 3.65Å; V379-H462 HydrophobicContact CG1-CB 3.7Å; V379-F464 HydrophobicContact CG1-CD2 3.54Å; V379-F464 HydrophobicContact CG1-CE2 3.7Å
380	S	94.5	Very high	94.2	Very high	19 Å²	19	19.9 Å²	19.9	13%	0.133	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-44.7	174.9	-174.4	0	0	0	0	112.1	M376 M377 F378 K383 N384	M376-S380 WeakPolarHBondContact O-CB 3.28Å; M376-S380 PolarHBondContact O-N 3.32Å; M377-S380 PolarHBondContact O-N 3.39Å; F378-S380 VanDerWaalsContact C-N 3.31Å; F378-S380 PolarHBondContact O-N 3.21Å; S380-K383 WeakPolarHBondContact O-CB 3.35Å; S380-K383 PolarHBondContact O-N 3.23Å; S380-N384 PolarHBondContact O-N 2.88Å
381	E	95.7	Very high	93.7	Very high	47 Å²	47	24.4 Å²	24.4	22%	0.22	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-36.8	177.3	-75.4	-56.4	118.5	0	0	112.7	V300 V305 M377 F378 K383 N384 I385	V300-E381 HydrophobicContact CG1-CB 3.95Å; V300-E381 HydrophobicContact CG1-CG 3.86Å; V300-E381 HydrophobicContact CG2-CB 3.74Å; V300-E381 HydrophobicContact CG2-CG 4.38Å; V305-E381 HydrophobicContact CG1-CG 4.4Å; V305-E381 HydrophobicContact CG2-CG 3.9Å; M377-E381 PolarHBondContact O-N 3.04Å; F378-E381 PolarHBondContact O-N 3.2Å; E381-K383 VanDerWaalsContact C-N 3.28Å; E381-K383 PolarHBondContact O-N 3.15Å; E381-N384 WeakPolarHBondContact O-CB 3.34Å; E381-N384 PolarHBondContact O-N 3.23Å; E381-N384 VanDerWaalsContact O-N 3.16Å; E381-N384 PolarHBondContact OE1-ND2 2.79Å; E381-I385 VanDerWaalsContact O-CG1 3.28Å; E381-I385 WeakPolarHBondContact O-CG1 3.39Å; E381-I385 PolarHBondContact O-N 3.05Å
382	V	96.3	Very high	92.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-40.7	172.2	170.1	0	0	0	0	110.9	I355 A357 F378 V379 I385 L386 L405 F464	I355-V382 HydrophobicContact CD1-CG1 3.91Å; A357-V382 HydrophobicContact CB-CG2 4.05Å; F378-V382 HydrophobicContact CD2-CG2 4.36Å; F378-V382 HydrophobicContact CE1-CG2 4.44Å; F378-V382 HydrophobicContact CE2-CG2 4.16Å; F378-V382 HydrophobicContact CZ-CG2 4.22Å; F378-V382 VanDerWaalsContact O-CG2 3.27Å; F378-V382 WeakPolarHBondContact O-CG2 3.4Å; F378-V382 PolarHBondContact O-N 2.85Å; V379-V382 PolarHBondContact O-N 2.66Å; V382-I385 PolarHBondContact O-N 3.43Å; V382-L386 WeakPolarHBondContact O-CG 3.26Å; V382-L386 PolarHBondContact O-N 2.89Å; V382-L386 VanDerWaalsContact O-N 3.07Å; V382-L405 HydrophobicContact CG1-CD1 3.96Å; V382-L405 HydrophobicContact CG1-CD2 3.97Å; V382-F464 HydrophobicContact CG1-CE1 4.48Å; V382-F464 HydrophobicContact CG1-CE2 4.47Å; V382-F464 HydrophobicContact CG1-CZ 3.89Å
383	K	94	Very high	91.8	Very high	68 Å²	68	34 Å²	34	30%	0.296	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-46.9	172.6	-173.6	-168.1	176.1	-148.7	0	111.8	V379 S380 E381 I385 L386 E387 F464	V379-K383 PolarHBondContact O-N 3.1Å; S380-K383 WeakPolarHBondContact O-CB 3.35Å; S380-K383 PolarHBondContact O-N 3.23Å; E381-K383 VanDerWaalsContact C-N 3.28Å; E381-K383 PolarHBondContact O-N 3.15Å; K383-I385 VanDerWaalsContact C-N 3.26Å; K383-I385 PolarHBondContact O-N 3.05Å; K383-L386 WeakPolarHBondContact O-CB 3.22Å; K383-L386 PolarHBondContact O-N 2.98Å; K383-L386 VanDerWaalsContact O-N 3.09Å; K383-E387 WeakPolarHBondContact CE-OE1 3.42Å; K383-E387 IonicContact NZ-OE1 3.99Å; K383-E387 PolarHBondContact NZ-OE1 3.46Å; K383-E387 PolarHBondContact O-N 3.16Å; K383-F464 HydrophobicContact CB-CE2 4.01Å; K383-F464 HydrophobicContact CB-CZ 4Å
384	N	93.3	Very high	90.7	Very high	47 Å²	47	37.2 Å²	37.2	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-60.1	-36.5	177.8	-69	-21.8	0	0	0	112.2	S380 E381 K388	S380-N384 PolarHBondContact O-N 2.88Å; E381-N384 WeakPolarHBondContact O-CB 3.34Å; E381-N384 PolarHBondContact O-N 3.23Å; E381-N384 VanDerWaalsContact O-N 3.16Å; E381-N384 PolarHBondContact OE1-ND2 2.79Å; N384-K388 WeakPolarHBondContact O-CG 3.45Å; N384-K388 PolarHBondContact O-N 2.87Å
385	I	94.7	Very high	89.3	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-45	174.3	-70.4	162	0	0	0	110.7	H298 A329 V331 I355 E381 V382 K383 K388 A389	H298-I385 HydrophobicContact CB-CD1 3.5Å; H298-I385 VanDerWaalsContact CB-CD1 3.5Å; H298-I385 HydrophobicContact CB-CG1 4.15Å; H298-I385 VanDerWaalsContact CD2-CG2 3.41Å; H298-I385 WeakPolarHBondContact CD2-CG2 3.39Å; H298-I385 WeakPolarHBondContact NE2-CG2 3.44Å; A329-I385 HydrophobicContact CB-CD1 4.06Å; V331-I385 HydrophobicContact CG2-CG2 3.89Å; I355-I385 HydrophobicContact CD1-CB 4.31Å; I355-I385 HydrophobicContact CD1-CG2 3.74Å; E381-I385 VanDerWaalsContact O-CG1 3.28Å; E381-I385 WeakPolarHBondContact O-CG1 3.39Å; E381-I385 PolarHBondContact O-N 3.05Å; V382-I385 PolarHBondContact O-N 3.43Å; K383-I385 VanDerWaalsContact C-N 3.26Å; K383-I385 PolarHBondContact O-N 3.05Å; I385-K388 PolarHBondContact O-N 2.93Å; I385-A389 WeakPolarHBondContact O-CB 3.12Å; I385-A389 PolarHBondContact O-N 2.87Å
386	L	92.4	Very high	87.9	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-42.9	178.4	-72.6	180	0	0	0	112.5	I355 V382 K383 K388 A389 S390 P400 I403 F464	I355-L386 HydrophobicContact CB-CD2 3.84Å; I355-L386 HydrophobicContact CD1-CD2 3.9Å; I355-L386 HydrophobicContact CD1-CG 4.07Å; I355-L386 HydrophobicContact CG2-CD1 4.07Å; I355-L386 HydrophobicContact CG2-CD2 3.64Å; I355-L386 HydrophobicContact CG2-CG 4.16Å; V382-L386 WeakPolarHBondContact O-CG 3.26Å; V382-L386 PolarHBondContact O-N 2.89Å; V382-L386 VanDerWaalsContact O-N 3.07Å; K383-L386 WeakPolarHBondContact O-CB 3.22Å; K383-L386 PolarHBondContact O-N 2.98Å; K383-L386 VanDerWaalsContact O-N 3.09Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 2.91Å; L386-A389 WeakPolarHBondContact O-CB 3.42Å; L386-A389 PolarHBondContact O-N 3.3Å; L386-S390 PolarHBondContact O-N 2.85Å; L386-S390 PolarHBondContact O-OG 2.81Å; L386-P400 HydrophobicContact CB-CB 4Å; L386-I403 HydrophobicContact CD2-CB 3.71Å; L386-I403 HydrophobicContact CD2-CD1 3.94Å; L386-I403 HydrophobicContact CD2-CG1 4.41Å; L386-I403 HydrophobicContact CD2-CG2 3.53Å; L386-F464 HydrophobicContact CD1-CE1 3.53Å; L386-F464 HydrophobicContact CD1-CZ 3.9Å
387	E	91.3	Very high	86.7	Confident	79 Å²	79	42.1 Å²	42.1	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-45.7	175.4	-73.5	175	-177.8	0	0	111.4	K383 A389 S390 S391 P400	K383-E387 WeakPolarHBondContact CE-OE1 3.42Å; K383-E387 IonicContact NZ-OE1 3.99Å; K383-E387 PolarHBondContact NZ-OE1 3.46Å; K383-E387 PolarHBondContact O-N 3.16Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 2.67Å; E387-S390 PolarHBondContact O-N 2.9Å; E387-S391 WeakPolarHBondContact O-CB 3.39Å; E387-S391 PolarHBondContact O-N 3.14Å; E387-S391 PolarHBondContact O-OG 3.06Å; E387-P400 HydrophobicContact CG-CB 4.06Å; E387-P400 HydrophobicContact CG-CG 3.95Å
388	K	89.8	Confident	85.4	Confident	122 Å²	122	46.6 Å²	46.6	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-33.6	174.6	-69.4	169.9	-174.5	169.3	0	112.7	N384 I385 L386 S391	N384-K388 WeakPolarHBondContact O-CG 3.45Å; N384-K388 PolarHBondContact O-N 2.87Å; I385-K388 PolarHBondContact O-N 2.93Å; L386-K388 VanDerWaalsContact C-N 3.32Å; L386-K388 PolarHBondContact O-N 2.91Å; K388-S391 PolarHBondContact O-OG 3.08Å
389	A	87.9	Confident	84.4	Confident	1 Å²	1	50 Å²	50	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-43.2	178.3	0	0	0	0	0	111.2	V331 I385 L386 E387 I403	V331-A389 HydrophobicContact CG1-CB 4.49Å; V331-A389 HydrophobicContact CG2-CB 4.45Å; I385-A389 WeakPolarHBondContact O-CB 3.12Å; I385-A389 PolarHBondContact O-N 2.87Å; L386-A389 WeakPolarHBondContact O-CB 3.42Å; L386-A389 PolarHBondContact O-N 3.3Å; E387-A389 VanDerWaalsContact C-N 3.33Å; E387-A389 PolarHBondContact O-N 2.67Å; A389-I403 HydrophobicContact CB-CD1 4.42Å
390	S	85.7	Confident	83.3	Confident	7 Å²	7	51 Å²	51	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-30.5	178.8	-63.6	0	0	0	0	113.3	L386 E387 R392 S395 T397 P400 I403	L386-S390 PolarHBondContact O-N 2.85Å; L386-S390 PolarHBondContact O-OG 2.81Å; E387-S390 PolarHBondContact O-N 2.9Å; S390-R392 PolarHBondContact O-N 2.97Å; S390-S395 WeakPolarHBondContact CA-OG 3.27Å; S390-S395 WeakPolarHBondContact O-CB 3.49Å; S390-S395 PolarHBondContact O-OG 3.01Å; S390-T397 WeakPolarHBondContact CB-O 3.42Å; S390-P400 WeakPolarHBondContact OG-CA 3.25Å; S390-I403 WeakPolarHBondContact OG-CD1 3.36Å
391	S	85.2	Confident	82.4	Confident	94 Å²	94	54.4 Å²	54.4	66%	0.657	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	1.3	179	73.6	0	0	0	0	114.6	E387 K388	E387-S391 WeakPolarHBondContact O-CB 3.39Å; E387-S391 PolarHBondContact O-N 3.14Å; E387-S391 PolarHBondContact O-OG 3.06Å; K388-S391 PolarHBondContact O-OG 3.08Å
392	R	78.5	Confident	81.8	Confident	74 Å²	74	53.5 Å²	53.5	28%	0.279	32%	0.323	S	S	.	.	S	Bend	trans	-77.7	145.9	-177.2	-84.2	-175.9	-68.8	-176.8	-3.6	112.9	Q296 S390 G394 S395	Q296-R392 VanDerWaalsContact CG-NH2 3.33Å; S390-R392 PolarHBondContact O-N 2.97Å; R392-G394 PolarHBondContact O-N 3.29Å; R392-S395 VanDerWaalsContact O-CB 3.28Å; R392-S395 WeakPolarHBondContact O-CB 3.37Å; R392-S395 PolarHBondContact O-N 3.05Å
393	P	74.6	Confident	81.5	Confident	137 Å²	137	53.7 Å²	53.7	89%	0.89	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	122.8	168.2	-21.1	31.9	0	0	0	110.5
394	G	71.3	Confident	81.6	Confident	68 Å²	68	50.5 Å²	50.5	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	8.7	-176.3	0	0	0	0	0	115.3	R392	R392-G394 PolarHBondContact O-N 3.29Å
395	S	68.9	Low	81.8	Confident	31 Å²	31	48.3 Å²	48.3	22%	0.217	30%	0.299	C	S	.	.			trans	-59.9	138	166	179.1	0	0	0	0	110.2	S390 R392 T397	S390-S395 WeakPolarHBondContact CA-OG 3.27Å; S390-S395 WeakPolarHBondContact O-CB 3.49Å; S390-S395 PolarHBondContact O-OG 3.01Å; R392-S395 VanDerWaalsContact O-CB 3.28Å; R392-S395 WeakPolarHBondContact O-CB 3.37Å; R392-S395 PolarHBondContact O-N 3.05Å; S395-T397 PolarHBondContact O-N 2.63Å; S395-T397 PolarHBondContact OG-N 2.88Å; S395-T397 PolarHBondContact OG-O 2.82Å
396	P	68.2	Low	81.9	Confident	41 Å²	41	48.1 Å²	48.1	27%	0.266	30%	0.298	S	S	.	.	S	Bend	trans	-69.1	-18.8	177.3	30.3	-38	0	0	0	113.3	K351 L353	K351-P396 HydrophobicContact CB-CB 4.22Å; K351-P396 HydrophobicContact CB-CG 4.16Å; K351-P396 WeakPolarHBondContact O-CB 3.26Å; K351-P396 WeakPolarHBondContact O-CG 3.46Å; L353-P396 HydrophobicContact CD1-CG 4.21Å; L353-P396 HydrophobicContact CG-CG 4.1Å
397	T	69.3	Low	82.2	Confident	33 Å²	33	48.3 Å²	48.3	20%	0.202	30%	0.299	C	S	.	.			trans	-144.9	142.6	-173.9	-179.4	0	0	0	0	110.9	S390 S395 D399 S402 I403	S390-T397 WeakPolarHBondContact CB-O 3.42Å; S395-T397 PolarHBondContact O-N 2.63Å; S395-T397 PolarHBondContact OG-N 2.88Å; S395-T397 PolarHBondContact OG-O 2.82Å; T397-D399 PolarHBondContact OG1-N 2.85Å; T397-D399 PolarHBondContact OG1-O 3.21Å; T397-S402 VanDerWaalsContact CB-OG 3.23Å; T397-S402 WeakPolarHBondContact CB-OG 3.36Å; T397-S402 WeakPolarHBondContact CG2-OG 3.2Å; T397-S402 PolarHBondContact OG1-OG 3.11Å; T397-I403 HydrophobicContact CG2-CD1 4.39Å; T397-I403 HydrophobicContact CG2-CG1 4.03Å
398	A	69.1	Low	82.6	Confident	95 Å²	95	44.5 Å²	44.5	79%	0.785	28%	0.281	S	S	*	.	S	Bend	trans	-88	-13.8	169.5	0	0	0	0	0	112.4	P400	A398-P400 WeakPolarHBondContact O-CD 3.08Å
399	D	76.1	Confident	83	Confident	75 Å²	75	38.8 Å²	38.8	40%	0.401	26%	0.256	S	S	.	.			trans	-92.2	114.8	178.6	-176.5	7.4	0	0	0	110.3	T397 N401 S402	T397-D399 PolarHBondContact OG1-N 2.85Å; T397-D399 PolarHBondContact OG1-O 3.21Å; D399-N401 PolarHBondContact O-N 3.19Å; D399-N401 WeakPolarHBondContact OD1-CB 3.5Å; D399-N401 PolarHBondContact OD1-N 3.11Å; D399-N401 PolarHBondContact OD1-ND2 3.09Å; D399-S402 PolarHBondContact O-N 3.04Å; D399-S402 PolarHBondContact O-OG 2.96Å
400	P	73	Confident	83.5	Confident	25 Å²	25	38.8 Å²	38.8	16%	0.162	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-61.6	-28.3	174.4	27.2	-36	0	0	0	113.1	L386 E387 S390 A398 S402 I403	L386-P400 HydrophobicContact CB-CB 4Å; E387-P400 HydrophobicContact CG-CB 4.06Å; E387-P400 HydrophobicContact CG-CG 3.95Å; S390-P400 WeakPolarHBondContact OG-CA 3.25Å; A398-P400 WeakPolarHBondContact O-CD 3.08Å; P400-S402 PolarHBondContact O-N 3.21Å; P400-I403 PolarHBondContact O-N 2.99Å
401	N	76.1	Confident	84.2	Confident	89 Å²	89	38.5 Å²	38.5	48%	0.476	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-73.1	-12.5	-179.1	-57.8	-63.9	0	0	0	112.9	D399 I403 H497	D399-N401 PolarHBondContact O-N 3.19Å; D399-N401 WeakPolarHBondContact OD1-CB 3.5Å; D399-N401 PolarHBondContact OD1-N 3.11Å; D399-N401 PolarHBondContact OD1-ND2 3.09Å; N401-I403 VanDerWaalsContact C-N 3.28Å; N401-H497 PolarHBondContact O-CE1 2.91Å; N401-H497 PolarHBondContact O-NE2 2.82Å
402	S	82.4	Confident	84.8	Confident	29 Å²	29	35.2 Å²	35.2	20%	0.203	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-84.2	-3.1	175.4	77.3	0	0	0	0	113.1	T397 D399 P400 P404	T397-S402 VanDerWaalsContact CB-OG 3.23Å; T397-S402 WeakPolarHBondContact CB-OG 3.36Å; T397-S402 WeakPolarHBondContact CG2-OG 3.2Å; T397-S402 PolarHBondContact OG1-OG 3.11Å; D399-S402 PolarHBondContact O-N 3.04Å; D399-S402 PolarHBondContact O-OG 2.96Å; P400-S402 PolarHBondContact O-N 3.21Å; S402-P404 WeakPolarHBondContact O-CD 3.35Å
403	I	90.9	Very high	85.7	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.026	22%	0.219	C	C	.	.	S	Bend	trans	-91.8	115.8	174.1	-58.1	176.8	0	0	0	108.2	L353 I355 L386 A389 S390 T397 P400 N401	L353-I403 HydrophobicContact CB-CD1 4.29Å; L353-I403 HydrophobicContact CB-CG1 4.27Å; L353-I403 HydrophobicContact CB-CG2 3.94Å; L353-I403 HydrophobicContact CD1-CD1 3.83Å; I355-I403 HydrophobicContact CG2-CG2 4.44Å; L386-I403 HydrophobicContact CD2-CB 3.71Å; L386-I403 HydrophobicContact CD2-CD1 3.94Å; L386-I403 HydrophobicContact CD2-CG1 4.41Å; L386-I403 HydrophobicContact CD2-CG2 3.53Å; A389-I403 HydrophobicContact CB-CD1 4.42Å; S390-I403 WeakPolarHBondContact OG-CD1 3.36Å; T397-I403 HydrophobicContact CG2-CD1 4.39Å; T397-I403 HydrophobicContact CG2-CG1 4.03Å; P400-I403 PolarHBondContact O-N 2.99Å; N401-I403 VanDerWaalsContact C-N 3.28Å
404	P	94.5	Very high	86.8	Confident	1 Å²	1	29 Å²	29	1%	0.006	19%	0.194	C	C	.	.			trans	-63.7	141	177.7	-13.3	25.1	0	0	0	112	L353 L354 I355 S402 H497 M498 L538	L353-P404 VanDerWaalsContact O-CD 3.3Å; L353-P404 WeakPolarHBondContact O-CD 3.43Å; L354-P404 HydrophobicContact CD1-CB 4.03Å; I355-P404 WeakPolarHBondContact CG2-O 3.27Å; I355-P404 PolarHBondContact N-O 3.22Å; S402-P404 WeakPolarHBondContact O-CD 3.35Å; P404-H497 HydrophobicContact CB-CB 3.74Å; P404-H497 HydrophobicContact CG-CB 3.74Å; P404-M498 HydrophobicContact CB-CE 3.81Å; P404-M498 HydrophobicContact CB-SD 4.44Å; P404-L538 HydrophobicContact CB-CD1 4.11Å; P404-L538 HydrophobicContact CG-CD1 3.55Å
405	L	97.2	Very high	88.1	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.3	173.3	169.2	62.9	0	0	0	111.3	I355 A357 V382 L407 F464 L466 Y493 S494 M498	I355-L405 HydrophobicContact CG1-CD1 4.49Å; I355-L405 HydrophobicContact CG2-CB 3.75Å; I355-L405 HydrophobicContact CG2-CD1 3.66Å; I355-L405 HydrophobicContact CG2-CG 4.29Å; I355-L405 WeakPolarHBondContact O-CA 3.48Å; A357-L405 HydrophobicContact CB-CD1 3.91Å; V382-L405 HydrophobicContact CG1-CD1 3.96Å; V382-L405 HydrophobicContact CG1-CD2 3.97Å; L405-L407 HydrophobicContact CD1-CB 4.32Å; L405-L407 HydrophobicContact CG-CB 4.36Å; L405-F464 HydrophobicContact CB-CD1 4.28Å; L405-F464 HydrophobicContact CB-CE1 4.38Å; L405-F464 HydrophobicContact CD2-CD1 3.73Å; L405-F464 HydrophobicContact CD2-CD2 4.39Å; L405-F464 HydrophobicContact CD2-CE1 3.86Å; L405-F464 HydrophobicContact CD2-CE2 4.5Å; L405-F464 HydrophobicContact CD2-CG 4.01Å; L405-F464 HydrophobicContact CD2-CZ 4.25Å; L405-L466 HydrophobicContact CD2-CD1 4.47Å; L405-L466 HydrophobicContact CD2-CD2 4.09Å; L405-L466 HydrophobicContact CG-CD2 4.38Å; L405-Y493 CarbonylContact O-C 3.51Å; L405-Y493 WeakPolarHBondContact O-CA 3.47Å; L405-S494 PolarHBondContact N-OG 3.42Å; L405-S494 PolarHBondContact O-N 2.94Å; L405-S494 PolarHBondContact O-OG 3.33Å; L405-M498 WeakPolarHBondContact O-CE 3.21Å
406	V	98.7	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.2	160.1	173.2	0	0	0	0	107.9	F189 V191 L354 I355 V356 A357 I491 F492 M498 L536	F189-V406 HydrophobicContact CE2-CG2 4.47Å; V191-V406 HydrophobicContact CG1-CG1 3.79Å; V191-V406 HydrophobicContact CG2-CG1 4.12Å; L354-V406 HydrophobicContact CD1-CG2 4.06Å; I355-V406 PolarHBondContact O-N 2.94Å; V356-V406 CarbonylContact C-O 3.48Å; V356-V406 WeakPolarHBondContact CA-O 3.27Å; A357-V406 PolarHBondContact N-O 3.32Å; V406-I491 HydrophobicContact CG1-CG2 4.36Å; V406-F492 CarbonylContact C-O 3.55Å; V406-F492 WeakPolarHBondContact CA-O 3.44Å; V406-M498 HydrophobicContact CG2-CE 3.83Å; V406-M498 HydrophobicContact CG2-SD 4.03Å; V406-L536 HydrophobicContact CG2-CD1 3.64Å
407	L	98.8	Very high	90.7	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	106.9	-179.4	167.8	63.9	0	0	0	109.3	A357 F378 L405 L423 L466 I491 F492	A357-L407 HydrophobicContact CB-CD1 3.82Å; A357-L407 WeakPolarHBondContact O-CA 3.43Å; F378-L407 HydrophobicContact CD1-CD1 4.03Å; F378-L407 HydrophobicContact CE1-CD1 3.53Å; L405-L407 HydrophobicContact CD1-CB 4.32Å; L405-L407 HydrophobicContact CG-CB 4.36Å; L407-L423 HydrophobicContact CD2-CD1 4.29Å; L407-L423 HydrophobicContact CD2-CD2 3.87Å; L407-L466 HydrophobicContact CD2-CD1 4.44Å; L407-I491 CarbonylContact O-C 3.56Å; L407-I491 WeakPolarHBondContact O-CA 3.13Å; L407-F492 HydrophobicContact CB-CB 4.08Å; L407-F492 HydrophobicContact CD2-CB 4.44Å; L407-F492 HydrophobicContact CG-CB 4.48Å; L407-F492 PolarHBondContact N-O 3.23Å; L407-F492 PolarHBondContact O-N 3.17Å
408	C	98.9	Very high	92.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.9	167.6	-65.8	0	0	0	0	109	V191 C193 S237 A357 N358 A359 Y490	V191-C408 VanDerWaalsContact CG1-SG 3.54Å; C193-C408 HydrophobicContact CB-CB 3.94Å; S237-C408 VanDerWaalsContact CB-CB 3.42Å; A357-C408 PolarHBondContact O-N 3.21Å; N358-C408 WeakPolarHBondContact CA-O 3.01Å; A359-C408 PolarHBondContact N-O 3.46Å; C408-Y490 CarbonylContact C-O 3.56Å; C408-Y490 WeakPolarHBondContact CA-O 3.22Å
409	A	98.6	Very high	93.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	144.6	173.4	0	0	0	0	0	112.7	A359 L411 D489 Y490	A359-A409 HydrophobicContact CB-CB 4.46Å; A359-A409 VanDerWaalsContact O-CA 3.28Å; A359-A409 WeakPolarHBondContact O-CA 3.29Å; A409-L411 HydrophobicContact CB-CD2 3.48Å; A409-L411 VanDerWaalsContact CB-CD2 3.48Å; A409-L411 HydrophobicContact CB-CG 3.81Å; A409-D489 CarbonylContact O-C 3.3Å; A409-D489 WeakPolarHBondContact O-CA 3.42Å; A409-Y490 PolarHBondContact N-O 2.95Å; A409-Y490 PolarHBondContact O-N 3.36Å
410	D	98.7	Very high	94.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	102.5	150	-178.5	-9.5	0	0	0	107.1	N195 Q239 A359 H360 M361 N412 H529	N195-D410 PolarHBondContact ND2-OD2 3.45Å; Q239-D410 HydrophobicContact CG-CB 4.32Å; A359-D410 PolarHBondContact O-N 3.47Å; A359-D410 VanDerWaalsContact O-N 3.1Å; H360-D410 IonicContact CD2-OD2 3.8Å; H360-D410 IonicContact NE2-OD2 3.86Å; M361-D410 PolarHBondContact N-O 2.96Å; D410-N412 VanDerWaalsContact C-N 3.34Å; D410-N412 PolarHBondContact OD1-N 3.26Å; D410-N412 PolarHBondContact OD1-ND2 3.02Å; D410-H529 IonicContact OD2-CE1 3.81Å; D410-H529 PolarHBondContact OD2-CE1 3.07Å; D410-H529 IonicContact OD2-NE2 3.96Å
411	L	98.6	Very high	95.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.137	C	C	.	.			trans	-85.5	-10.6	-178.4	-64.8	178.8	0	0	0	112.2	M361 A409 S413 V419 V420 L423 I488 Y490 F492	M361-L411 HydrophobicContact CE-CD2 3.99Å; M361-L411 HydrophobicContact CG-CD2 3.88Å; A409-L411 HydrophobicContact CB-CD2 3.48Å; A409-L411 VanDerWaalsContact CB-CD2 3.48Å; A409-L411 HydrophobicContact CB-CG 3.81Å; L411-S413 WeakPolarHBondContact O-CB 3.27Å; L411-S413 PolarHBondContact O-N 3.14Å; L411-S413 PolarHBondContact O-OG 3.06Å; L411-V419 HydrophobicContact CB-CG1 4.06Å; L411-V419 HydrophobicContact CD1-CG1 3.82Å; L411-V419 HydrophobicContact CD2-CG1 4.06Å; L411-V419 HydrophobicContact CG-CG1 4.2Å; L411-V420 HydrophobicContact CD1-CG2 4.45Å; L411-L423 HydrophobicContact CD1-CD1 3.65Å; L411-L423 HydrophobicContact CD2-CD1 4.37Å; L411-I488 PolarHBondContact N-O 3.27Å; L411-Y490 HydrophobicContact CB-CD2 3.97Å; L411-Y490 HydrophobicContact CB-CE2 4.07Å; L411-Y490 HydrophobicContact CD1-CD2 3.38Å; L411-Y490 HydrophobicContact CD1-CE2 3.89Å; L411-Y490 HydrophobicContact CD1-CG 3.93Å; L411-Y490 HydrophobicContact CG-CD2 3.76Å; L411-Y490 HydrophobicContact CG-CE2 4.31Å; L411-F492 HydrophobicContact CD1-CE2 3.97Å
412	N	98.4	Very high	96.7	Very high	25 Å²	25	20.3 Å²	20.3	13%	0.134	12%	0.115	C	C	.	.			trans	47	29.9	-173.2	-84.5	-63	0	0	0	112.9	H360 M361 H362 K371 D410	H360-N412 PolarHBondContact NE2-ND2 3.43Å; M361-N412 PolarHBondContact O-ND2 3.43Å; H362-N412 VanDerWaalsContact O-CB 3.22Å; H362-N412 WeakPolarHBondContact O-CB 3.3Å; K371-N412 HydrophobicContact CD-CB 4.35Å; K371-N412 WeakPolarHBondContact CD-O 3.49Å; K371-N412 PolarHBondContact NZ-O 2.86Å; D410-N412 VanDerWaalsContact C-N 3.34Å; D410-N412 PolarHBondContact OD1-N 3.26Å; D410-N412 PolarHBondContact OD1-ND2 3.02Å
413	S	98.4	Very high	97.4	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.07	11%	0.105	C	C	.	.			trans	-141.7	130.7	-169.6	-57.9	0	0	0	0	109.5	K371 L411 S417 Y490	K371-S413 WeakPolarHBondContact CD-OG 3.2Å; L411-S413 WeakPolarHBondContact O-CB 3.27Å; L411-S413 PolarHBondContact O-N 3.14Å; L411-S413 PolarHBondContact O-OG 3.06Å; S413-S417 WeakPolarHBondContact CB-OG 3.42Å; S413-Y490 WeakPolarHBondContact O-CE2 3.35Å; S413-Y490 PolarHBondContact O-OH 2.99Å
414	L	97.6	Very high	97.7	Very high	70 Å²	70	20.4 Å²	20.4	37%	0.366	12%	0.116	S	C	.	.			trans	-71.3	164.2	-177	-70.5	174.3	0	0	0	112.4	D416 S417 V420 F484 I488	L414-D416 VanDerWaalsContact CB-OD1 3.3Å; L414-D416 WeakPolarHBondContact CB-OD1 3.32Å; L414-D416 PolarHBondContact O-N 3.14Å; L414-S417 WeakPolarHBondContact O-CB 3.26Å; L414-S417 PolarHBondContact O-N 2.96Å; L414-S417 PolarHBondContact O-OG 2.89Å; L414-V420 WeakPolarHBondContact O-CG2 3.32Å; L414-F484 HydrophobicContact CD2-CE2 4.17Å; L414-F484 HydrophobicContact CD2-CZ 3.88Å; L414-I488 HydrophobicContact CD2-CG2 4.41Å
415	P	96.9	Very high	97.8	Very high	76 Å²	76	25.5 Å²	25.5	49%	0.494	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.3	-179.4	-27.8	36.2	0	0	0	116	V420 V487 Y490	P415-V420 WeakPolarHBondContact O-CG1 3.5Å; P415-V487 HydrophobicContact CG-CB 4.11Å; P415-V487 HydrophobicContact CG-CG1 4.43Å; P415-Y490 WeakPolarHBondContact CD-OH 3.39Å
416	D	95.6	Very high	97.6	Very high	112 Å²	112	26.1 Å²	26.1	60%	0.599	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	9.3	178.9	70.1	-36.1	0	0	0	113.8	L414	L414-D416 VanDerWaalsContact CB-OD1 3.3Å; L414-D416 WeakPolarHBondContact CB-OD1 3.32Å; L414-D416 PolarHBondContact O-N 3.14Å
417	S	97.6	Very high	97.4	Very high	12 Å²	12	26.1 Å²	26.1	8%	0.084	15%	0.15	C	C	.	.	S	Bend	trans	-78.2	156.5	176.2	66.3	0	0	0	0	112.7	S413 L414 V419 V420 E421	S413-S417 WeakPolarHBondContact CB-OG 3.42Å; L414-S417 WeakPolarHBondContact O-CB 3.26Å; L414-S417 PolarHBondContact O-N 2.96Å; L414-S417 PolarHBondContact O-OG 2.89Å; S417-V419 PolarHBondContact O-N 3.13Å; S417-V420 PolarHBondContact O-N 3.12Å; S417-V420 PolarHBondContact OG-N 3.34Å; S417-E421 PolarHBondContact O-N 2.92Å
418	G	97.6	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-23.9	170.8	0	0	0	0	0	112.7	L372 Y422 V428 H432 D434	L372-G418 WeakPolarHBondContact CD1-O 3.41Å; G418-Y422 WeakPolarHBondContact O-CB 3.48Å; G418-Y422 PolarHBondContact O-N 3.26Å; G418-V428 WeakPolarHBondContact O-CG1 3.38Å; G418-H432 WeakPolarHBondContact CA-CE1 3.3Å; G418-D434 WeakPolarHBondContact CA-OD2 3.48Å; G418-D434 PolarHBondContact N-OD2 3.14Å
419	V	98.3	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-51.6	173.7	169.1	0	0	0	0	110.8	K371 L372 T375 L411 S417 Y422 L423	K371-V419 HydrophobicContact CB-CG2 3.98Å; L372-V419 HydrophobicContact CB-CG2 4Å; L372-V419 HydrophobicContact CD1-CG2 4.33Å; T375-V419 HydrophobicContact CG2-CG1 4.2Å; T375-V419 WeakPolarHBondContact OG1-CG1 3.41Å; L411-V419 HydrophobicContact CB-CG1 4.06Å; L411-V419 HydrophobicContact CD1-CG1 3.82Å; L411-V419 HydrophobicContact CD2-CG1 4.06Å; L411-V419 HydrophobicContact CG-CG1 4.2Å; S417-V419 PolarHBondContact O-N 3.13Å; V419-Y422 PolarHBondContact O-N 3.2Å; V419-L423 WeakPolarHBondContact O-CG 3.45Å; V419-L423 PolarHBondContact O-N 3.2Å
420	V	98.1	Very high	96.4	Very high	13 Å²	13	28.4 Å²	28.4	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-72	-37.2	180	174.8	0	0	0	0	111.1	L411 L414 P415 S417 L423 S424 Y490 F492	L411-V420 HydrophobicContact CD1-CG2 4.45Å; L414-V420 WeakPolarHBondContact O-CG2 3.32Å; P415-V420 WeakPolarHBondContact O-CG1 3.5Å; S417-V420 PolarHBondContact O-N 3.12Å; S417-V420 PolarHBondContact OG-N 3.34Å; V420-L423 PolarHBondContact O-N 3.28Å; V420-S424 VanDerWaalsContact O-CB 3.25Å; V420-S424 WeakPolarHBondContact O-CB 3.2Å; V420-S424 PolarHBondContact O-N 3.48Å; V420-S424 PolarHBondContact O-OG 3.22Å; V420-Y490 HydrophobicContact CG2-CE1 4.04Å; V420-Y490 HydrophobicContact CG2-CE2 4.12Å; V420-F492 HydrophobicContact CG1-CZ 4.36Å
421	E	97.7	Very high	96	Very high	61 Å²	61	34.5 Å²	34.5	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-58.7	-48.7	172.7	-169.8	-170.2	142.4	0	0	111	S417 L423 S424 N425 V428 H432	S417-E421 PolarHBondContact O-N 2.92Å; E421-L423 PolarHBondContact O-N 3.17Å; E421-S424 PolarHBondContact O-N 3.04Å; E421-N425 VanDerWaalsContact CG-ND2 3.33Å; E421-N425 WeakPolarHBondContact CG-ND2 3.23Å; E421-N425 VanDerWaalsContact O-CB 3.25Å; E421-N425 WeakPolarHBondContact O-CB 3.49Å; E421-N425 PolarHBondContact O-N 3.27Å; E421-V428 HydrophobicContact CB-CG1 3.83Å; E421-V428 HydrophobicContact CG-CG1 3.86Å; E421-H432 IonicContact OE2-CD2 3.77Å; E421-H432 IonicContact OE2-NE2 3.57Å; E421-H432 PolarHBondContact OE2-NE2 2.83Å
422	Y	97.5	Very high	95.7	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-52.5	179.1	175.9	-106.7	0	0	0	111.1	L372 T375 M376 V379 G418 V419 G426 G427 V428 I460 H462	L372-Y422 HydrophobicContact CD1-CG 4.35Å; T375-Y422 HydrophobicContact CG2-CD1 3.97Å; T375-Y422 HydrophobicContact CG2-CE1 4.34Å; M376-Y422 HydrophobicContact CB-CE1 4.39Å; M376-Y422 HydrophobicContact CE-CD2 3.82Å; M376-Y422 HydrophobicContact CE-CE2 3.98Å; M376-Y422 HydrophobicContact CE-CG 4.38Å; M376-Y422 HydrophobicContact CG-CD1 4.27Å; M376-Y422 HydrophobicContact CG-CD2 4.31Å; M376-Y422 HydrophobicContact CG-CE1 3.81Å; M376-Y422 HydrophobicContact CG-CE2 3.89Å; M376-Y422 HydrophobicContact CG-CG 4.5Å; V379-Y422 HydrophobicContact CB-CE1 4.22Å; V379-Y422 HydrophobicContact CG1-CE1 4.45Å; V379-Y422 HydrophobicContact CG2-CE1 4.15Å; G418-Y422 WeakPolarHBondContact O-CB 3.48Å; G418-Y422 PolarHBondContact O-N 3.26Å; V419-Y422 PolarHBondContact O-N 3.2Å; Y422-G426 CarbonylContact O-C 3.55Å; Y422-G426 WeakPolarHBondContact O-CA 3.38Å; Y422-G426 PolarHBondContact O-N 3.4Å; Y422-G426 VanDerWaalsContact O-N 3.07Å; Y422-G427 PolarHBondContact O-N 3.2Å; Y422-V428 HydrophobicContact CD2-CG2 4.21Å; Y422-I460 HydrophobicContact CE2-CG2 4.31Å; Y422-H462 AromaticContact CD1-CD2 3.9Å; Y422-H462 AromaticContact CE1-CD2 3.51Å; Y422-H462 AromaticContact CE2-CD2 3.85Å; Y422-H462 AromaticContact CZ-CD2 3.48Å; Y422-H462 VanDerWaalsContact CZ-CD2 3.48Å; Y422-H462 PolarHBondContact O-NE2 3.35Å
423	L	97.8	Very high	95.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-46.3	-179.5	-67.9	172.9	0	0	0	112.5	T375 V379 L407 L411 V419 V420 E421 H462 L466 F492	T375-L423 HydrophobicContact CG2-CD1 4.04Å; T375-L423 HydrophobicContact CG2-CD2 3.82Å; T375-L423 HydrophobicContact CG2-CG 3.88Å; V379-L423 HydrophobicContact CG2-CD2 3.65Å; L407-L423 HydrophobicContact CD2-CD1 4.29Å; L407-L423 HydrophobicContact CD2-CD2 3.87Å; L411-L423 HydrophobicContact CD1-CD1 3.65Å; L411-L423 HydrophobicContact CD2-CD1 4.37Å; V419-L423 WeakPolarHBondContact O-CG 3.45Å; V419-L423 PolarHBondContact O-N 3.2Å; V420-L423 PolarHBondContact O-N 3.28Å; E421-L423 PolarHBondContact O-N 3.17Å; L423-H462 WeakPolarHBondContact CA-NE2 3.37Å; L423-H462 PolarHBondContact O-NE2 3.09Å; L423-L466 HydrophobicContact CD2-CD1 4.06Å; L423-L466 WeakPolarHBondContact O-CB 3.29Å; L423-F492 HydrophobicContact CB-CD1 4.24Å; L423-F492 HydrophobicContact CB-CE1 3.86Å; L423-F492 HydrophobicContact CB-CE2 4.36Å; L423-F492 HydrophobicContact CB-CZ 3.92Å; L423-F492 HydrophobicContact CD1-CD2 4Å; L423-F492 HydrophobicContact CD1-CE2 3.67Å; L423-F492 HydrophobicContact CD1-CZ 4.03Å
424	S	96.6	Very high	95.4	Very high	36 Å²	36	41.2 Å²	41.2	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-76.3	-38.9	-172.1	-53.8	0	0	0	0	112.9	V420 E421 F492	V420-S424 VanDerWaalsContact O-CB 3.25Å; V420-S424 WeakPolarHBondContact O-CB 3.2Å; V420-S424 PolarHBondContact O-N 3.48Å; V420-S424 PolarHBondContact O-OG 3.22Å; E421-S424 PolarHBondContact O-N 3.04Å; S424-F492 WeakPolarHBondContact OG-CE1 3.4Å
425	N	95.8	Very high	95.2	Very high	109 Å²	109	38 Å²	38	58%	0.583	21%	0.209	S	C	*	.	H	α-helix	trans	-96.4	-3.3	-174.2	-61.6	-15.8	0	0	0	112.7	E421 G427	E421-N425 VanDerWaalsContact CG-ND2 3.33Å; E421-N425 WeakPolarHBondContact CG-ND2 3.23Å; E421-N425 VanDerWaalsContact O-CB 3.25Å; E421-N425 WeakPolarHBondContact O-CB 3.49Å; E421-N425 PolarHBondContact O-N 3.27Å; N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 3.17Å
426	G	93.9	Very high	94.8	Very high	15 Å²	15	38.4 Å²	38.4	16%	0.155	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	13.9	-176.2	0	0	0	0	0	113.6	Y422 T461 H462	Y422-G426 CarbonylContact O-C 3.55Å; Y422-G426 WeakPolarHBondContact O-CA 3.38Å; Y422-G426 PolarHBondContact O-N 3.4Å; Y422-G426 VanDerWaalsContact O-N 3.07Å; G426-T461 CarbonylContact O-C 3.57Å; G426-T461 WeakPolarHBondContact O-CA 3.32Å; G426-T461 VanDerWaalsContact O-CB 3.29Å; G426-T461 WeakPolarHBondContact O-CB 3.42Å; G426-H462 PolarHBondContact O-N 2.69Å
427	G	93.9	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160	164.9	177.5	0	0	0	0	0	115	Y422 N425 R459 I460	Y422-G427 PolarHBondContact O-N 3.2Å; N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 3.17Å; G427-R459 VanDerWaalsContact C-NH2 3.31Å; G427-R459 PolarHBondContact O-NH2 3.08Å; G427-I460 CarbonylContact C-O 3.57Å; G427-I460 WeakPolarHBondContact CA-O 3.38Å
428	V	94.7	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163	175.1	-69	0	0	0	0	110.6	L372 M376 G418 E421 Y422 H432 F435 R459 I460	L372-V428 HydrophobicContact CD1-CG2 4.49Å; L372-V428 HydrophobicContact CD2-CG2 4.33Å; M376-V428 HydrophobicContact CE-CG2 3.57Å; G418-V428 WeakPolarHBondContact O-CG1 3.38Å; E421-V428 HydrophobicContact CB-CG1 3.83Å; E421-V428 HydrophobicContact CG-CG1 3.86Å; Y422-V428 HydrophobicContact CD2-CG2 4.21Å; V428-H432 HydrophobicContact CB-CB 4.42Å; V428-F435 HydrophobicContact CG2-CE2 4.43Å; V428-R459 CarbonylContact O-C 3.58Å; V428-R459 VanDerWaalsContact O-CA 3.3Å; V428-R459 WeakPolarHBondContact O-CA 3.09Å; V428-I460 PolarHBondContact N-O 2.89Å; V428-I460 PolarHBondContact O-N 3.22Å
429	A	92.3	Very high	92.2	Very high	25 Å²	25	55.2 Å²	55.2	21%	0.207	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	145.1	170.1	0	0	0	0	0	111	N431 H432 G458	A429-N431 WeakPolarHBondContact CB-OD1 3.44Å; A429-N431 PolarHBondContact O-N 2.81Å; A429-H432 VanDerWaalsContact O-CB 3.27Å; A429-H432 WeakPolarHBondContact O-CB 3.33Å; A429-H432 PolarHBondContact O-N 2.99Å; A429-H432 VanDerWaalsContact O-N 3.14Å; A429-G458 CarbonylContact C-O 3.52Å; A429-G458 WeakPolarHBondContact CA-O 3.47Å
430	D	88.2	Confident	91.4	Very high	29 Å²	29	55.4 Å²	55.4	16%	0.155	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15	178.7	69.9	-11.5	0	0	0	113.1	N441 G458 I460	D430-N441 PolarHBondContact OD2-ND2 3.17Å; D430-G458 PolarHBondContact N-O 3.2Å; D430-I460 HydrophobicContact CB-CD1 4.19Å; D430-I460 HydrophobicContact CB-CG1 4.24Å
431	N	89.5	Confident	90.3	Very high	129 Å²	129	57.3 Å²	57.3	69%	0.69	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	19.5	173.8	68.8	-9	0	0	0	113.4	A429	A429-N431 WeakPolarHBondContact CB-OD1 3.44Å; A429-N431 PolarHBondContact O-N 2.81Å
432	H	94.2	Very high	89.3	Confident	23 Å²	23	61.5 Å²	61.5	11%	0.106	30%	0.299	C	S	.	.			trans	-55.7	142.7	179.5	-173.9	-87.9	0	0	0	112.1	G418 E421 V428 A429 D434 F435	G418-H432 WeakPolarHBondContact CA-CE1 3.3Å; E421-H432 IonicContact OE2-CD2 3.77Å; E421-H432 IonicContact OE2-NE2 3.57Å; E421-H432 PolarHBondContact OE2-NE2 2.83Å; V428-H432 HydrophobicContact CB-CB 4.42Å; A429-H432 VanDerWaalsContact O-CB 3.27Å; A429-H432 WeakPolarHBondContact O-CB 3.33Å; A429-H432 PolarHBondContact O-N 2.99Å; A429-H432 VanDerWaalsContact O-N 3.14Å; H432-D434 VanDerWaalsContact CE1-CG 3.46Å; H432-D434 IonicContact CE1-OD1 3.24Å; H432-D434 PolarHBondContact CE1-OD1 3.39Å; H432-D434 IonicContact CE1-OD2 3.38Å; H432-D434 WeakPolarHBondContact ND1-CB 3.28Å; H432-D434 PolarHBondContact ND1-N 3Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 IonicContact ND1-OD1 3.83Å; H432-D434 PolarHBondContact O-N 3.38Å; H432-D434 VanDerWaalsContact O-N 3.08Å; H432-F435 HydrophobicContact CB-CD2 4.01Å; H432-F435 HydrophobicContact CB-CE2 4.16Å; H432-F435 WeakPolarHBondContact O-CB 3.24Å; H432-F435 PolarHBondContact O-N 3.06Å
433	K	94.9	Very high	88.4	Confident	137 Å²	137	61.5 Å²	61.5	60%	0.596	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-53.2	-34.1	-175.4	65.4	178.3	-178.5	176.1	0	113.6	F435 K436	K433-F435 PolarHBondContact O-N 2.69Å; K433-K436 PolarHBondContact O-N 3.39Å
434	D	95.4	Very high	87.7	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.091	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.9	-178.4	-73.5	17.2	0	0	0	112.8	S368 D369 L372 G418 H432 K436	S368-D434 CarbonylContact C-O 3.48Å; S368-D434 PolarHBondContact OG-O 2.97Å; D369-D434 WeakPolarHBondContact CA-O 3.45Å; D369-D434 VanDerWaalsContact CB-O 3.27Å; D369-D434 WeakPolarHBondContact CB-O 3.43Å; D369-D434 PolarHBondContact N-O 3.38Å; L372-D434 HydrophobicContact CD2-CB 4.11Å; G418-D434 WeakPolarHBondContact CA-OD2 3.48Å; G418-D434 PolarHBondContact N-OD2 3.14Å; H432-D434 VanDerWaalsContact CE1-CG 3.46Å; H432-D434 IonicContact CE1-OD1 3.24Å; H432-D434 PolarHBondContact CE1-OD1 3.39Å; H432-D434 IonicContact CE1-OD2 3.38Å; H432-D434 WeakPolarHBondContact ND1-CB 3.28Å; H432-D434 PolarHBondContact ND1-N 3Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 IonicContact ND1-OD1 3.83Å; H432-D434 PolarHBondContact O-N 3.38Å; H432-D434 VanDerWaalsContact O-N 3.08Å; D434-K436 PolarHBondContact O-N 3.27Å
435	F	93.1	Very high	86.9	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.018	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-74	-2.7	171.9	-64.4	-55.3	0	0	0	113.7	D369 L372 I373 M376 V428 H432 K433 E437 L438 Y440 L444 I460	D369-F435 HydrophobicContact CB-CD1 4.44Å; L372-F435 HydrophobicContact CB-CE1 4.41Å; L372-F435 HydrophobicContact CD2-CD1 4.11Å; L372-F435 HydrophobicContact CD2-CD2 4.44Å; L372-F435 HydrophobicContact CD2-CE1 3.55Å; L372-F435 HydrophobicContact CD2-CE2 3.92Å; L372-F435 HydrophobicContact CD2-CZ 3.45Å; L372-F435 VanDerWaalsContact CD2-CZ 3.45Å; L372-F435 HydrophobicContact CG-CE1 3.82Å; L372-F435 HydrophobicContact CG-CZ 3.91Å; I373-F435 HydrophobicContact CG1-CE1 4.11Å; M376-F435 HydrophobicContact CE-CE1 4.45Å; M376-F435 HydrophobicContact CE-CZ 3.65Å; M376-F435 HydrophobicContact SD-CZ 4.2Å; V428-F435 HydrophobicContact CG2-CE2 4.43Å; H432-F435 HydrophobicContact CB-CD2 4.01Å; H432-F435 HydrophobicContact CB-CE2 4.16Å; H432-F435 WeakPolarHBondContact O-CB 3.24Å; H432-F435 PolarHBondContact O-N 3.06Å; K433-F435 PolarHBondContact O-N 2.69Å; F435-E437 VanDerWaalsContact C-N 3.28Å; F435-E437 PolarHBondContact O-N 2.98Å; F435-L438 VanDerWaalsContact O-CB 3.24Å; F435-L438 WeakPolarHBondContact O-CB 3.29Å; F435-L438 PolarHBondContact O-N 3.2Å; F435-Y440 HydrophobicContact CB-CD2 4.2Å; F435-Y440 HydrophobicContact CB-CE2 4.5Å; F435-Y440 AromaticContact CD1-CD2 3.69Å; F435-Y440 HydrophobicContact CD1-CD2 3.69Å; F435-Y440 HydrophobicContact CD1-CE2 4.18Å; F435-Y440 HydrophobicContact CE1-CD2 4.41Å; F435-Y440 HydrophobicContact CG-CD2 4.22Å; F435-L444 HydrophobicContact CD1-CD1 4.37Å; F435-L444 HydrophobicContact CE1-CD1 3.55Å; F435-L444 HydrophobicContact CZ-CD1 3.68Å; F435-I460 HydrophobicContact CE2-CD1 4.12Å; F435-I460 HydrophobicContact CZ-CD1 3.92Å
436	K	88.8	Confident	86.2	Confident	83 Å²	83	58 Å²	58	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	39.2	175	-63	-170.8	165.3	-162.3	0	114.2	E366 K433 D434 L438	E366-K436 VanDerWaalsContact C-NZ 3.32Å; E366-K436 WeakPolarHBondContact O-CE 3.24Å; E366-K436 PolarHBondContact O-NZ 2.96Å; E366-K436 IonicContact OE2-NZ 2.74Å; E366-K436 PolarHBondContact OE2-NZ 3.47Å; K433-K436 PolarHBondContact O-N 3.39Å; D434-K436 PolarHBondContact O-N 3.27Å; K436-L438 PolarHBondContact O-N 2.7Å
437	E	80.9	Confident	85.7	Confident	192 Å²	192	57.7 Å²	57.7	90%	0.897	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	4.9	-175.5	-50.4	-177.1	165.2	0	0	115.1	F435 R439	F435-E437 VanDerWaalsContact C-N 3.28Å; F435-E437 PolarHBondContact O-N 2.98Å; E437-R439 PolarHBondContact O-N 2.87Å
438	L	78.2	Confident	85.2	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.325	27%	0.274	S	S	.	.			trans	-74.9	121.2	174.7	-57.7	173	0	0	0	108.6	F435 K436 Y440	F435-L438 VanDerWaalsContact O-CB 3.24Å; F435-L438 WeakPolarHBondContact O-CB 3.29Å; F435-L438 PolarHBondContact O-N 3.2Å; K436-L438 PolarHBondContact O-N 2.7Å; L438-Y440 HydrophobicContact CB-CD2 4.07Å; L438-Y440 HydrophobicContact CB-CE1 4.26Å; L438-Y440 HydrophobicContact CB-CE2 3.46Å; L438-Y440 VanDerWaalsContact CB-CE2 3.46Å; L438-Y440 HydrophobicContact CD1-CE2 4.11Å; L438-Y440 WeakPolarHBondContact CD1-OH 3.13Å; L438-Y440 HydrophobicContact CG-CE2 4.41Å; L438-Y440 WeakPolarHBondContact O-CD2 3.42Å; L438-Y440 PolarHBondContact O-N 3.39Å; L438-Y440 VanDerWaalsContact O-N 3.08Å
439	R	76.6	Confident	84.2	Confident	224 Å²	224	60.6 Å²	60.6	85%	0.845	29%	0.291	S	S	*	.			trans	-80.4	91.8	-176	-64.4	-173.9	-178.6	-170.3	-0.1	110.6	E437	E437-R439 PolarHBondContact O-N 2.87Å
440	Y	81.5	Confident	83	Confident	3 Å²	3	63 Å²	63	1%	0.012	30%	0.301	C	S	.	.			trans	-96	3.8	177.4	-61.2	-60.9	0	0	0	113.9	A315 M316 R319 D369 I373 F435 L438 E442 C443 L444	A315-Y440 HydrophobicContact CB-CE1 4.16Å; M316-Y440 HydrophobicContact CB-CD1 3.75Å; M316-Y440 HydrophobicContact CB-CE1 3.68Å; M316-Y440 HydrophobicContact CG-CD1 4.29Å; M316-Y440 HydrophobicContact CG-CE1 4.33Å; R319-Y440 WeakPolarHBondContact CD-OH 3.36Å; D369-Y440 HydrophobicContact CB-CE2 3.94Å; D369-Y440 PolarHBondContact OD2-OH 3.2Å; I373-Y440 HydrophobicContact CD1-CD1 4.29Å; I373-Y440 HydrophobicContact CD1-CD2 3.88Å; I373-Y440 HydrophobicContact CD1-CE1 4.19Å; I373-Y440 HydrophobicContact CD1-CE2 3.74Å; I373-Y440 HydrophobicContact CD1-CG 4.11Å; F435-Y440 HydrophobicContact CB-CD2 4.2Å; F435-Y440 HydrophobicContact CB-CE2 4.5Å; F435-Y440 AromaticContact CD1-CD2 3.69Å; F435-Y440 HydrophobicContact CD1-CD2 3.69Å; F435-Y440 HydrophobicContact CD1-CE2 4.18Å; F435-Y440 HydrophobicContact CE1-CD2 4.41Å; F435-Y440 HydrophobicContact CG-CD2 4.22Å; L438-Y440 HydrophobicContact CB-CD2 4.07Å; L438-Y440 HydrophobicContact CB-CE1 4.26Å; L438-Y440 HydrophobicContact CB-CE2 3.46Å; L438-Y440 VanDerWaalsContact CB-CE2 3.46Å; L438-Y440 HydrophobicContact CD1-CE2 4.11Å; L438-Y440 WeakPolarHBondContact CD1-OH 3.13Å; L438-Y440 HydrophobicContact CG-CE2 4.41Å; L438-Y440 WeakPolarHBondContact O-CD2 3.42Å; L438-Y440 PolarHBondContact O-N 3.39Å; L438-Y440 VanDerWaalsContact O-N 3.08Å; Y440-E442 VanDerWaalsContact C-N 3.33Å; Y440-E442 PolarHBondContact O-N 2.69Å; Y440-C443 PolarHBondContact O-N 3.22Å; Y440-C443 VanDerWaalsContact O-N 3.16Å; Y440-C443 PolarHBondContact O-SG 3.05Å; Y440-L444 HydrophobicContact CG-CD1 4.26Å; Y440-L444 WeakPolarHBondContact O-CG 3.41Å; Y440-L444 PolarHBondContact O-N 3Å
441	N	73.8	Confident	82	Confident	54 Å²	54	62.9 Å²	62.9	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-53.9	-47.9	-165	-48.6	24.7	0	0	0	111.6	D430 C443 M445	D430-N441 PolarHBondContact OD2-ND2 3.17Å; N441-C443 PolarHBondContact O-N 2.65Å; N441-M445 VanDerWaalsContact O-CG 3.28Å; N441-M445 WeakPolarHBondContact O-CG 3.26Å; N441-M445 PolarHBondContact O-N 2.93Å
442	E	77.1	Confident	80.6	Confident	149 Å²	149	62.6 Å²	62.6	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-63.6	-42.8	-177.5	-64.3	-178.1	-174.3	0	0	113.4	Y440	Y440-E442 VanDerWaalsContact C-N 3.33Å; Y440-E442 PolarHBondContact O-N 2.69Å
443	C	79.4	Confident	78.9	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-79.1	-33.7	-178.3	62.1	0	0	0	0	112.5	S313 Y440 N441 M445 N446	S313-C443 VanDerWaalsContact CB-SG 3.57Å; Y440-C443 PolarHBondContact O-N 3.22Å; Y440-C443 VanDerWaalsContact O-N 3.16Å; Y440-C443 PolarHBondContact O-SG 3.05Å; N441-C443 PolarHBondContact O-N 2.65Å; C443-M445 VanDerWaalsContact C-N 3.34Å; C443-M445 PolarHBondContact O-N 2.97Å; C443-N446 WeakPolarHBondContact O-CB 3.29Å; C443-N446 PolarHBondContact O-N 2.9Å; C443-N446 PolarHBondContact O-ND2 2.97Å
444	L	82.9	Confident	77.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-76.5	-18	-178.3	-62.4	179.7	0	0	0	113.9	I373 M376 F435 Y440 N446 F447 S448 I460	I373-L444 HydrophobicContact CB-CD2 4.5Å; I373-L444 HydrophobicContact CD1-CD2 4.49Å; I373-L444 HydrophobicContact CG1-CD1 4.23Å; I373-L444 HydrophobicContact CG1-CD2 3.93Å; I373-L444 HydrophobicContact CG2-CD2 4.01Å; M376-L444 HydrophobicContact SD-CD1 4.14Å; M376-L444 HydrophobicContact SD-CD2 4.4Å; F435-L444 HydrophobicContact CD1-CD1 4.37Å; F435-L444 HydrophobicContact CE1-CD1 3.55Å; F435-L444 HydrophobicContact CZ-CD1 3.68Å; Y440-L444 HydrophobicContact CG-CD1 4.26Å; Y440-L444 WeakPolarHBondContact O-CG 3.41Å; Y440-L444 PolarHBondContact O-N 3Å; L444-N446 PolarHBondContact O-N 2.58Å; L444-N446 VanDerWaalsContact O-N 3.13Å; L444-F447 HydrophobicContact CD2-CD2 3.77Å; L444-F447 HydrophobicContact CD2-CE2 3.92Å; L444-F447 PolarHBondContact O-N 3.15Å; L444-S448 PolarHBondContact O-N 3.05Å; L444-I460 HydrophobicContact CB-CD1 3.69Å; L444-I460 HydrophobicContact CB-CG1 4.38Å; L444-I460 HydrophobicContact CD1-CD1 3.66Å; L444-I460 HydrophobicContact CG-CD1 4.33Å
445	M	78.9	Confident	75.3	Confident	22 Å²	22	68.3 Å²	68.3	11%	0.108	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-59.9	-21.3	171.9	-71.7	-59.7	164.4	0	0	112.9	N441 C443 F447 S448 G451 K452 S456	N441-M445 VanDerWaalsContact O-CG 3.28Å; N441-M445 WeakPolarHBondContact O-CG 3.26Å; N441-M445 PolarHBondContact O-N 2.93Å; C443-M445 VanDerWaalsContact C-N 3.34Å; C443-M445 PolarHBondContact O-N 2.97Å; M445-F447 PolarHBondContact O-N 2.95Å; M445-S448 PolarHBondContact O-N 3.35Å; M445-G451 CarbonylContact O-C 3.55Å; M445-K452 HydrophobicContact CB-CG 4.44Å; M445-S456 VanDerWaalsContact CE-OG 3.29Å; M445-S456 WeakPolarHBondContact CE-OG 3.42Å; M445-S456 PolarHBondContact SD-OG 2.96Å
446	N	81.8	Confident	73.7	Confident	48 Å²	48	70 Å²	70	26%	0.257	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.7	171.5	-69.6	-28	0	0	0	113.1	C443 L444 K452	C443-N446 WeakPolarHBondContact O-CB 3.29Å; C443-N446 PolarHBondContact O-N 2.9Å; C443-N446 PolarHBondContact O-ND2 2.97Å; L444-N446 PolarHBondContact O-N 2.58Å; L444-N446 VanDerWaalsContact O-N 3.13Å; N446-K452 WeakPolarHBondContact OD1-CE 3.49Å
447	F	82.9	Confident	73	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.035	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-96.2	-7.6	-179.1	-52.7	-55.7	0	0	0	112.9	V305 N309 M376 M377 L444 M445	V305-F447 HydrophobicContact CG1-CE1 3.87Å; V305-F447 HydrophobicContact CG1-CZ 4.2Å; N309-F447 HydrophobicContact CB-CE1 3.93Å; N309-F447 HydrophobicContact CB-CE2 4.3Å; N309-F447 HydrophobicContact CB-CZ 3.44Å; N309-F447 VanDerWaalsContact CB-CZ 3.44Å; M376-F447 HydrophobicContact CB-CB 4.3Å; M377-F447 HydrophobicContact CE-CE2 3.83Å; M377-F447 HydrophobicContact CE-CZ 3.72Å; M377-F447 HydrophobicContact CG-CD1 4.47Å; M377-F447 HydrophobicContact CG-CD2 4.44Å; M377-F447 HydrophobicContact CG-CE1 3.84Å; M377-F447 HydrophobicContact CG-CE2 3.81Å; M377-F447 HydrophobicContact CG-CZ 3.46Å; M377-F447 VanDerWaalsContact CG-CZ 3.46Å; M377-F447 HydrophobicContact SD-CZ 4.41Å; L444-F447 HydrophobicContact CD2-CD2 3.77Å; L444-F447 HydrophobicContact CD2-CE2 3.92Å; L444-F447 PolarHBondContact O-N 3.15Å; M445-F447 PolarHBondContact O-N 2.95Å
448	S	84	Confident	73.2	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.063	36%	0.356	C	S	.	.	S	Bend	trans	-75.1	144.8	176.8	-176.1	0	0	0	0	111.5	L444 M445 N450 G451 T461	L444-S448 PolarHBondContact O-N 3.05Å; M445-S448 PolarHBondContact O-N 3.35Å; S448-N450 PolarHBondContact O-N 3.28Å; S448-N450 VanDerWaalsContact O-N 3.14Å; S448-N450 PolarHBondContact OG-N 2.91Å; S448-G451 PolarHBondContact O-N 2.86Å; S448-T461 CarbonylContact C-O 3.59Å; S448-T461 WeakPolarHBondContact CA-O 3.4Å; S448-T461 PolarHBondContact OG-OG1 3.07Å
449	C	74.1	Confident	73.7	Confident	53 Å²	53	67.6 Å²	67.6	36%	0.358	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.2	173.9	64.9	0	0	0	0	113.4	G451 T461	C449-G451 VanDerWaalsContact C-N 3.33Å; C449-T461 PolarHBondContact N-O 2.98Å; C449-T461 PolarHBondContact SG-OG1 2.68Å
450	N	67	Low	74.3	Confident	76 Å²	76	57 Å²	57	41%	0.406	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.4	-179.6	-74.2	0.1	0	0	0	113.1	S448 G454 S455	S448-N450 PolarHBondContact O-N 3.28Å; S448-N450 VanDerWaalsContact O-N 3.14Å; S448-N450 PolarHBondContact OG-N 2.91Å; N450-G454 WeakPolarHBondContact O-CA 3.23Å; N450-G454 PolarHBondContact O-N 3.3Å; N450-G454 VanDerWaalsContact O-N 3.1Å; N450-S455 PolarHBondContact ND2-O 3.21Å
451	G	66.8	Low	74.9	Confident	25 Å²	25	58.1 Å²	58.1	26%	0.258	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-170.3	-172.3	0	0	0	0	0	113.4	M445 S448 C449 N453	M445-G451 CarbonylContact O-C 3.55Å; S448-G451 PolarHBondContact O-N 2.86Å; C449-G451 VanDerWaalsContact C-N 3.33Å; G451-N453 PolarHBondContact O-N 2.99Å
452	K	60.3	Low	75.8	Confident	123 Å²	123	56.3 Å²	56.3	54%	0.535	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	179.3	-66	-165.8	-175.3	-171.3	0	114.4	M445 N446	M445-K452 HydrophobicContact CB-CG 4.44Å; N446-K452 WeakPolarHBondContact OD1-CE 3.49Å
453	N	58.4	Low	76.4	Confident	166 Å²	166	51.3 Å²	51.3	89%	0.888	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-8.3	-169.9	-68.5	-10.7	0	0	0	114.4	G451	G451-N453 PolarHBondContact O-N 2.99Å
454	G	58.4	Low	76.9	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	-81.6	152	176.6	0	0	0	0	0	111.4	N450 S456	N450-G454 WeakPolarHBondContact O-CA 3.23Å; N450-G454 PolarHBondContact O-N 3.3Å; N450-G454 VanDerWaalsContact O-N 3.1Å; G454-S456 VanDerWaalsContact C-N 3.32Å; G454-S456 PolarHBondContact O-N 2.93Å
455	S	55.6	Low	77.5	Confident	104 Å²	104	57.1 Å²	57.1	73%	0.727	33%	0.328	S	S	*	.			trans	-66.8	91.8	172.6	59.4	0	0	0	0	109.4	N450 E457	N450-S455 PolarHBondContact ND2-O 3.21Å; S455-E457 PolarHBondContact O-N 3.13Å
456	S	59.3	Low	78.3	Confident	39 Å²	39	56.2 Å²	56.2	27%	0.273	32%	0.323	S	S	.	.			trans	-77.9	109.4	164.4	26.7	0	0	0	0	106.8	M445 G454 G458 R459	M445-S456 VanDerWaalsContact CE-OG 3.29Å; M445-S456 WeakPolarHBondContact CE-OG 3.42Å; M445-S456 PolarHBondContact SD-OG 2.96Å; G454-S456 VanDerWaalsContact C-N 3.32Å; G454-S456 PolarHBondContact O-N 2.93Å; S456-G458 PolarHBondContact O-N 3.07Å; S456-R459 WeakPolarHBondContact CB-O 3.48Å
457	E	75.2	Confident	79.1	Confident	176 Å²	176	57.1 Å²	57.1	82%	0.822	33%	0.325	S	S	*	.	S	Bend	trans	-67.6	51.3	171.3	-64.2	-178.4	159.6	0	0	110.9	S455 R459	S455-E457 PolarHBondContact O-N 3.13Å; E457-R459 VanDerWaalsContact C-N 3.31Å; E457-R459 PolarHBondContact O-N 3.34Å
458	G	84.6	Confident	79.8	Confident	28 Å²	28	57.5 Å²	57.5	29%	0.289	33%	0.328	S	S	.	.	S	Bend	trans	64.4	30.3	-174.2	0	0	0	0	0	113.8	A429 D430 S456	A429-G458 CarbonylContact C-O 3.52Å; A429-G458 WeakPolarHBondContact CA-O 3.47Å; D430-G458 PolarHBondContact N-O 3.2Å; S456-G458 PolarHBondContact O-N 3.07Å
459	R	88.8	Confident	80.5	Confident	84 Å²	84	57.2 Å²	57.2	32%	0.317	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.6	-177	-66.3	177.2	62.4	73.8	2	112.3	G427 V428 S456 E457 T461	G427-R459 VanDerWaalsContact C-NH2 3.31Å; G427-R459 PolarHBondContact O-NH2 3.08Å; V428-R459 CarbonylContact O-C 3.58Å; V428-R459 VanDerWaalsContact O-CA 3.3Å; V428-R459 WeakPolarHBondContact O-CA 3.09Å; S456-R459 WeakPolarHBondContact CB-O 3.48Å; E457-R459 VanDerWaalsContact C-N 3.31Å; E457-R459 PolarHBondContact O-N 3.34Å; R459-T461 HydrophobicContact CB-CG2 4.08Å
460	I	89.9	Confident	81.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.3	171.8	-56.8	160.4	0	0	0	107.1	M376 Y422 G427 V428 D430 F435 L444	M376-I460 HydrophobicContact CE-CB 3.96Å; M376-I460 HydrophobicContact CE-CD1 4.04Å; M376-I460 HydrophobicContact CE-CG2 3.74Å; M376-I460 HydrophobicContact SD-CD1 4.3Å; M376-I460 HydrophobicContact SD-CG2 3.78Å; Y422-I460 HydrophobicContact CE2-CG2 4.31Å; G427-I460 CarbonylContact C-O 3.57Å; G427-I460 WeakPolarHBondContact CA-O 3.38Å; V428-I460 PolarHBondContact N-O 2.89Å; V428-I460 PolarHBondContact O-N 3.22Å; D430-I460 HydrophobicContact CB-CD1 4.19Å; D430-I460 HydrophobicContact CB-CG1 4.24Å; F435-I460 HydrophobicContact CE2-CD1 4.12Å; F435-I460 HydrophobicContact CZ-CD1 3.92Å; L444-I460 HydrophobicContact CB-CD1 3.69Å; L444-I460 HydrophobicContact CB-CG1 4.38Å; L444-I460 HydrophobicContact CD1-CD1 3.66Å; L444-I460 HydrophobicContact CG-CD1 4.33Å
461	T	92.7	Very high	82.7	Confident	26 Å²	26	56.1 Å²	56.1	16%	0.16	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.2	-163	49.7	0	0	0	0	112.8	G426 S448 C449 R459	G426-T461 CarbonylContact O-C 3.57Å; G426-T461 WeakPolarHBondContact O-CA 3.32Å; G426-T461 VanDerWaalsContact O-CB 3.29Å; G426-T461 WeakPolarHBondContact O-CB 3.42Å; S448-T461 CarbonylContact C-O 3.59Å; S448-T461 WeakPolarHBondContact CA-O 3.4Å; S448-T461 PolarHBondContact OG-OG1 3.07Å; C449-T461 PolarHBondContact N-O 2.98Å; C449-T461 PolarHBondContact SG-OG1 2.68Å; R459-T461 HydrophobicContact CB-CG2 4.08Å
462	H	92.8	Very high	83.7	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.079	34%	0.339	C	S	.	.			trans	-128.5	156.8	171.1	67.6	74.7	0	0	0	112.1	V379 Y422 L423 G426 F464	V379-H462 HydrophobicContact CG1-CB 3.7Å; Y422-H462 AromaticContact CD1-CD2 3.9Å; Y422-H462 AromaticContact CE1-CD2 3.51Å; Y422-H462 AromaticContact CE2-CD2 3.85Å; Y422-H462 AromaticContact CZ-CD2 3.48Å; Y422-H462 VanDerWaalsContact CZ-CD2 3.48Å; Y422-H462 PolarHBondContact O-NE2 3.35Å; L423-H462 WeakPolarHBondContact CA-NE2 3.37Å; L423-H462 PolarHBondContact O-NE2 3.09Å; G426-H462 PolarHBondContact O-N 2.69Å; H462-F464 HydrophobicContact CB-CD2 4.44Å; H462-F464 PolarHBondContact CE1-O 2.76Å; H462-F464 WeakPolarHBondContact ND1-CB 3.47Å; H462-F464 PolarHBondContact ND1-N 2.9Å; H462-F464 VanDerWaalsContact ND1-N 3.2Å; H462-F464 PolarHBondContact ND1-O 3.03Å
463	G	89.7	Confident	85.1	Confident	43 Å²	43	63.3 Å²	63.3	44%	0.443	35%	0.351	S	S	.	.	S	Bend	trans	-80	-16.3	-178	0	0	0	0	0	115	Q465	G463-Q465 PolarHBondContact O-N 2.91Å
464	F	91.6	Very high	86.8	Confident	18 Å²	18	57 Å²	57	8%	0.079	32%	0.317	C	S	.	.			trans	-66.8	123.4	-179.2	-58.1	-77.5	0	0	0	111.2	V379 V382 K383 L386 L405 H462 L466	V379-F464 HydrophobicContact CG1-CD2 3.54Å; V379-F464 HydrophobicContact CG1-CE2 3.7Å; V382-F464 HydrophobicContact CG1-CE1 4.48Å; V382-F464 HydrophobicContact CG1-CE2 4.47Å; V382-F464 HydrophobicContact CG1-CZ 3.89Å; K383-F464 HydrophobicContact CB-CE2 4.01Å; K383-F464 HydrophobicContact CB-CZ 4Å; L386-F464 HydrophobicContact CD1-CE1 3.53Å; L386-F464 HydrophobicContact CD1-CZ 3.9Å; L405-F464 HydrophobicContact CB-CD1 4.28Å; L405-F464 HydrophobicContact CB-CE1 4.38Å; L405-F464 HydrophobicContact CD2-CD1 3.73Å; L405-F464 HydrophobicContact CD2-CD2 4.39Å; L405-F464 HydrophobicContact CD2-CE1 3.86Å; L405-F464 HydrophobicContact CD2-CE2 4.5Å; L405-F464 HydrophobicContact CD2-CG 4.01Å; L405-F464 HydrophobicContact CD2-CZ 4.25Å; H462-F464 HydrophobicContact CB-CD2 4.44Å; H462-F464 PolarHBondContact CE1-O 2.76Å; H462-F464 WeakPolarHBondContact ND1-CB 3.47Å; H462-F464 PolarHBondContact ND1-N 2.9Å; H462-F464 VanDerWaalsContact ND1-N 3.2Å; H462-F464 PolarHBondContact ND1-O 3.03Å; F464-L466 VanDerWaalsContact C-N 3.31Å; F464-L466 HydrophobicContact CB-CD1 4.04Å; F464-L466 HydrophobicContact CB-CD2 3.89Å; F464-L466 HydrophobicContact CB-CG 3.63Å; F464-L466 PolarHBondContact O-N 3.25Å; F464-L466 VanDerWaalsContact O-N 3.11Å
465	Q	93.7	Very high	88.6	Confident	107 Å²	107	56.1 Å²	56.1	50%	0.5	31%	0.306	S	S	.	.			trans	-85.3	76.5	172.3	-69.9	-169	48.1	0	0	109.5	G463 K495 T496	G463-Q465 PolarHBondContact O-N 2.91Å; Q465-K495 HydrophobicContact CB-CD 4.45Å; Q465-K495 HydrophobicContact CB-CG 4.14Å; Q465-K495 WeakPolarHBondContact O-CG 3.14Å; Q465-K495 PolarHBondContact O-N 2.92Å; Q465-T496 HydrophobicContact CB-CG2 3.96Å; Q465-T496 VanDerWaalsContact CD-CG2 3.42Å; Q465-T496 HydrophobicContact CG-CG2 4.22Å; Q465-T496 VanDerWaalsContact OE1-CG2 3.27Å
466	L	97.1	Very high	90.5	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	157.4	-174.3	-57.4	176.7	0	0	0	112.8	L405 L407 L423 F464 F492 Y493	L405-L466 HydrophobicContact CD2-CD1 4.47Å; L405-L466 HydrophobicContact CD2-CD2 4.09Å; L405-L466 HydrophobicContact CG-CD2 4.38Å; L407-L466 HydrophobicContact CD2-CD1 4.44Å; L423-L466 HydrophobicContact CD2-CD1 4.06Å; L423-L466 WeakPolarHBondContact O-CB 3.29Å; F464-L466 VanDerWaalsContact C-N 3.31Å; F464-L466 HydrophobicContact CB-CD1 4.04Å; F464-L466 HydrophobicContact CB-CD2 3.89Å; F464-L466 HydrophobicContact CB-CG 3.63Å; F464-L466 PolarHBondContact O-N 3.25Å; F464-L466 VanDerWaalsContact O-N 3.11Å; L466-F492 HydrophobicContact CB-CB 4.45Å; L466-F492 HydrophobicContact CB-CD1 4.06Å; L466-F492 HydrophobicContact CD1-CB 4.43Å; L466-Y493 CarbonylContact C-O 3.49Å; L466-Y493 VanDerWaalsContact CA-O 3.3Å; L466-Y493 WeakPolarHBondContact CA-O 3.43Å
467	K	97.1	Very high	92.3	Very high	67 Å²	67	53.4 Å²	53.4	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	140.6	172.2	-170.4	170.9	-179.7	-157.1	0	109	E471 F492 Y493 K495	K467-E471 WeakPolarHBondContact CE-OE1 3.25Å; K467-E471 WeakPolarHBondContact CE-OE2 3.19Å; K467-E471 IonicContact NZ-OE1 3.85Å; K467-E471 IonicContact NZ-OE2 3.41Å; K467-E471 PolarHBondContact NZ-OE2 2.89Å; K467-F492 CarbonylContact O-C 3.41Å; K467-F492 VanDerWaalsContact O-CA 3.32Å; K467-F492 WeakPolarHBondContact O-CA 3.17Å; K467-Y493 HydrophobicContact CB-CE1 3.99Å; K467-Y493 HydrophobicContact CB-CE2 4.4Å; K467-Y493 WeakPolarHBondContact CD-OH 3.31Å; K467-Y493 HydrophobicContact CG-CE1 4.25Å; K467-Y493 PolarHBondContact N-O 3.31Å; K467-Y493 WeakPolarHBondContact O-CD1 3.48Å; K467-Y493 WeakPolarHBondContact O-CE1 3.49Å; K467-Y493 PolarHBondContact O-N 3.36Å; K467-K495 HydrophobicContact CB-CB 3.94Å; K467-K495 HydrophobicContact CB-CD 4.31Å; K467-K495 HydrophobicContact CD-CB 4.48Å
468	S	98	Very high	93.4	Very high	15 Å²	15	45.1 Å²	45.1	11%	0.105	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.2	172.8	178.2	0	0	0	0	109.8	Y470	S468-Y470 VanDerWaalsContact C-N 3.29Å; S468-Y470 PolarHBondContact OG-N 3.49Å; S468-Y470 PolarHBondContact OG-O 3.44Å; S468-Y470 VanDerWaalsContact OG-O 3.11Å
469	A	98.2	Very high	94.1	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	23%	0.232	C	C	.	.	S	Bend	trans	-71.7	-26.2	173.6	0	0	0	0	0	112.7	I491 Y493 V500 T534	A469-I491 HydrophobicContact CB-CB 4.19Å; A469-I491 HydrophobicContact CB-CG2 4.37Å; A469-I491 WeakPolarHBondContact CB-O 3.36Å; A469-I491 PolarHBondContact N-O 3.16Å; A469-Y493 HydrophobicContact CB-CD1 4.25Å; A469-Y493 HydrophobicContact CB-CE1 4.38Å; A469-V500 HydrophobicContact CB-CG2 3.9Å; A469-T534 HydrophobicContact CB-CG2 4.07Å
470	Y	97.8	Very high	94.5	Very high	28 Å²	28	41.3 Å²	41.3	11%	0.11	22%	0.221	C	C	.	.	S	Bend	trans	-105.2	95	177.7	-74.7	-99.2	0	0	0	109.5	S468 L474 M475 V503 L504 L532 L533	S468-Y470 VanDerWaalsContact C-N 3.29Å; S468-Y470 PolarHBondContact OG-N 3.49Å; S468-Y470 PolarHBondContact OG-O 3.44Å; S468-Y470 VanDerWaalsContact OG-O 3.11Å; Y470-L474 HydrophobicContact CD1-CB 4.17Å; Y470-M475 HydrophobicContact CD1-CB 4.05Å; Y470-M475 HydrophobicContact CD1-CG 3.42Å; Y470-M475 VanDerWaalsContact CD1-CG 3.42Å; Y470-M475 HydrophobicContact CE1-CG 3.42Å; Y470-M475 VanDerWaalsContact CE1-CG 3.42Å; Y470-V503 HydrophobicContact CD1-CB 4.46Å; Y470-V503 HydrophobicContact CD1-CG2 4.4Å; Y470-V503 HydrophobicContact CD2-CG1 4.4Å; Y470-V503 HydrophobicContact CE1-CB 3.86Å; Y470-V503 HydrophobicContact CE1-CG1 4.39Å; Y470-V503 HydrophobicContact CE1-CG2 4.04Å; Y470-V503 HydrophobicContact CE2-CB 4.26Å; Y470-V503 HydrophobicContact CE2-CG1 4.12Å; Y470-L504 VanDerWaalsContact CE1-O 3.28Å; Y470-L504 WeakPolarHBondContact CE1-O 3.24Å; Y470-L504 PolarHBondContact OH-O 3.49Å; Y470-L532 HydrophobicContact CD1-CD2 4.49Å; Y470-L532 HydrophobicContact CD2-CD1 4.19Å; Y470-L532 HydrophobicContact CD2-CD2 4.37Å; Y470-L532 HydrophobicContact CE1-CD2 4.06Å; Y470-L532 HydrophobicContact CE2-CB 3.74Å; Y470-L532 HydrophobicContact CE2-CD1 4.16Å; Y470-L532 HydrophobicContact CE2-CD2 3.95Å; Y470-L532 HydrophobicContact CE2-CG 4.17Å; Y470-L533 PolarHBondContact OH-N 3.37Å; Y470-L533 PolarHBondContact OH-O 3.39Å
471	E	90.7	Very high	94.8	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.369	23%	0.227	S	C	.	.			trans	-106.3	177.5	174.7	-64.2	-171.5	121.8	0	0	111.9	K467 N473 L474	K467-E471 WeakPolarHBondContact CE-OE1 3.25Å; K467-E471 WeakPolarHBondContact CE-OE2 3.19Å; K467-E471 IonicContact NZ-OE1 3.85Å; K467-E471 IonicContact NZ-OE2 3.41Å; K467-E471 PolarHBondContact NZ-OE2 2.89Å; E471-N473 VanDerWaalsContact C-N 3.26Å; E471-N473 PolarHBondContact O-N 2.92Å; E471-L474 WeakPolarHBondContact O-CB 3.41Å; E471-L474 WeakPolarHBondContact O-CD1 3.29Å; E471-L474 WeakPolarHBondContact O-CG 3.4Å; E471-L474 PolarHBondContact O-N 2.78Å
472	N	87.2	Confident	94.9	Very high	151 Å²	151	43.2 Å²	43.2	81%	0.807	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	36.3	166.8	-58.6	-34.4	0	0	0	115.2	L474	N472-L474 PolarHBondContact O-N 2.7Å
473	N	89.5	Confident	95	Very high	148 Å²	148	49.2 Å²	49.2	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	29	-177.2	-55.1	-40	0	0	0	114.2	E471 M475	E471-N473 VanDerWaalsContact C-N 3.26Å; E471-N473 PolarHBondContact O-N 2.92Å; N473-M475 PolarHBondContact O-N 3.15Å; N473-M475 VanDerWaalsContact O-N 3.14Å
474	L	95.3	Very high	95.3	Very high	33 Å²	33	50.7 Å²	50.7	17%	0.173	26%	0.256	C	S	.	.	S	Bend	trans	-55.6	-27.4	173.1	-76	168.5	0	0	0	112.6	I175 L177 Y470 E471 N472 V503 P506	I175-L474 HydrophobicContact CD1-CD2 3.83Å; I175-L474 HydrophobicContact CG2-CD2 3.98Å; L177-L474 HydrophobicContact CD1-CD1 3.87Å; L177-L474 HydrophobicContact CD2-CD1 4.01Å; L177-L474 HydrophobicContact CD2-CD2 4.18Å; Y470-L474 HydrophobicContact CD1-CB 4.17Å; E471-L474 WeakPolarHBondContact O-CB 3.41Å; E471-L474 WeakPolarHBondContact O-CD1 3.29Å; E471-L474 WeakPolarHBondContact O-CG 3.4Å; E471-L474 PolarHBondContact O-N 2.78Å; N472-L474 PolarHBondContact O-N 2.7Å; L474-V503 HydrophobicContact CD1-CG2 4.1Å; L474-P506 WeakPolarHBondContact O-CD 3.18Å
475	M	95.8	Very high	95.5	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.039	27%	0.272	C	S	.	.			trans	-125	123.8	166.2	-81.5	-72.9	-90.2	0	0	108.8	Y470 N473 Y477 T478 V487 P506 F530 L532	Y470-M475 HydrophobicContact CD1-CB 4.05Å; Y470-M475 HydrophobicContact CD1-CG 3.42Å; Y470-M475 VanDerWaalsContact CD1-CG 3.42Å; Y470-M475 HydrophobicContact CE1-CG 3.42Å; Y470-M475 VanDerWaalsContact CE1-CG 3.42Å; N473-M475 PolarHBondContact O-N 3.15Å; N473-M475 VanDerWaalsContact O-N 3.14Å; M475-Y477 VanDerWaalsContact C-N 3.34Å; M475-Y477 WeakPolarHBondContact CE-O 3.36Å; M475-T478 HydrophobicContact CE-CG2 4.4Å; M475-V487 WeakPolarHBondContact O-CG2 3.28Å; M475-P506 WeakPolarHBondContact SD-CA 3.16Å; M475-P506 HydrophobicContact SD-CB 3.63Å; M475-F530 HydrophobicContact CE-CB 3.95Å; M475-L532 HydrophobicContact CE-CD2 3.89Å; M475-L532 HydrophobicContact CG-CD2 4.22Å
476	P	95.5	Very high	95.7	Very high	63 Å²	63	49.5 Å²	49.5	41%	0.409	25%	0.251	S	S	.	.	S	Bend	trans	-75.3	-25.7	176.1	29.9	-32.7	0	0	0	112.5	P506	P476-P506 HydrophobicContact CG-CB 4.29Å
477	Y	97.2	Very high	95.8	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.094	26%	0.257	C	S	.	.			trans	-157.5	150.4	177.8	40.1	-102.7	0	0	0	109.6	M475 Y480 G486 L512 F530	M475-Y477 VanDerWaalsContact C-N 3.34Å; M475-Y477 WeakPolarHBondContact CE-O 3.36Å; Y477-Y480 HydrophobicContact CD1-CD2 4.12Å; Y477-Y480 AromaticContact CD2-CD2 3.84Å; Y477-Y480 HydrophobicContact CD2-CD2 3.84Å; Y477-Y480 HydrophobicContact CD2-CG 4.48Å; Y477-Y480 HydrophobicContact CE1-CD2 4.03Å; Y477-Y480 HydrophobicContact CE1-CE2 4.13Å; Y477-Y480 AromaticContact CE2-CD2 3.75Å; Y477-Y480 HydrophobicContact CE2-CD2 3.75Å; Y477-Y480 HydrophobicContact CE2-CE2 4.36Å; Y477-Y480 HydrophobicContact CE2-CG 4.49Å; Y477-Y480 HydrophobicContact CG-CD2 4.04Å; Y477-Y480 AromaticContact CZ-CD2 3.85Å; Y477-G486 WeakPolarHBondContact CA-O 3.4Å; Y477-L512 HydrophobicContact CE2-CD1 4.3Å; Y477-L512 WeakPolarHBondContact OH-CD1 3.25Å; Y477-F530 AromaticContact CD2-CD2 3.84Å; Y477-F530 HydrophobicContact CD2-CD2 3.84Å; Y477-F530 AromaticContact CD2-CE2 3.52Å; Y477-F530 HydrophobicContact CD2-CE2 3.52Å; Y477-F530 HydrophobicContact CE2-CD2 4.12Å; Y477-F530 AromaticContact CE2-CE2 3.49Å; Y477-F530 HydrophobicContact CE2-CE2 3.49Å; Y477-F530 VanDerWaalsContact CE2-CE2 3.49Å; Y477-F530 HydrophobicContact CE2-CZ 4.2Å
478	T	98.2	Very high	95.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.245	C	C	.	.	S	Bend	trans	-116.1	-25.3	169.7	66.4	0	0	0	0	111.2	M475 G486 V487 I488 D489 H529 F530 L532	M475-T478 HydrophobicContact CE-CG2 4.4Å; T478-G486 PolarHBondContact N-O 3.3Å; T478-V487 HydrophobicContact CG2-CB 4.4Å; T478-V487 HydrophobicContact CG2-CG1 3.96Å; T478-V487 HydrophobicContact CG2-CG2 4.4Å; T478-I488 PolarHBondContact OG1-N 3.25Å; T478-D489 WeakPolarHBondContact CB-OD2 3.28Å; T478-D489 HydrophobicContact CG2-CB 4.2Å; T478-D489 WeakPolarHBondContact OG1-CB 3.46Å; T478-D489 PolarHBondContact OG1-N 3.11Å; T478-D489 PolarHBondContact OG1-OD2 2.81Å; T478-H529 CarbonylContact O-C 3.49Å; T478-H529 WeakPolarHBondContact O-CA 3.41Å; T478-F530 PolarHBondContact O-N 3.25Å; T478-L532 HydrophobicContact CG2-CD1 4.42Å; T478-L532 HydrophobicContact CG2-CD2 3.86Å; T478-L532 HydrophobicContact CG2-CG 4.5Å
479	N	98.4	Very high	95.9	Very high	10 Å²	10	47 Å²	47	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134	165.5	-178.2	-71.2	0	0	0	109.6	T481 F484 K485 G486 I488 D528 H529	N479-T481 WeakPolarHBondContact OD1-CG2 3.33Å; N479-F484 HydrophobicContact CB-CD1 4.24Å; N479-F484 HydrophobicContact CB-CE1 4.09Å; N479-F484 WeakPolarHBondContact OD1-CD1 3.47Å; N479-K485 WeakPolarHBondContact O-CA 3.48Å; N479-G486 PolarHBondContact N-O 3.43Å; N479-G486 PolarHBondContact O-N 3.47Å; N479-G486 VanDerWaalsContact O-N 3.12Å; N479-I488 HydrophobicContact CB-CD1 3.63Å; N479-I488 HydrophobicContact CB-CG1 3.82Å; N479-D528 WeakPolarHBondContact CA-O 3.47Å; N479-D528 PolarHBondContact ND2-OD2 3.41Å; N479-H529 PolarHBondContact ND2-CD2 3.44Å; N479-H529 PolarHBondContact ND2-CE1 2.69Å; N479-H529 PolarHBondContact ND2-NE2 2.91Å
480	Y	98	Very high	95.9	Very high	23 Å²	23	47.3 Å²	47.3	9%	0.09	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	92.6	-177.3	-172.1	-83	0	0	0	109.5	Y477 K485 L512 I517 C520 D528 F530	Y477-Y480 HydrophobicContact CD1-CD2 4.12Å; Y477-Y480 AromaticContact CD2-CD2 3.84Å; Y477-Y480 HydrophobicContact CD2-CD2 3.84Å; Y477-Y480 HydrophobicContact CD2-CG 4.48Å; Y477-Y480 HydrophobicContact CE1-CD2 4.03Å; Y477-Y480 HydrophobicContact CE1-CE2 4.13Å; Y477-Y480 AromaticContact CE2-CD2 3.75Å; Y477-Y480 HydrophobicContact CE2-CD2 3.75Å; Y477-Y480 HydrophobicContact CE2-CE2 4.36Å; Y477-Y480 HydrophobicContact CE2-CG 4.49Å; Y477-Y480 HydrophobicContact CG-CD2 4.04Å; Y477-Y480 AromaticContact CZ-CD2 3.85Å; Y480-K485 HydrophobicContact CD2-CB 4.46Å; Y480-K485 HydrophobicContact CD2-CD 3.83Å; Y480-K485 HydrophobicContact CD2-CG 3.79Å; Y480-K485 HydrophobicContact CE2-CD 3.54Å; Y480-K485 HydrophobicContact CE2-CG 4.06Å; Y480-K485 HydrophobicContact CG-CG 4.26Å; Y480-K485 WeakPolarHBondContact OH-CE 3.09Å; Y480-L512 HydrophobicContact CD2-CD1 4.41Å; Y480-L512 HydrophobicContact CE1-CD1 4.46Å; Y480-L512 HydrophobicContact CE2-CD1 3.91Å; Y480-I517 HydrophobicContact CE1-CG2 4.39Å; Y480-I517 PolarHBondContact OH-O 2.84Å; Y480-C520 WeakPolarHBondContact O-CA 3.49Å; Y480-C520 WeakPolarHBondContact O-CB 3.25Å; Y480-C520 PolarHBondContact O-N 3.3Å; Y480-D528 PolarHBondContact N-O 2.69Å; Y480-F530 HydrophobicContact CG-CE2 4.25Å
481	T	97.2	Very high	95.9	Very high	20 Å²	20	46 Å²	46	12%	0.123	24%	0.236	C	C	.	.			trans	-112.5	176.8	171.7	61.2	0	0	0	0	110.2	Y207 Y209 N479 F484 K485 D528	Y207-T481 HydrophobicContact CE1-CG2 4.02Å; Y209-T481 WeakPolarHBondContact OH-CA 3.37Å; Y209-T481 WeakPolarHBondContact OH-CB 3.33Å; N479-T481 WeakPolarHBondContact OD1-CG2 3.33Å; T481-F484 PolarHBondContact N-O 2.86Å; T481-F484 PolarHBondContact OG1-N 2.9Å; T481-F484 VanDerWaalsContact OG1-N 3.09Å; T481-F484 PolarHBondContact OG1-O 3.25Å; T481-K485 PolarHBondContact O-NZ 3.49Å; T481-D528 HydrophobicContact CG2-CB 3.69Å
482	F	95	Very high	96.3	Very high	46 Å²	46	42.2 Å²	42.2	20%	0.202	22%	0.218	C	C	.	.	S	Bend	trans	-59.4	-51.6	174.5	172.8	-103	0	0	0	111.9	V102 F125 Y209 K485	V102-F482 HydrophobicContact CB-CE2 4.4Å; V102-F482 HydrophobicContact CG2-CE2 3.69Å; F125-F482 HydrophobicContact CE1-CD2 4.19Å; F125-F482 HydrophobicContact CE1-CE2 4.45Å; F125-F482 HydrophobicContact CE1-CG 4.46Å; F125-F482 HydrophobicContact CE2-CD1 4.12Å; F125-F482 HydrophobicContact CE2-CE1 4.43Å; F125-F482 HydrophobicContact CE2-CG 4.25Å; F125-F482 HydrophobicContact CZ-CB 4.15Å; F125-F482 AromaticContact CZ-CD1 3.76Å; F125-F482 HydrophobicContact CZ-CD1 3.76Å; F125-F482 AromaticContact CZ-CD2 3.58Å; F125-F482 HydrophobicContact CZ-CD2 3.58Å; F125-F482 HydrophobicContact CZ-CE1 4.06Å; F125-F482 AromaticContact CZ-CE2 3.85Å; F125-F482 HydrophobicContact CZ-CE2 3.85Å; F125-F482 AromaticContact CZ-CG 3.53Å; F125-F482 HydrophobicContact CZ-CG 3.53Å; F125-F482 HydrophobicContact CZ-CZ 4.07Å; Y209-F482 HydrophobicContact CD1-CB 3.78Å; Y209-F482 HydrophobicContact CE1-CB 3.43Å; Y209-F482 VanDerWaalsContact CE1-CB 3.43Å; Y209-F482 PolarHBondContact OH-N 2.8Å; F482-K485 PolarHBondContact O-NZ 2.86Å
483	D	93	Very high	96.8	Very high	143 Å²	143	35.6 Å²	35.6	77%	0.765	18%	0.182	S	C	*	.	S	Bend	trans	-84.6	-22.3	-174.5	-65.3	-54.6	0	0	0	113.8
484	F	96.3	Very high	97.2	Very high	75 Å²	75	28.7 Å²	28.7	33%	0.329	15%	0.145	S	C	.	.			trans	-135.7	132.6	-176.4	178.7	-102.2	0	0	0	112.5	L414 N479 T481 I488	L414-F484 HydrophobicContact CD2-CE2 4.17Å; L414-F484 HydrophobicContact CD2-CZ 3.88Å; N479-F484 HydrophobicContact CB-CD1 4.24Å; N479-F484 HydrophobicContact CB-CE1 4.09Å; N479-F484 WeakPolarHBondContact OD1-CD1 3.47Å; T481-F484 PolarHBondContact N-O 2.86Å; T481-F484 PolarHBondContact OG1-N 2.9Å; T481-F484 VanDerWaalsContact OG1-N 3.09Å; T481-F484 PolarHBondContact OG1-O 3.25Å; F484-I488 HydrophobicContact CE1-CD1 4.16Å; F484-I488 HydrophobicContact CE1-CG1 4.49Å; F484-I488 HydrophobicContact CE1-CG2 3.91Å; F484-I488 HydrophobicContact CZ-CG2 3.71Å
485	K	97.3	Very high	97.1	Very high	94 Å²	94	31.8 Å²	31.8	41%	0.409	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	114.1	172.8	-63.8	173.8	175.1	62.6	0	107.7	N479 Y480 T481 F482 T518	N479-K485 WeakPolarHBondContact O-CA 3.48Å; Y480-K485 HydrophobicContact CD2-CB 4.46Å; Y480-K485 HydrophobicContact CD2-CD 3.83Å; Y480-K485 HydrophobicContact CD2-CG 3.79Å; Y480-K485 HydrophobicContact CE2-CD 3.54Å; Y480-K485 HydrophobicContact CE2-CG 4.06Å; Y480-K485 HydrophobicContact CG-CG 4.26Å; Y480-K485 WeakPolarHBondContact OH-CE 3.09Å; T481-K485 PolarHBondContact O-NZ 3.49Å; F482-K485 PolarHBondContact O-NZ 2.86Å; K485-T518 PolarHBondContact NZ-O 2.85Å; K485-T518 VanDerWaalsContact NZ-O 3.08Å
486	G	97.1	Very high	97	Very high	6 Å²	6	34.8 Å²	34.8	6%	0.062	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	166.9	-175.1	0	0	0	0	0	113.8	Y477 T478 N479	Y477-G486 WeakPolarHBondContact CA-O 3.4Å; T478-G486 PolarHBondContact N-O 3.3Å; N479-G486 PolarHBondContact N-O 3.43Å; N479-G486 PolarHBondContact O-N 3.47Å; N479-G486 VanDerWaalsContact O-N 3.12Å
487	V	98.2	Very high	96.8	Very high	23 Å²	23	33.4 Å²	33.4	14%	0.139	16%	0.164	C	C	.	.			trans	-88.5	115.2	174.5	178.7	0	0	0	0	108	P415 M475 T478 Y490	P415-V487 HydrophobicContact CG-CB 4.11Å; P415-V487 HydrophobicContact CG-CG1 4.43Å; M475-V487 WeakPolarHBondContact O-CG2 3.28Å; T478-V487 HydrophobicContact CG2-CB 4.4Å; T478-V487 HydrophobicContact CG2-CG1 3.96Å; T478-V487 HydrophobicContact CG2-CG2 4.4Å; V487-Y490 HydrophobicContact CG1-CD1 4.5Å; V487-Y490 HydrophobicContact CG1-CE1 3.79Å; V487-Y490 PolarHBondContact O-OH 2.88Å; V487-Y490 VanDerWaalsContact O-OH 3.06Å
488	I	98.3	Very high	96.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.036	16%	0.16	C	C	.	.			trans	-132.9	-11.5	176.7	59.5	170.9	0	0	0	113.1	L411 L414 T478 N479 F484 Y490	L411-I488 PolarHBondContact N-O 3.27Å; L414-I488 HydrophobicContact CD2-CG2 4.41Å; T478-I488 PolarHBondContact OG1-N 3.25Å; N479-I488 HydrophobicContact CB-CD1 3.63Å; N479-I488 HydrophobicContact CB-CG1 3.82Å; F484-I488 HydrophobicContact CE1-CD1 4.16Å; F484-I488 HydrophobicContact CE1-CG1 4.49Å; F484-I488 HydrophobicContact CE1-CG2 3.91Å; F484-I488 HydrophobicContact CZ-CG2 3.71Å; I488-Y490 VanDerWaalsContact O-CD2 3.27Å; I488-Y490 WeakPolarHBondContact O-CD2 3.41Å; I488-Y490 VanDerWaalsContact O-CE2 3.29Å; I488-Y490 WeakPolarHBondContact O-CE2 3.32Å
489	D	98.8	Very high	96.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.6	174.4	-53.5	-89.4	0	0	0	109.8	A409 T478 H529 L532	A409-D489 CarbonylContact O-C 3.3Å; A409-D489 WeakPolarHBondContact O-CA 3.42Å; T478-D489 WeakPolarHBondContact CB-OD2 3.28Å; T478-D489 HydrophobicContact CG2-CB 4.2Å; T478-D489 WeakPolarHBondContact OG1-CB 3.46Å; T478-D489 PolarHBondContact OG1-N 3.11Å; T478-D489 PolarHBondContact OG1-OD2 2.81Å; D489-H529 IonicContact OD1-CE1 3.14Å; D489-H529 IonicContact OD1-ND1 3.22Å; D489-H529 PolarHBondContact OD1-ND1 3.27Å; D489-H529 VanDerWaalsContact OD1-ND1 3.15Å; D489-H529 IonicContact OD2-CE1 2.69Å; D489-H529 IonicContact OD2-CG 4Å; D489-H529 IonicContact OD2-ND1 2.65Å; D489-H529 PolarHBondContact OD2-ND1 2.8Å; D489-L532 HydrophobicContact CB-CD1 4.05Å; D489-L532 WeakPolarHBondContact O-CD1 3.39Å
490	Y	98.7	Very high	96.5	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.039	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.1	-173.2	-61.3	-92.3	0	0	0	112.5	C408 A409 L411 S413 P415 V420 V487 I488 F492	C408-Y490 CarbonylContact C-O 3.56Å; C408-Y490 WeakPolarHBondContact CA-O 3.22Å; A409-Y490 PolarHBondContact N-O 2.95Å; A409-Y490 PolarHBondContact O-N 3.36Å; L411-Y490 HydrophobicContact CB-CD2 3.97Å; L411-Y490 HydrophobicContact CB-CE2 4.07Å; L411-Y490 HydrophobicContact CD1-CD2 3.38Å; L411-Y490 HydrophobicContact CD1-CE2 3.89Å; L411-Y490 HydrophobicContact CD1-CG 3.93Å; L411-Y490 HydrophobicContact CG-CD2 3.76Å; L411-Y490 HydrophobicContact CG-CE2 4.31Å; S413-Y490 WeakPolarHBondContact O-CE2 3.35Å; S413-Y490 PolarHBondContact O-OH 2.99Å; P415-Y490 WeakPolarHBondContact CD-OH 3.39Å; V420-Y490 HydrophobicContact CG2-CE1 4.04Å; V420-Y490 HydrophobicContact CG2-CE2 4.12Å; V487-Y490 HydrophobicContact CG1-CD1 4.5Å; V487-Y490 HydrophobicContact CG1-CE1 3.79Å; V487-Y490 PolarHBondContact O-OH 2.88Å; V487-Y490 VanDerWaalsContact O-OH 3.06Å; I488-Y490 VanDerWaalsContact O-CD2 3.27Å; I488-Y490 WeakPolarHBondContact O-CD2 3.41Å; I488-Y490 VanDerWaalsContact O-CE2 3.29Å; I488-Y490 WeakPolarHBondContact O-CE2 3.32Å; Y490-F492 AromaticContact CD1-CE2 3.9Å; Y490-F492 HydrophobicContact CD1-CE2 3.9Å; Y490-F492 HydrophobicContact CD1-CZ 4.28Å; Y490-F492 HydrophobicContact CG-CD2 4.5Å; Y490-F492 AromaticContact CG-CE2 3.77Å; Y490-F492 HydrophobicContact CG-CE2 3.77Å
491	I	98.8	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.5	162.9	-56.1	177.7	0	0	0	107.2	V191 C193 V406 L407 A469 L532 T534	V191-I491 HydrophobicContact CG1-CD1 4.38Å; V191-I491 HydrophobicContact CG1-CG2 4.27Å; V191-I491 WeakPolarHBondContact O-CD1 3.43Å; C193-I491 HydrophobicContact CB-CD1 3.94Å; C193-I491 HydrophobicContact CB-CG1 3.66Å; V406-I491 HydrophobicContact CG1-CG2 4.36Å; L407-I491 CarbonylContact O-C 3.56Å; L407-I491 WeakPolarHBondContact O-CA 3.13Å; A469-I491 HydrophobicContact CB-CB 4.19Å; A469-I491 HydrophobicContact CB-CG2 4.37Å; A469-I491 WeakPolarHBondContact CB-O 3.36Å; A469-I491 PolarHBondContact N-O 3.16Å; I491-L532 HydrophobicContact CD1-CB 3.8Å; I491-L532 HydrophobicContact CG1-CB 4.22Å; I491-L532 HydrophobicContact CG1-CD1 4.31Å; I491-T534 HydrophobicContact CB-CG2 4.39Å; I491-T534 HydrophobicContact CD1-CG2 3.81Å; I491-T534 HydrophobicContact CG2-CG2 3.83Å
492	F	98.7	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.2	171.2	-77.1	-90.2	0	0	0	110.7	V406 L407 L411 V420 L423 S424 L466 K467 Y490	V406-F492 CarbonylContact C-O 3.55Å; V406-F492 WeakPolarHBondContact CA-O 3.44Å; L407-F492 HydrophobicContact CB-CB 4.08Å; L407-F492 HydrophobicContact CD2-CB 4.44Å; L407-F492 HydrophobicContact CG-CB 4.48Å; L407-F492 PolarHBondContact N-O 3.23Å; L407-F492 PolarHBondContact O-N 3.17Å; L411-F492 HydrophobicContact CD1-CE2 3.97Å; V420-F492 HydrophobicContact CG1-CZ 4.36Å; L423-F492 HydrophobicContact CB-CD1 4.24Å; L423-F492 HydrophobicContact CB-CE1 3.86Å; L423-F492 HydrophobicContact CB-CE2 4.36Å; L423-F492 HydrophobicContact CB-CZ 3.92Å; L423-F492 HydrophobicContact CD1-CD2 4Å; L423-F492 HydrophobicContact CD1-CE2 3.67Å; L423-F492 HydrophobicContact CD1-CZ 4.03Å; S424-F492 WeakPolarHBondContact OG-CE1 3.4Å; L466-F492 HydrophobicContact CB-CB 4.45Å; L466-F492 HydrophobicContact CB-CD1 4.06Å; L466-F492 HydrophobicContact CD1-CB 4.43Å; K467-F492 CarbonylContact O-C 3.41Å; K467-F492 VanDerWaalsContact O-CA 3.32Å; K467-F492 WeakPolarHBondContact O-CA 3.17Å; Y490-F492 AromaticContact CD1-CE2 3.9Å; Y490-F492 HydrophobicContact CD1-CE2 3.9Å; Y490-F492 HydrophobicContact CD1-CZ 4.28Å; Y490-F492 HydrophobicContact CG-CD2 4.5Å; Y490-F492 AromaticContact CG-CE2 3.77Å; Y490-F492 HydrophobicContact CG-CE2 3.77Å
493	Y	98.3	Very high	96.7	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.043	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.9	177.6	69.9	-86.5	0	0	0	111.3	L405 L466 K467 A469 K495 M498 V500 L536	L405-Y493 CarbonylContact O-C 3.51Å; L405-Y493 WeakPolarHBondContact O-CA 3.47Å; L466-Y493 CarbonylContact C-O 3.49Å; L466-Y493 VanDerWaalsContact CA-O 3.3Å; L466-Y493 WeakPolarHBondContact CA-O 3.43Å; K467-Y493 HydrophobicContact CB-CE1 3.99Å; K467-Y493 HydrophobicContact CB-CE2 4.4Å; K467-Y493 WeakPolarHBondContact CD-OH 3.31Å; K467-Y493 HydrophobicContact CG-CE1 4.25Å; K467-Y493 PolarHBondContact N-O 3.31Å; K467-Y493 WeakPolarHBondContact O-CD1 3.48Å; K467-Y493 WeakPolarHBondContact O-CE1 3.49Å; K467-Y493 PolarHBondContact O-N 3.36Å; A469-Y493 HydrophobicContact CB-CD1 4.25Å; A469-Y493 HydrophobicContact CB-CE1 4.38Å; Y493-K495 HydrophobicContact CE2-CB 4.26Å; Y493-K495 PolarHBondContact O-N 2.73Å; Y493-M498 HydrophobicContact CD2-CB 3.88Å; Y493-M498 HydrophobicContact CE2-CB 4.47Å; Y493-M498 VanDerWaalsContact CE2-O 3.23Å; Y493-M498 WeakPolarHBondContact CE2-O 3.37Å; Y493-V500 HydrophobicContact CD1-CG2 3.97Å; Y493-V500 HydrophobicContact CE1-CG2 3.32Å; Y493-L536 HydrophobicContact CD1-CD2 4.33Å; Y493-L536 HydrophobicContact CG-CD2 4.24Å
494	S	96.3	Very high	97	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	106.4	175.2	-61	0	0	0	0	111.7	L405 T496 H497 M498	L405-S494 PolarHBondContact N-OG 3.42Å; L405-S494 PolarHBondContact O-N 2.94Å; L405-S494 PolarHBondContact O-OG 3.33Å; S494-T496 PolarHBondContact O-N 2.97Å; S494-H497 WeakPolarHBondContact CB-ND1 3.39Å; S494-H497 PolarHBondContact O-N 3.36Å; S494-H497 VanDerWaalsContact O-N 3.09Å; S494-M498 PolarHBondContact O-N 3.31Å
495	K	94.7	Very high	97.1	Very high	98 Å²	98	21.3 Å²	21.3	43%	0.426	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.3	-173.3	78.9	-163.3	179.7	-170.3	0	114.9	Q465 K467 Y493	Q465-K495 HydrophobicContact CB-CD 4.45Å; Q465-K495 HydrophobicContact CB-CG 4.14Å; Q465-K495 WeakPolarHBondContact O-CG 3.14Å; Q465-K495 PolarHBondContact O-N 2.92Å; K467-K495 HydrophobicContact CB-CB 3.94Å; K467-K495 HydrophobicContact CB-CD 4.31Å; K467-K495 HydrophobicContact CD-CB 4.48Å; Y493-K495 HydrophobicContact CE2-CB 4.26Å; Y493-K495 PolarHBondContact O-N 2.73Å
496	T	92.3	Very high	97.1	Very high	72 Å²	72	18.2 Å²	18.2	44%	0.442	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.3	174.2	51	0	0	0	0	113	Q465 S494	Q465-T496 HydrophobicContact CB-CG2 3.96Å; Q465-T496 VanDerWaalsContact CD-CG2 3.42Å; Q465-T496 HydrophobicContact CG-CG2 4.22Å; Q465-T496 VanDerWaalsContact OE1-CG2 3.27Å; S494-T496 PolarHBondContact O-N 2.97Å
497	H	92.3	Very high	96.9	Very high	33 Å²	33	18.3 Å²	18.3	15%	0.153	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-27.7	-173.5	-56.6	109.1	0	0	0	112.7	N401 P404 S494 L538 H539	N401-H497 PolarHBondContact O-CE1 2.91Å; N401-H497 PolarHBondContact O-NE2 2.82Å; P404-H497 HydrophobicContact CB-CB 3.74Å; P404-H497 HydrophobicContact CG-CB 3.74Å; S494-H497 WeakPolarHBondContact CB-ND1 3.39Å; S494-H497 PolarHBondContact O-N 3.36Å; S494-H497 VanDerWaalsContact O-N 3.09Å; H497-L538 HydrophobicContact CB-CD1 4.2Å; H497-H539 PolarHBondContact O-CD2 3.38Å; H497-H539 PolarHBondContact O-N 2.85Å
498	M	95.3	Very high	96.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.5	-170.6	-65.2	175.2	-74.6	0	0	112.4	F189 L354 P404 L405 V406 Y493 S494 L536 E537 L538	F189-M498 HydrophobicContact CZ-SD 4.04Å; L354-M498 HydrophobicContact CD1-SD 4.47Å; P404-M498 HydrophobicContact CB-CE 3.81Å; P404-M498 HydrophobicContact CB-SD 4.44Å; L405-M498 WeakPolarHBondContact O-CE 3.21Å; V406-M498 HydrophobicContact CG2-CE 3.83Å; V406-M498 HydrophobicContact CG2-SD 4.03Å; Y493-M498 HydrophobicContact CD2-CB 3.88Å; Y493-M498 HydrophobicContact CE2-CB 4.47Å; Y493-M498 VanDerWaalsContact CE2-O 3.23Å; Y493-M498 WeakPolarHBondContact CE2-O 3.37Å; S494-M498 PolarHBondContact O-N 3.31Å; M498-L536 HydrophobicContact SD-CB 4.47Å; M498-L536 HydrophobicContact SD-CD1 3.97Å; M498-E537 CarbonylContact C-O 3.48Å; M498-E537 WeakPolarHBondContact CA-O 3.48Å; M498-L538 HydrophobicContact CG-CB 4.02Å; M498-L538 HydrophobicContact CG-CD1 3.68Å; M498-L538 HydrophobicContact CG-CG 4.48Å; M498-L538 HydrophobicContact SD-CD1 4.38Å
499	N	95.4	Very high	96.5	Very high	47 Å²	47	23.7 Å²	23.7	25%	0.251	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.4	164.6	-64.8	-51.8	0	0	0	110	K178 L536 E537 H539	K178-N499 HydrophobicContact CD-CB 4.35Å; K178-N499 PolarHBondContact NZ-ND2 3.47Å; N499-L536 WeakPolarHBondContact O-CA 3.36Å; N499-E537 PolarHBondContact N-O 3.25Å; N499-E537 PolarHBondContact O-N 3.38Å; N499-H539 PolarHBondContact ND2-NE2 2.8Å
500	V	97.6	Very high	96.2	Very high	12 Å²	12	28.2 Å²	28.2	7%	0.073	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.6	168.9	-177.9	0	0	0	0	108.8	L177 A469 Y493 V503 T534 L536	L177-V500 HydrophobicContact CD1-CB 4.41Å; L177-V500 HydrophobicContact CD1-CG1 3.81Å; A469-V500 HydrophobicContact CB-CG2 3.9Å; Y493-V500 HydrophobicContact CD1-CG2 3.97Å; Y493-V500 HydrophobicContact CE1-CG2 3.32Å; V500-V503 HydrophobicContact CG1-CG1 3.88Å; V500-T534 WeakPolarHBondContact CG1-OG1 3.37Å; V500-L536 HydrophobicContact CG2-CD2 3.82Å
501	L	97.5	Very high	96	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-38.3	174.1	-61.4	-176.3	0	0	0	111.4	L177 K178 R180 Q535 E537	L177-L501 PolarHBondContact N-O 2.89Å; K178-L501 HydrophobicContact CB-CD2 4.49Å; K178-L501 PolarHBondContact N-O 3.26Å; K178-L501 WeakPolarHBondContact O-CA 3.49Å; R180-L501 HydrophobicContact CB-CD1 4.21Å; R180-L501 HydrophobicContact CB-CD2 4.47Å; R180-L501 HydrophobicContact CG-CD1 4.37Å; L501-Q535 HydrophobicContact CB-CB 4.3Å; L501-Q535 HydrophobicContact CB-CG 4.19Å; L501-Q535 HydrophobicContact CD1-CG 4.13Å; L501-Q535 PolarHBondContact N-O 3.28Å; L501-E537 HydrophobicContact CD1-CB 3.97Å; L501-E537 HydrophobicContact CD2-CB 3.81Å; L501-E537 HydrophobicContact CD2-CG 4.49Å; L501-E537 HydrophobicContact CG-CB 3.78Å
502	G	98.2	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	170.3	177.9	0	0	0	0	0	113.1	I175 T534 Q535	I175-G502 CarbonylContact O-C 3.53Å; I175-G502 WeakPolarHBondContact O-CA 3.3Å; G502-T534 WeakPolarHBondContact O-CA 3.34Å; G502-T534 PolarHBondContact O-OG1 2.76Å; G502-Q535 PolarHBondContact O-N 2.94Å
503	V	98.6	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.5	179.9	-61.9	0	0	0	0	111.5	I175 L177 Y470 L474 V500 G505 L533	I175-V503 HydrophobicContact CB-CG2 4.08Å; I175-V503 PolarHBondContact N-O 2.96Å; I175-V503 PolarHBondContact O-N 3.06Å; L177-V503 HydrophobicContact CD1-CG1 4.32Å; Y470-V503 HydrophobicContact CD1-CB 4.46Å; Y470-V503 HydrophobicContact CD1-CG2 4.4Å; Y470-V503 HydrophobicContact CD2-CG1 4.4Å; Y470-V503 HydrophobicContact CE1-CB 3.86Å; Y470-V503 HydrophobicContact CE1-CG1 4.39Å; Y470-V503 HydrophobicContact CE1-CG2 4.04Å; Y470-V503 HydrophobicContact CE2-CB 4.26Å; Y470-V503 HydrophobicContact CE2-CG1 4.12Å; L474-V503 HydrophobicContact CD1-CG2 4.1Å; V500-V503 HydrophobicContact CG1-CG1 3.88Å; V503-G505 PolarHBondContact O-N 3.07Å; V503-L533 CarbonylContact C-O 3.53Å; V503-L533 VanDerWaalsContact CA-O 3.31Å; V503-L533 WeakPolarHBondContact CA-O 3.5Å
504	L	98.3	Very high	95	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.3	166.5	-174.9	67.6	0	0	0	109.2	R172 W174 Y470 L533	R172-L504 HydrophobicContact CB-CD1 3.68Å; R172-L504 HydrophobicContact CB-CD2 4.48Å; R172-L504 HydrophobicContact CB-CG 3.99Å; W174-L504 HydrophobicContact CE3-CB 4.42Å; W174-L504 HydrophobicContact CZ3-CB 4.45Å; Y470-L504 VanDerWaalsContact CE1-O 3.28Å; Y470-L504 WeakPolarHBondContact CE1-O 3.24Å; Y470-L504 PolarHBondContact OH-O 3.49Å; L504-L533 HydrophobicContact CB-CB 3.76Å; L504-L533 HydrophobicContact CB-CD2 4.47Å; L504-L533 HydrophobicContact CD2-CB 4.17Å; L504-L533 PolarHBondContact N-O 3.44Å
505	G	97.8	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.			trans	-72.1	-174	-179.6	0	0	0	0	0	113.9	R172 P173 V503	R172-G505 PolarHBondContact NE-O 3.25Å; R172-G505 PolarHBondContact NH2-O 3.29Å; P173-G505 WeakPolarHBondContact O-CA 3.26Å; P173-G505 PolarHBondContact O-N 3.12Å; V503-G505 PolarHBondContact O-N 3.07Å
506	P	97	Very high	94.5	Very high	29 Å²	29	38.5 Å²	38.5	19%	0.188	21%	0.208	C	C	.	.			trans	-76.8	160.3	-176.2	32.2	-33.8	0	0	0	111.8	P173 L474 M475 P476	P173-P506 VanDerWaalsContact CD-O 3.26Å; P173-P506 WeakPolarHBondContact CD-O 3.21Å; L474-P506 WeakPolarHBondContact O-CD 3.18Å; M475-P506 WeakPolarHBondContact SD-CA 3.16Å; M475-P506 HydrophobicContact SD-CB 3.63Å; P476-P506 HydrophobicContact CG-CB 4.29Å
507	L	94.6	Very high	94.5	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	19%	0.188	C	C	.	.			trans	-64	142.5	159.2	-169.4	68.6	0	0	0	108.7	L169 P170 R172 P509 W511 L512 I525 F530	L169-L507 HydrophobicContact CD1-CD1 3.79Å; L169-L507 HydrophobicContact CD1-CD2 4.13Å; P170-L507 HydrophobicContact CG-CD1 3.73Å; P170-L507 HydrophobicContact CG-CG 4.45Å; P170-L507 WeakPolarHBondContact O-CD1 3.49Å; R172-L507 HydrophobicContact CG-CB 4.36Å; R172-L507 HydrophobicContact CG-CD1 4.24Å; L507-P509 WeakPolarHBondContact O-CD 3.42Å; L507-W511 HydrophobicContact CD2-CE3 3.68Å; L507-W511 HydrophobicContact CD2-CZ3 3.61Å; L507-W511 HydrophobicContact CG-CE3 4.23Å; L507-L512 HydrophobicContact CD2-CD2 3.99Å; L507-L512 HydrophobicContact CD2-CG 4.28Å; L507-I525 HydrophobicContact CD2-CD1 3.77Å; L507-F530 HydrophobicContact CB-CE1 4.39Å; L507-F530 HydrophobicContact CD2-CE1 4.19Å
508	D	93.5	Very high	94.5	Very high	82 Å²	82	35.6 Å²	35.6	44%	0.439	19%	0.192	S	C	.	.			trans	-55	114.9	179.1	-176.7	-0	0	0	0	110.6	P170 Q510 W511 L512	P170-D508 HydrophobicContact CG-CB 4.33Å; D508-Q510 PolarHBondContact O-N 3.42Å; D508-Q510 WeakPolarHBondContact OD1-CB 3.46Å; D508-Q510 PolarHBondContact OD1-N 2.96Å; D508-W511 HydrophobicContact CB-CB 4.08Å; D508-W511 WeakPolarHBondContact O-CB 3.21Å; D508-W511 PolarHBondContact O-N 3.09Å; D508-W511 VanDerWaalsContact O-N 3.16Å; D508-L512 PolarHBondContact O-N 3.2Å
509	P	93.1	Very high	94.6	Very high	61 Å²	61	35.5 Å²	35.5	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-30.2	178.8	-23.2	34.9	0	0	0	112.6	L507 W511 L512 V513	L507-P509 WeakPolarHBondContact O-CD 3.42Å; P509-W511 VanDerWaalsContact C-N 3.32Å; P509-W511 PolarHBondContact O-N 2.84Å; P509-L512 PolarHBondContact O-N 3.04Å; P509-V513 WeakPolarHBondContact O-CG2 3.19Å; P509-V513 PolarHBondContact O-N 3.28Å
510	Q	93.3	Very high	94.7	Very high	97 Å²	97	33.3 Å²	33.3	45%	0.453	18%	0.179	S	C	.	.	H	α-helix	trans	-66.7	-37.7	178.9	-176.4	59.6	23.8	0	0	111.1	D508 L512 V513 E514	D508-Q510 PolarHBondContact O-N 3.42Å; D508-Q510 WeakPolarHBondContact OD1-CB 3.46Å; D508-Q510 PolarHBondContact OD1-N 2.96Å; Q510-L512 VanDerWaalsContact C-N 3.33Å; Q510-L512 PolarHBondContact O-N 3.39Å; Q510-V513 PolarHBondContact O-N 2.78Å; Q510-E514 HydrophobicContact CG-CG 4.29Å; Q510-E514 VanDerWaalsContact CG-OE1 3.3Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.48Å; Q510-E514 PolarHBondContact NE2-OE1 2.96Å; Q510-E514 WeakPolarHBondContact O-CB 3.36Å; Q510-E514 WeakPolarHBondContact O-CG 3.45Å; Q510-E514 PolarHBondContact O-N 3.15Å
511	W	93.5	Very high	94.7	Very high	17 Å²	17	32.7 Å²	32.7	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-40.4	175.4	178.2	87	0	0	0	112.4	Q168 L169 P170 L507 D508 P509 V513 E514 N515 I517 H524 I525	Q168-W511 PolarHBondContact O-NE1 3.02Å; L169-W511 HydrophobicContact CD1-CH2 3.7Å; L169-W511 HydrophobicContact CD1-CZ2 4.17Å; L169-W511 HydrophobicContact CD1-CZ3 4Å; P170-W511 HydrophobicContact CG-CB 3.94Å; P170-W511 HydrophobicContact CG-CD2 4.05Å; P170-W511 HydrophobicContact CG-CG 3.7Å; L507-W511 HydrophobicContact CD2-CE3 3.68Å; L507-W511 HydrophobicContact CD2-CZ3 3.61Å; L507-W511 HydrophobicContact CG-CE3 4.23Å; D508-W511 HydrophobicContact CB-CB 4.08Å; D508-W511 WeakPolarHBondContact O-CB 3.21Å; D508-W511 PolarHBondContact O-N 3.09Å; D508-W511 VanDerWaalsContact O-N 3.16Å; P509-W511 VanDerWaalsContact C-N 3.32Å; P509-W511 PolarHBondContact O-N 2.84Å; W511-V513 VanDerWaalsContact C-N 3.31Å; W511-V513 PolarHBondContact O-N 2.95Å; W511-E514 PolarHBondContact O-N 3.13Å; W511-N515 PolarHBondContact NE1-ND2 2.78Å; W511-N515 VanDerWaalsContact NE1-ND2 3.12Å; W511-N515 WeakPolarHBondContact O-CB 3.2Å; W511-N515 PolarHBondContact O-N 3.02Å; W511-N515 PolarHBondContact O-ND2 3.37Å; W511-I517 HydrophobicContact CE3-CD1 3.96Å; W511-I517 HydrophobicContact CH2-CD1 3.38Å; W511-I517 HydrophobicContact CZ2-CD1 4.2Å; W511-I517 HydrophobicContact CZ3-CD1 3.23Å; W511-H524 HydrophobicContact CH2-CB 4.02Å; W511-H524 AromaticContact CH2-CD2 3.78Å; W511-H524 AromaticContact CZ2-CD2 3.95Å; W511-I525 HydrophobicContact CZ3-CD1 4.23Å
512	L	93.2	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-42	175.5	-67.9	168.6	0	0	0	111.2	Y477 Y480 L507 D508 P509 Q510 N516 I517 I525	Y477-L512 HydrophobicContact CE2-CD1 4.3Å; Y477-L512 WeakPolarHBondContact OH-CD1 3.25Å; Y480-L512 HydrophobicContact CD2-CD1 4.41Å; Y480-L512 HydrophobicContact CE1-CD1 4.46Å; Y480-L512 HydrophobicContact CE2-CD1 3.91Å; L507-L512 HydrophobicContact CD2-CD2 3.99Å; L507-L512 HydrophobicContact CD2-CG 4.28Å; D508-L512 PolarHBondContact O-N 3.2Å; P509-L512 PolarHBondContact O-N 3.04Å; Q510-L512 VanDerWaalsContact C-N 3.33Å; Q510-L512 PolarHBondContact O-N 3.39Å; L512-N516 PolarHBondContact O-N 3.18Å; L512-I517 HydrophobicContact CB-CB 4.44Å; L512-I517 HydrophobicContact CD2-CB 3.85Å; L512-I517 HydrophobicContact CD2-CD1 3.96Å; L512-I517 HydrophobicContact CD2-CG2 3.73Å; L512-I517 PolarHBondContact O-N 3.34Å; L512-I525 HydrophobicContact CD2-CD1 4.19Å
513	V	91.1	Very high	94.4	Very high	97 Å²	97	34.3 Å²	34.3	59%	0.588	18%	0.184	S	C	*	.	H	α-helix	trans	-67	-49	178.2	175.1	0	0	0	0	111.2	P509 Q510 W511 N515 N516	P509-V513 WeakPolarHBondContact O-CG2 3.19Å; P509-V513 PolarHBondContact O-N 3.28Å; Q510-V513 PolarHBondContact O-N 2.78Å; W511-V513 VanDerWaalsContact C-N 3.31Å; W511-V513 PolarHBondContact O-N 2.95Å; V513-N515 PolarHBondContact O-N 3.32Å; V513-N516 PolarHBondContact O-N 2.81Å
514	E	90.9	Very high	94.2	Very high	125 Å²	125	35.8 Å²	35.8	58%	0.584	19%	0.191	S	C	*	.	H	α-helix	trans	-61.7	-33.6	-178.8	-73.6	175.2	-179.4	0	0	112.6	Q510 W511	Q510-E514 HydrophobicContact CG-CG 4.29Å; Q510-E514 VanDerWaalsContact CG-OE1 3.3Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.48Å; Q510-E514 PolarHBondContact NE2-OE1 2.96Å; Q510-E514 WeakPolarHBondContact O-CB 3.36Å; Q510-E514 WeakPolarHBondContact O-CG 3.45Å; Q510-E514 PolarHBondContact O-N 3.15Å; W511-E514 PolarHBondContact O-N 3.13Å
515	N	91	Very high	94.1	Very high	38 Å²	38	35.2 Å²	35.2	20%	0.203	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.3	177.9	-69.1	-80.9	0	0	0	113.7	Q168 W511 V513 I517	Q168-N515 PolarHBondContact OE1-OD1 3.26Å; W511-N515 PolarHBondContact NE1-ND2 2.78Å; W511-N515 VanDerWaalsContact NE1-ND2 3.12Å; W511-N515 WeakPolarHBondContact O-CB 3.2Å; W511-N515 PolarHBondContact O-N 3.02Å; W511-N515 PolarHBondContact O-ND2 3.37Å; V513-N515 PolarHBondContact O-N 3.32Å; N515-I517 VanDerWaalsContact C-N 3.29Å; N515-I517 HydrophobicContact CB-CD1 3.94Å; N515-I517 HydrophobicContact CB-CG1 3.98Å; N515-I517 PolarHBondContact O-N 3.03Å
516	N	90.1	Very high	94.1	Very high	61 Å²	61	35.9 Å²	35.9	33%	0.326	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	40	-179.3	-52.7	-79.5	0	0	0	113.2	N100 L512 V513 T518	N100-N516 PolarHBondContact ND2-OD1 3.42Å; N100-N516 WeakPolarHBondContact OD1-CB 3.45Å; N100-N516 VanDerWaalsContact OD1-CG 3.27Å; N100-N516 PolarHBondContact OD1-OD1 3.18Å; L512-N516 PolarHBondContact O-N 3.18Å; V513-N516 PolarHBondContact O-N 2.81Å; N516-T518 PolarHBondContact O-N 2.89Å
517	I	92.7	Very high	94.1	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.183	C	C	.	.			trans	-85.1	102.7	178.8	-60.8	173	0	0	0	108.8	Y480 W511 L512 N515 H522	Y480-I517 HydrophobicContact CE1-CG2 4.39Å; Y480-I517 PolarHBondContact OH-O 2.84Å; W511-I517 HydrophobicContact CE3-CD1 3.96Å; W511-I517 HydrophobicContact CH2-CD1 3.38Å; W511-I517 HydrophobicContact CZ2-CD1 4.2Å; W511-I517 HydrophobicContact CZ3-CD1 3.23Å; L512-I517 HydrophobicContact CB-CB 4.44Å; L512-I517 HydrophobicContact CD2-CB 3.85Å; L512-I517 HydrophobicContact CD2-CD1 3.96Å; L512-I517 HydrophobicContact CD2-CG2 3.73Å; L512-I517 PolarHBondContact O-N 3.34Å; N515-I517 VanDerWaalsContact C-N 3.29Å; N515-I517 HydrophobicContact CB-CD1 3.94Å; N515-I517 HydrophobicContact CB-CG1 3.98Å; N515-I517 PolarHBondContact O-N 3.03Å; I517-H522 HydrophobicContact CG2-CB 4.4Å
518	T	92.1	Very high	94.3	Very high	38 Å²	38	34.7 Å²	34.7	23%	0.233	18%	0.184	C	C	.	.			trans	-83.3	-22.8	-175.9	54.1	0	0	0	0	113.6	V102 K485 N516	V102-T518 HydrophobicContact CG1-CG2 4.03Å; V102-T518 HydrophobicContact CG2-CG2 4.29Å; K485-T518 PolarHBondContact NZ-O 2.85Å; K485-T518 VanDerWaalsContact NZ-O 3.08Å; N516-T518 PolarHBondContact O-N 2.89Å
519	G	96.3	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-168.8	166.6	179	0	0	0	0	0	111.8	Y209	Y209-G519 WeakPolarHBondContact CE2-O 3.03Å
520	C	97.5	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-114.1	157.5	170.4	-59.2	0	0	0	0	109.3	Y209 Y480 I525 S527 D528	Y209-C520 PolarHBondContact OH-O 2.81Å; Y480-C520 WeakPolarHBondContact O-CA 3.49Å; Y480-C520 WeakPolarHBondContact O-CB 3.25Å; Y480-C520 PolarHBondContact O-N 3.3Å; C520-I525 HydrophobicContact CB-CB 4.4Å; C520-I525 HydrophobicContact CB-CG2 4.1Å; C520-I525 WeakPolarHBondContact SG-CD1 3.18Å; C520-S527 VanDerWaalsContact CB-O 3.3Å; C520-S527 WeakPolarHBondContact CB-O 3.36Å; C520-D528 WeakPolarHBondContact O-CB 3.34Å
521	P	97.8	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	S	Bend	cis	-59.5	152.4	-1.2	-19.4	32.8	0	0	0	112.2	L197 Y207 C210 L215 I525	L197-P521 HydrophobicContact CD2-CG 3.24Å; Y207-P521 VanDerWaalsContact CD1-CD 3.42Å; C210-P521 VanDerWaalsContact CB-O 3.23Å; C210-P521 WeakPolarHBondContact CB-O 3.45Å; C210-P521 PolarHBondContact SG-O 2.85Å; L215-P521 HydrophobicContact CD2-CB 4.26Å; L215-P521 HydrophobicContact CD2-CG 4.18Å; P521-I525 CarbonylContact C-O 3.58Å; P521-I525 VanDerWaalsContact CA-O 3.26Å; P521-I525 WeakPolarHBondContact CA-O 3.11Å
522	H	96	Very high	95.3	Very high	33 Å²	33	23.3 Å²	23.3	15%	0.153	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-138.8	156.8	178.6	-174.6	-95.5	0	0	0	106.9	I517 H524 I525	I517-H522 HydrophobicContact CG2-CB 4.4Å; H522-H524 AromaticContact CE1-CD2 3.47Å; H522-H524 PolarHBondContact CE1-CD2 2.88Å; H522-H524 VanDerWaalsContact CE1-CD2 3.47Å; H522-H524 AromaticContact ND1-CD2 3.45Å; H522-H524 PolarHBondContact ND1-CD2 2.84Å; H522-H524 AromaticContact ND1-CG 3.99Å; H522-H524 PolarHBondContact ND1-N 3.13Å; H522-H524 PolarHBondContact O-N 2.99Å; H522-I525 HydrophobicContact CB-CB 4.42Å; H522-I525 PolarHBondContact N-O 3.4Å; H522-I525 CarbonylContact O-C 3.2Å; H522-I525 VanDerWaalsContact O-C 3.28Å; H522-I525 PolarHBondContact O-N 3.45Å
523	P	94.9	Very high	95.6	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-26.7	174	-35.2	36.5	0	0	0	116.6	V164 P211 W213 A214 Y219	V164-P523 HydrophobicContact CB-CB 4.41Å; V164-P523 HydrophobicContact CG1-CB 3.6Å; V164-P523 HydrophobicContact CG1-CG 4.35Å; V164-P523 HydrophobicContact CG2-CB 4.01Å; V164-P523 HydrophobicContact CG2-CG 3.88Å; P211-P523 HydrophobicContact CG-CG 4.06Å; W213-P523 HydrophobicContact CH2-CB 3.67Å; W213-P523 HydrophobicContact CH2-CG 3.7Å; W213-P523 HydrophobicContact CZ2-CG 4.17Å; W213-P523 HydrophobicContact CZ3-CB 4.12Å; W213-P523 HydrophobicContact CZ3-CG 4.31Å; A214-P523 HydrophobicContact CB-CB 4.35Å; A214-P523 HydrophobicContact CB-CG 3.83Å; Y219-P523 PolarHBondContact OH-O 3.34Å; Y219-P523 VanDerWaalsContact OH-O 3.07Å
524	H	94.3	Very high	95.9	Very high	30 Å²	30	19.2 Å²	19.2	14%	0.139	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-18	175.7	-57.4	-55.3	0	0	0	114.6	V164 H165 P166 L169 W511 H522	V164-H524 VanDerWaalsContact CG1-CE1 3.43Å; V164-H524 WeakPolarHBondContact CG1-CE1 3.41Å; H165-H524 VanDerWaalsContact C-CE1 3.47Å; H165-H524 PolarHBondContact O-CE1 3.01Å; P166-H524 VanDerWaalsContact CA-CE1 3.48Å; P166-H524 WeakPolarHBondContact CA-CE1 3.25Å; L169-H524 HydrophobicContact CD1-CB 4.25Å; W511-H524 HydrophobicContact CH2-CB 4.02Å; W511-H524 AromaticContact CH2-CD2 3.78Å; W511-H524 AromaticContact CZ2-CD2 3.95Å; H522-H524 AromaticContact CE1-CD2 3.47Å; H522-H524 PolarHBondContact CE1-CD2 2.88Å; H522-H524 VanDerWaalsContact CE1-CD2 3.47Å; H522-H524 AromaticContact ND1-CD2 3.45Å; H522-H524 PolarHBondContact ND1-CD2 2.84Å; H522-H524 AromaticContact ND1-CG 3.99Å; H522-H524 PolarHBondContact ND1-N 3.13Å; H522-H524 PolarHBondContact O-N 2.99Å
525	I	96	Very high	96.3	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.051	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-132.4	101.4	-169.9	-56.2	163.1	0	0	0	107.3	L169 L507 W511 L512 C520 P521 H522 S527 F530	L169-I525 HydrophobicContact CD1-CG1 4.5Å; L507-I525 HydrophobicContact CD2-CD1 3.77Å; W511-I525 HydrophobicContact CZ3-CD1 4.23Å; L512-I525 HydrophobicContact CD2-CD1 4.19Å; C520-I525 HydrophobicContact CB-CB 4.4Å; C520-I525 HydrophobicContact CB-CG2 4.1Å; C520-I525 WeakPolarHBondContact SG-CD1 3.18Å; P521-I525 CarbonylContact C-O 3.58Å; P521-I525 VanDerWaalsContact CA-O 3.26Å; P521-I525 WeakPolarHBondContact CA-O 3.11Å; H522-I525 HydrophobicContact CB-CB 4.42Å; H522-I525 PolarHBondContact N-O 3.4Å; H522-I525 CarbonylContact O-C 3.2Å; H522-I525 VanDerWaalsContact O-C 3.28Å; H522-I525 PolarHBondContact O-N 3.45Å; I525-S527 VanDerWaalsContact C-N 3.28Å; I525-S527 WeakPolarHBondContact CG2-O 3.39Å; I525-S527 PolarHBondContact O-N 3.04Å; I525-F530 HydrophobicContact CD1-CE1 3.9Å; I525-F530 HydrophobicContact CD1-CZ 4.2Å; I525-F530 HydrophobicContact CG1-CE1 4.43Å; I525-F530 HydrophobicContact CG2-CD1 4.35Å; I525-F530 HydrophobicContact CG2-CE1 3.89Å
526	P	96.9	Very high	96.6	Very high	14 Å²	14	14.3 Å²	14.3	9%	0.091	7%	0.074	C	C	.	.	S	Bend	trans	-79.7	-2.9	-164.9	32.9	-38.5	0	0	0	114.9	R220 I224	R220-P526 HydrophobicContact CB-CB 3.93Å; R220-P526 VanDerWaalsContact CD-O 3.23Å; R220-P526 WeakPolarHBondContact CD-O 3.28Å; R220-P526 HydrophobicContact CG-CB 4.27Å; R220-P526 PolarHBondContact NH1-O 3.35Å; R220-P526 WeakPolarHBondContact O-CB 3.49Å; I224-P526 HydrophobicContact CD1-CB 4.36Å; I224-P526 HydrophobicContact CG1-CB 3.85Å; I224-P526 HydrophobicContact CG1-CG 3.67Å
527	S	98.4	Very high	96.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-128.7	158	174.6	-177	0	0	0	0	109	N195 C520 I525 H529	N195-S527 PolarHBondContact O-OG 2.98Å; C520-S527 VanDerWaalsContact CB-O 3.3Å; C520-S527 WeakPolarHBondContact CB-O 3.36Å; I525-S527 VanDerWaalsContact C-N 3.28Å; I525-S527 WeakPolarHBondContact CG2-O 3.39Å; I525-S527 PolarHBondContact O-N 3.04Å; S527-H529 WeakPolarHBondContact CB-O 3.36Å; S527-H529 PolarHBondContact OG-N 3.29Å; S527-H529 VanDerWaalsContact OG-N 3.13Å
528	D	98.3	Very high	97	Very high	12 Å²	12	11.2 Å²	11.2	6%	0.064	6%	0.058	C	C	.	.	S	Bend	trans	-75.3	-10	165.1	53.9	-22.6	0	0	0	113	Y207 N479 Y480 T481 C520	Y207-D528 HydrophobicContact CE1-CB 4.04Å; Y207-D528 VanDerWaalsContact OH-CG 3.27Å; Y207-D528 PolarHBondContact OH-OD2 2.79Å; N479-D528 WeakPolarHBondContact CA-O 3.47Å; N479-D528 PolarHBondContact ND2-OD2 3.41Å; Y480-D528 PolarHBondContact N-O 2.69Å; T481-D528 HydrophobicContact CG2-CB 3.69Å; C520-D528 WeakPolarHBondContact O-CB 3.34Å
529	H	98.6	Very high	96.8	Very high	7 Å²	7	11.2 Å²	11.2	3%	0.032	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-99.6	148	171.3	-62.2	-113.1	0	0	0	112.1	Y194 N195 D410 T478 N479 D489 S527	Y194-H529 WeakPolarHBondContact CE2-O 3.04Å; N195-H529 HydrophobicContact CB-CB 4.06Å; N195-H529 PolarHBondContact ND2-NE2 3.3Å; D410-H529 IonicContact OD2-CE1 3.81Å; D410-H529 PolarHBondContact OD2-CE1 3.07Å; D410-H529 IonicContact OD2-NE2 3.96Å; T478-H529 CarbonylContact O-C 3.49Å; T478-H529 WeakPolarHBondContact O-CA 3.41Å; N479-H529 PolarHBondContact ND2-CD2 3.44Å; N479-H529 PolarHBondContact ND2-CE1 2.69Å; N479-H529 PolarHBondContact ND2-NE2 2.91Å; D489-H529 IonicContact OD1-CE1 3.14Å; D489-H529 IonicContact OD1-ND1 3.22Å; D489-H529 PolarHBondContact OD1-ND1 3.27Å; D489-H529 VanDerWaalsContact OD1-ND1 3.15Å; D489-H529 IonicContact OD2-CE1 2.69Å; D489-H529 IonicContact OD2-CG 4Å; D489-H529 IonicContact OD2-ND1 2.65Å; D489-H529 PolarHBondContact OD2-ND1 2.8Å; S527-H529 WeakPolarHBondContact CB-O 3.36Å; S527-H529 PolarHBondContact OG-N 3.29Å; S527-H529 VanDerWaalsContact OG-N 3.13Å
530	F	98.3	Very high	95.8	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.044	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-96.4	132.6	168.3	-66.8	-70.6	0	0	0	109.7	M475 Y477 T478 Y480 L507 I525	M475-F530 HydrophobicContact CE-CB 3.95Å; Y477-F530 AromaticContact CD2-CD2 3.84Å; Y477-F530 HydrophobicContact CD2-CD2 3.84Å; Y477-F530 AromaticContact CD2-CE2 3.52Å; Y477-F530 HydrophobicContact CD2-CE2 3.52Å; Y477-F530 HydrophobicContact CE2-CD2 4.12Å; Y477-F530 AromaticContact CE2-CE2 3.49Å; Y477-F530 HydrophobicContact CE2-CE2 3.49Å; Y477-F530 VanDerWaalsContact CE2-CE2 3.49Å; Y477-F530 HydrophobicContact CE2-CZ 4.2Å; T478-F530 PolarHBondContact O-N 3.25Å; Y480-F530 HydrophobicContact CG-CE2 4.25Å; L507-F530 HydrophobicContact CB-CE1 4.39Å; L507-F530 HydrophobicContact CD2-CE1 4.19Å; I525-F530 HydrophobicContact CD1-CE1 3.9Å; I525-F530 HydrophobicContact CD1-CZ 4.2Å; I525-F530 HydrophobicContact CG1-CE1 4.43Å; I525-F530 HydrophobicContact CG2-CD1 4.35Å; I525-F530 HydrophobicContact CG2-CE1 3.89Å
531	S	98.3	Very high	94.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-60.1	142.4	174.4	68	0	0	0	0	111.6	R172 M192 E227	R172-S531 VanDerWaalsContact CZ-O 3.23Å; R172-S531 PolarHBondContact NH1-O 3.27Å; R172-S531 PolarHBondContact NH1-OG 3.24Å; R172-S531 VanDerWaalsContact NH1-OG 3.11Å; R172-S531 PolarHBondContact NH2-O 3.32Å; M192-S531 VanDerWaalsContact CE-CB 3.48Å; E227-S531 VanDerWaalsContact OE1-CB 3.26Å; E227-S531 WeakPolarHBondContact OE1-CB 3.23Å; E227-S531 PolarHBondContact OE1-OG 3.02Å
532	L	98.8	Very high	92.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.3	167.1	-58.6	-175	0	0	0	108.7	M192 C193 Y470 M475 T478 D489 I491	M192-L532 CarbonylContact C-O 3.55Å; M192-L532 WeakPolarHBondContact CA-O 3.33Å; M192-L532 WeakPolarHBondContact CG-O 3.35Å; C193-L532 HydrophobicContact CB-CB 4.25Å; C193-L532 PolarHBondContact N-O 3.15Å; C193-L532 PolarHBondContact O-N 3.35Å; Y470-L532 HydrophobicContact CD1-CD2 4.49Å; Y470-L532 HydrophobicContact CD2-CD1 4.19Å; Y470-L532 HydrophobicContact CD2-CD2 4.37Å; Y470-L532 HydrophobicContact CE1-CD2 4.06Å; Y470-L532 HydrophobicContact CE2-CB 3.74Å; Y470-L532 HydrophobicContact CE2-CD1 4.16Å; Y470-L532 HydrophobicContact CE2-CD2 3.95Å; Y470-L532 HydrophobicContact CE2-CG 4.17Å; M475-L532 HydrophobicContact CE-CD2 3.89Å; M475-L532 HydrophobicContact CG-CD2 4.22Å; T478-L532 HydrophobicContact CG2-CD1 4.42Å; T478-L532 HydrophobicContact CG2-CD2 3.86Å; T478-L532 HydrophobicContact CG2-CG 4.5Å; D489-L532 HydrophobicContact CB-CD1 4.05Å; D489-L532 WeakPolarHBondContact O-CD1 3.39Å; I491-L532 HydrophobicContact CD1-CB 3.8Å; I491-L532 HydrophobicContact CG1-CB 4.22Å; I491-L532 HydrophobicContact CG1-CD1 4.31Å
533	L	98.8	Very high	90.4	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	123.5	175.3	178.6	70.5	0	0	0	108.6	W174 V191 M192 C231 A233 Y470 V503 L504	W174-L533 HydrophobicContact CZ3-CD2 4Å; W174-L533 HydrophobicContact CZ3-CG 4.13Å; V191-L533 WeakPolarHBondContact O-CA 3.44Å; M192-L533 HydrophobicContact CB-CD1 4.11Å; C231-L533 HydrophobicContact CB-CD2 4.03Å; A233-L533 HydrophobicContact CB-CD1 3.51Å; Y470-L533 PolarHBondContact OH-N 3.37Å; Y470-L533 PolarHBondContact OH-O 3.39Å; V503-L533 CarbonylContact C-O 3.53Å; V503-L533 VanDerWaalsContact CA-O 3.31Å; V503-L533 WeakPolarHBondContact CA-O 3.5Å; L504-L533 HydrophobicContact CB-CB 3.76Å; L504-L533 HydrophobicContact CB-CD2 4.47Å; L504-L533 HydrophobicContact CD2-CB 4.17Å; L504-L533 PolarHBondContact N-O 3.44Å
534	T	98.8	Very high	87.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.8	177.7	-174.5	0	0	0	0	110.9	T190 V191 A469 I491 V500 G502 L536	T190-T534 CarbonylContact C-O 3.28Å; T190-T534 WeakPolarHBondContact CA-O 3.34Å; V191-T534 HydrophobicContact CB-CG2 4.04Å; V191-T534 PolarHBondContact N-O 3.47Å; V191-T534 PolarHBondContact O-N 3.04Å; A469-T534 HydrophobicContact CB-CG2 4.07Å; I491-T534 HydrophobicContact CB-CG2 4.39Å; I491-T534 HydrophobicContact CD1-CG2 3.81Å; I491-T534 HydrophobicContact CG2-CG2 3.83Å; V500-T534 WeakPolarHBondContact CG1-OG1 3.37Å; G502-T534 WeakPolarHBondContact O-CA 3.34Å; G502-T534 PolarHBondContact O-OG1 2.76Å; T534-L536 HydrophobicContact CG2-CD2 4.15Å; T534-L536 HydrophobicContact CG2-CG 4.14Å
535	Q	98.6	Very high	85	Confident	60 Å²	60	38.3 Å²	38.3	28%	0.28	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.7	168	-173.1	177.9	20.6	0	0	109.2	W174 S188 T190 L501 G502	W174-Q535 HydrophobicContact CH2-CB 3.75Å; W174-Q535 HydrophobicContact CZ2-CB 3.63Å; S188-Q535 WeakPolarHBondContact OG-CG 3.21Å; S188-Q535 PolarHBondContact OG-NE2 2.81Å; T190-Q535 HydrophobicContact CG2-CB 4.07Å; T190-Q535 HydrophobicContact CG2-CG 4.21Å; L501-Q535 HydrophobicContact CB-CB 4.3Å; L501-Q535 HydrophobicContact CB-CG 4.19Å; L501-Q535 HydrophobicContact CD1-CG 4.13Å; L501-Q535 PolarHBondContact N-O 3.28Å; G502-Q535 PolarHBondContact O-N 2.94Å
536	L	98.2	Very high	82.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.4	176.7	-60.5	178.6	0	0	0	110.3	S188 F189 V191 V406 Y493 M498 N499 V500 T534	S188-L536 VanDerWaalsContact CA-O 3.3Å; S188-L536 WeakPolarHBondContact CA-O 3.33Å; S188-L536 PolarHBondContact OG-O 3.47Å; F189-L536 HydrophobicContact CE2-CB 4.22Å; F189-L536 HydrophobicContact CE2-CD1 4.02Å; F189-L536 HydrophobicContact CZ-CB 4.19Å; F189-L536 HydrophobicContact CZ-CD1 4.27Å; F189-L536 PolarHBondContact N-O 3.31Å; F189-L536 VanDerWaalsContact N-O 3.12Å; F189-L536 PolarHBondContact O-N 3.38Å; V191-L536 HydrophobicContact CG2-CD1 3.84Å; V191-L536 HydrophobicContact CG2-CG 4.41Å; V406-L536 HydrophobicContact CG2-CD1 3.64Å; Y493-L536 HydrophobicContact CD1-CD2 4.33Å; Y493-L536 HydrophobicContact CG-CD2 4.24Å; M498-L536 HydrophobicContact SD-CB 4.47Å; M498-L536 HydrophobicContact SD-CD1 3.97Å; N499-L536 WeakPolarHBondContact O-CA 3.36Å; V500-L536 HydrophobicContact CG2-CD2 3.82Å; T534-L536 HydrophobicContact CG2-CD2 4.15Å; T534-L536 HydrophobicContact CG2-CG 4.14Å
537	E	95.7	Very high	79.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.2	168.3	-179.6	-175.4	-129.1	0	0	108.2	R180 D181 S186 A187 M498 N499 L501 H539	R180-E537 VanDerWaalsContact CG-OE1 3.28Å; R180-E537 WeakPolarHBondContact CG-OE1 3.34Å; D181-E537 PolarHBondContact N-OE1 2.96Å; S186-E537 WeakPolarHBondContact OG-CG 3.17Å; S186-E537 PolarHBondContact OG-OE1 2.97Å; S186-E537 VanDerWaalsContact OG-OE1 3.05Å; A187-E537 CarbonylContact O-C 3.54Å; A187-E537 WeakPolarHBondContact O-CA 3.47Å; M498-E537 CarbonylContact C-O 3.48Å; M498-E537 WeakPolarHBondContact CA-O 3.48Å; N499-E537 PolarHBondContact N-O 3.25Å; N499-E537 PolarHBondContact O-N 3.38Å; L501-E537 HydrophobicContact CD1-CB 3.97Å; L501-E537 HydrophobicContact CD2-CB 3.81Å; L501-E537 HydrophobicContact CD2-CG 4.49Å; L501-E537 HydrophobicContact CG-CB 3.78Å; E537-H539 VanDerWaalsContact CD-CE1 3.49Å; E537-H539 IonicContact OE2-CE1 3.13Å; E537-H539 PolarHBondContact OE2-CE1 3.47Å; E537-H539 VanDerWaalsContact OE2-CE1 3.24Å; E537-H539 IonicContact OE2-NE2 2.69Å; E537-H539 PolarHBondContact OE2-NE2 3.32Å; E537-H539 VanDerWaalsContact OE2-NE2 3.13Å
538	L	94.4	Very high	76.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.5	176.7	172.3	64	0	0	0	110.5	S186 A187 F189 V334 F339 Q352 P404 H497 M498	S186-L538 CarbonylContact C-O 3.56Å; S186-L538 WeakPolarHBondContact CA-O 3.45Å; A187-L538 HydrophobicContact CB-CB 4.31Å; A187-L538 PolarHBondContact N-O 3.1Å; A187-L538 PolarHBondContact O-N 3.34Å; F189-L538 HydrophobicContact CE1-CB 3.85Å; F189-L538 HydrophobicContact CE1-CD2 4.26Å; V334-L538 HydrophobicContact CG2-CD2 4.23Å; F339-L538 HydrophobicContact CZ-CD2 4.17Å; F339-L538 HydrophobicContact CZ-CG 4.42Å; Q352-L538 HydrophobicContact CG-CD2 3.98Å; P404-L538 HydrophobicContact CB-CD1 4.11Å; P404-L538 HydrophobicContact CG-CD1 3.55Å; H497-L538 HydrophobicContact CB-CD1 4.2Å; M498-L538 HydrophobicContact CG-CB 4.02Å; M498-L538 HydrophobicContact CG-CD1 3.68Å; M498-L538 HydrophobicContact CG-CG 4.48Å; M498-L538 HydrophobicContact SD-CD1 4.38Å
539	H	88.5	Confident	73.2	Confident	39 Å²	39	58.2 Å²	58.2	18%	0.181	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-83.9	141.8	173.5	-62.7	-72.5	0	0	0	109.8	H497 N499 E537	H497-H539 PolarHBondContact O-CD2 3.38Å; H497-H539 PolarHBondContact O-N 2.85Å; N499-H539 PolarHBondContact ND2-NE2 2.8Å; E537-H539 VanDerWaalsContact CD-CE1 3.49Å; E537-H539 IonicContact OE2-CE1 3.13Å; E537-H539 PolarHBondContact OE2-CE1 3.47Å; E537-H539 VanDerWaalsContact OE2-CE1 3.24Å; E537-H539 IonicContact OE2-NE2 2.69Å; E537-H539 PolarHBondContact OE2-NE2 3.32Å; E537-H539 VanDerWaalsContact OE2-NE2 3.13Å
540	P	75.8	Confident	69.9	Low	32 Å²	32	66.1 Å²	66.1	21%	0.208	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61	158.4	173.2	25.8	-33.2	0	0	0	110	P185 F339 M343 L542	P185-P540 WeakPolarHBondContact O-CD 3.21Å; P185-P540 WeakPolarHBondContact O-CG 3.42Å; F339-P540 HydrophobicContact CE1-CB 4.39Å; M343-P540 HydrophobicContact CE-CB 4.22Å; P540-L542 PolarHBondContact O-N 3.39Å
541	P	67.8	Low	66.9	Low	70 Å²	70	72.6 Å²	72.6	46%	0.455	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-58	126.8	-179.1	-16.3	29.8	0	0	0	109.2	Q352 L543	Q352-P541 VanDerWaalsContact OE1-CD 3.22Å; Q352-P541 VanDerWaalsContact OE1-CG 3.31Å; P541-L543 PolarHBondContact O-N 3.27Å
542	L	59.9	Low	63.7	Low	169 Å²	169	77.4 Å²	77.4	89%	0.885	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-62.9	123.7	170.3	-73.8	166.4	0	0	0	107.8	P540	P540-L542 PolarHBondContact O-N 3.39Å
543	L	49.5	Very low	60.5	Low	122 Å²	122	85 Å²	85	64%	0.639	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-51.5	134.5	170.1	-72.7	165.9	0	0	0	108.6	I346 P541 L545	I346-L543 HydrophobicContact CG2-CD2 4.26Å; P541-L543 PolarHBondContact O-N 3.27Å; L543-L545 PolarHBondContact O-N 2.83Å
544	P	40.3	Very low	57.7	Low	112 Å²	112	96 Å²	96	73%	0.727	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-54.1	121	156.9	-16	28	0	0	0	106.1	V546	P544-V546 PolarHBondContact O-N 2.84Å
545	L	34.8	Very low	54.4	Low	134 Å²	134	111.1 Å²	111.1	70%	0.702	58%	0.583	S	S	*	*			trans	-48.3	105.2	173.2	-99.2	137.5	0	0	0	108	L543 N547 V549	L543-L545 PolarHBondContact O-N 2.83Å; L545-N547 VanDerWaalsContact C-N 3.34Å; L545-N547 PolarHBondContact O-N 3.12Å; L545-V549 WeakPolarHBondContact CD2-O 3.46Å
546	V	34.8	Very low	52.1	Low	126 Å²	126	113.7 Å²	113.7	76%	0.764	60%	0.598	S	S	*	*			trans	-65.6	101.8	171.7	-179.8	0	0	0	0	105.5	P544	P544-V546 PolarHBondContact O-N 2.84Å
547	N	36.6	Very low	49.7	Very low	150 Å²	150	119.7 Å²	119.7	80%	0.802	63%	0.629	S	S	*	*	S	Bend	trans	36.1	93.5	168.6	-67.1	-20.7	0	0	0	116.4	L545	L545-N547 VanDerWaalsContact C-N 3.34Å; L545-N547 PolarHBondContact O-N 3.12Å
548	G	36.8	Very low	47.2	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	66%	0.664	S	S	*	*			trans	89.1	7.9	139.3	0	0	0	0	0	119.6	H550	G548-H550 PolarHBondContact O-N 3.35Å
549	V	33.6	Very low	44.4	Very low	104 Å²	104	133.8 Å²	133.8	63%	0.63	70%	0.703	S	S	*	*			trans	-91.9	95.1	170.9	-171.3	0	0	0	0	110	L545 L551	L545-V549 WeakPolarHBondContact CD2-O 3.46Å; V549-L551 PolarHBondContact O-N 3.26Å; V549-L551 VanDerWaalsContact O-N 3.09Å
550	H	30.4	Very low	41.6	Very low	173 Å²	173	139.7 Å²	139.7	80%	0.801	74%	0.736	S	S	*	*			trans	-57.2	107.9	165.2	-98.9	-79.2	0	0	0	109.4	G548	G548-H550 PolarHBondContact O-N 3.35Å
551	L	33.7	Very low	39.4	Very low	146 Å²	146	146.9 Å²	146.9	76%	0.764	77%	0.771	S	S	*	*			trans	-74.9	130.6	155.7	-82.9	158.3	0	0	0	107.5	V549 N553	V549-L551 PolarHBondContact O-N 3.26Å; V549-L551 VanDerWaalsContact O-N 3.09Å; L551-N553 PolarHBondContact O-N 3.32Å
552	P	32.8	Very low	37.3	Very low	102 Å²	102	152.4 Å²	152.4	66%	0.662	79%	0.794	S	S	*	*			trans	-68.3	132	-169.9	25.2	-30.9	0	0	0	110.5	R554	P552-R554 PolarHBondContact O-N 3.38Å
553	N	31.4	Very low	35.6	Very low	159 Å²	159	151.1 Å²	151.1	85%	0.85	79%	0.787	S	S	*	*			trans	-48.5	104.3	170.4	-76.9	-19.2	0	0	0	109.7	L551 R555	L551-N553 PolarHBondContact O-N 3.32Å; N553-R555 PolarHBondContact O-N 2.94Å
554	R	38.6	Very low	34.4	Very low	244 Å²	244	153.5 Å²	153.5	92%	0.921	80%	0.799	S	S	*	*			trans	-83.3	113.4	163.5	-80.3	-172.5	173.8	-173.5	-0.9	107.1	P552	P552-R554 PolarHBondContact O-N 3.38Å
555	R	29.3	Very low	33.9	Very low	318 Å²	318	157.3 Å²	157.3	100%	1.2	81%	0.805	S	S	*	*			trans	-56.1	0	172.5	-76.8	-178.7	172.8	-179.8	-2.8	112.2	N553	N553-R555 PolarHBondContact O-N 2.94Å

Retrieved 555 of 555 residues in 106.3 ms (Link to these results)

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