A0A077YXP4_TRITR Loading...

Lin-7 protein

AlphaFold DB , UniProt , Accession A0A077YXP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 562 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	27.6	Very low	28	Very low	247 Å²	247	111.5 Å²	111.5	100%	1.217	64%	0.642	S	S	*	*				0	83.3	0	-71.2	-178	174.6	0	0	107.7
2	S	28.8	Very low	28.2	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	66%	0.662	S	S	*	*			trans	-86.5	115.3	169.7	46.4	0	0	0	0	107.2	N4	S2-N4 PolarHBondContact O-N 3.2Å; S2-N4 VanDerWaalsContact O-N 3.09Å
3	D	27.2	Very low	28.2	Very low	149 Å²	149	116.5 Å²	116.5	80%	0.797	68%	0.679	S	S	*	*			trans	-53.5	114.5	172.5	-93.6	-38.9	0	0	0	108.9	T5	D3-T5 HydrophobicContact CB-CG2 4.5Å; D3-T5 PolarHBondContact O-N 3.05Å
4	N	28.3	Very low	28.2	Very low	152 Å²	152	112.4 Å²	112.4	81%	0.813	67%	0.665	S	S	*	*			trans	-63.5	82.8	161.6	-88.6	-25.6	0	0	0	107.1	S2 V6	S2-N4 PolarHBondContact O-N 3.2Å; S2-N4 VanDerWaalsContact O-N 3.09Å; N4-V6 PolarHBondContact O-N 2.83Å
5	T	29	Very low	28	Very low	128 Å²	128	119.5 Å²	119.5	79%	0.785	68%	0.684	S	S	*	*			trans	-66.1	84.4	166.6	44.2	0	0	0	0	107.5	D3 N7	D3-T5 HydrophobicContact CB-CG2 4.5Å; D3-T5 PolarHBondContact O-N 3.05Å; T5-N7 PolarHBondContact O-N 3.41Å
6	V	26.6	Very low	27.9	Very low	89 Å²	89	117.9 Å²	117.9	54%	0.539	67%	0.669	S	S	.	*			trans	-48.8	125.3	162.4	177.1	0	0	0	0	106.3	N4 I10	N4-V6 PolarHBondContact O-N 2.83Å; V6-I10 HydrophobicContact CG1-CB 4.45Å
7	N	28.7	Very low	27.8	Very low	41 Å²	41	117 Å²	117	22%	0.219	66%	0.662	C	S	.	*			trans	-45.8	119.8	177.8	-175.6	-10.5	0	0	0	109	T5 C9 I10 E193	T5-N7 PolarHBondContact O-N 3.41Å; N7-C9 PolarHBondContact O-N 3.03Å; N7-C9 PolarHBondContact OD1-N 2.91Å; N7-C9 PolarHBondContact OD1-SG 2.87Å; N7-I10 HydrophobicContact CB-CD1 4.45Å; N7-I10 PolarHBondContact O-N 2.8Å; N7-E193 VanDerWaalsContact CB-CD 3.47Å; N7-E193 VanDerWaalsContact CB-OE1 3.23Å; N7-E193 WeakPolarHBondContact CB-OE1 3.17Å; N7-E193 WeakPolarHBondContact CB-OE2 3.45Å; N7-E193 PolarHBondContact ND2-OE2 3.08Å
8	P	27.6	Very low	27.6	Very low	102 Å²	102	116.2 Å²	116.2	66%	0.662	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-7.6	-171.9	20.8	-31.8	0	0	0	113.6	I10	P8-I10 VanDerWaalsContact C-N 3.35Å
9	C	27.5	Very low	27.4	Very low	62 Å²	62	113 Å²	113	42%	0.419	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-8.1	172.6	-58.4	0	0	0	0	114.6	N7	N7-C9 PolarHBondContact O-N 3.03Å; N7-C9 PolarHBondContact OD1-N 2.91Å; N7-C9 PolarHBondContact OD1-SG 2.87Å
10	I	25.9	Very low	27.3	Very low	56 Å²	56	114.8 Å²	114.8	29%	0.287	65%	0.65	S	S	.	*			trans	-113.9	97.5	-174.1	-55.2	-178.6	0	0	0	110.9	V6 N7 P8 K12 E193	V6-I10 HydrophobicContact CG1-CB 4.45Å; N7-I10 HydrophobicContact CB-CD1 4.45Å; N7-I10 PolarHBondContact O-N 2.8Å; P8-I10 VanDerWaalsContact C-N 3.35Å; I10-K12 PolarHBondContact O-N 2.91Å; I10-E193 VanDerWaalsContact CD1-OE2 3.23Å; I10-E193 WeakPolarHBondContact CD1-OE2 3.35Å
11	V	30.6	Very low	27.2	Very low	90 Å²	90	112.6 Å²	112.6	55%	0.545	63%	0.632	S	S	.	*			trans	-76.9	111.9	167.1	-176.3	0	0	0	0	108.9	G13 A14	V11-G13 PolarHBondContact O-N 2.98Å; V11-A14 PolarHBondContact O-N 3.22Å
12	K	30.4	Very low	27.3	Very low	202 Å²	202	102.3 Å²	102.3	88%	0.878	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	115.6	172.8	-110	179.5	177.3	174.7	0	110.3	I10	I10-K12 PolarHBondContact O-N 2.91Å
13	G	29.1	Very low	27.5	Very low	86 Å²	86	99 Å²	99	89%	0.887	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.9	-3.9	173.2	0	0	0	0	0	116.5	V11	V11-G13 PolarHBondContact O-N 2.98Å
14	A	27.1	Very low	27.8	Very low	59 Å²	59	93 Å²	93	49%	0.488	53%	0.53	S	S	.	.			trans	-71.9	136.3	169.5	0	0	0	0	0	110.4	V11 Q16	V11-A14 PolarHBondContact O-N 3.22Å; A14-Q16 PolarHBondContact O-N 2.87Å
15	K	25.4	Very low	28	Very low	218 Å²	218	88.6 Å²	88.6	95%	0.948	51%	0.511	S	S	*	.			trans	-64.6	102.1	171.8	-76.9	-176.2	177.1	-178.8	0	108.5
16	Q	26.4	Very low	28.3	Very low	95 Å²	95	82.9 Å²	82.9	44%	0.444	48%	0.476	S	S	.	.			trans	-90.6	126.4	174.6	-69.9	-177.4	-22.8	0	0	109.2	A14 V18	A14-Q16 PolarHBondContact O-N 2.87Å; Q16-V18 WeakPolarHBondContact O-CG2 3.1Å; Q16-V18 PolarHBondContact O-N 2.81Å; Q16-V18 VanDerWaalsContact O-N 3.1Å
17	D	26.4	Very low	28.8	Very low	102 Å²	102	80 Å²	80	55%	0.545	46%	0.459	S	S	.	.			trans	-76	93.3	168.4	-167.4	-8.7	0	0	0	108.1	G19 R20	D17-G19 PolarHBondContact O-N 2.84Å; D17-G19 VanDerWaalsContact O-N 3.11Å; D17-R20 HydrophobicContact CB-CB 4.31Å; D17-R20 PolarHBondContact O-N 2.77Å; D17-R20 WeakPolarHBondContact OD2-CD 3.28Å; D17-R20 IonicContact OD2-NE 3.66Å
18	V	23.5	Very low	29	Very low	103 Å²	103	78.4 Å²	78.4	62%	0.624	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.8	-166.6	-155.9	0	0	0	0	112.3	Q16	Q16-V18 WeakPolarHBondContact O-CG2 3.1Å; Q16-V18 PolarHBondContact O-N 2.81Å; Q16-V18 VanDerWaalsContact O-N 3.1Å
19	G	24.2	Very low	29.3	Very low	55 Å²	55	80.6 Å²	80.6	57%	0.567	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-18.4	176.3	0	0	0	0	0	114.9	D17 R391	D17-G19 PolarHBondContact O-N 2.84Å; D17-G19 VanDerWaalsContact O-N 3.11Å; G19-R391 PolarHBondContact O-NH2 3.06Å
20	R	25.6	Very low	30	Very low	148 Å²	148	82.5 Å²	82.5	56%	0.558	46%	0.459	S	S	*	.			trans	-113.5	36.5	-177.8	-64.7	-172.7	179.4	-165.4	-4.4	112.4	D17	D17-R20 HydrophobicContact CB-CB 4.31Å; D17-R20 PolarHBondContact O-N 2.77Å; D17-R20 WeakPolarHBondContact OD2-CD 3.28Å; D17-R20 IonicContact OD2-NE 3.66Å
21	R	25.5	Very low	30.9	Very low	70 Å²	70	81.7 Å²	81.7	26%	0.264	45%	0.454	S	S	.	.			trans	-57	132.7	166.9	-63.7	-175.6	-178.8	-158.5	22.6	107	M23 E193 L194 R391	R21-M23 PolarHBondContact O-N 2.78Å; R21-E193 PolarHBondContact NH1-O 2.77Å; R21-E193 PolarHBondContact NH2-O 3.19Å; R21-E193 VanDerWaalsContact NH2-O 3.13Å; R21-L194 HydrophobicContact CB-CD2 3.47Å; R21-L194 VanDerWaalsContact CB-CD2 3.47Å; R21-L194 HydrophobicContact CG-CD2 3.97Å; R21-R391 PolarHBondContact O-NH2 2.9Å
22	P	28.7	Very low	31.8	Very low	30 Å²	30	82.3 Å²	82.3	20%	0.195	45%	0.452	C	S	.	.			trans	-47.1	136.1	165.8	-20.6	29.8	0	0	0	106.9	G24 T90 W101	P22-G24 WeakPolarHBondContact O-CA 3.25Å; P22-G24 PolarHBondContact O-N 2.77Å; P22-T90 HydrophobicContact CG-CG2 4.36Å; P22-W101 HydrophobicContact CB-CD2 4.48Å; P22-W101 HydrophobicContact CB-CE3 4.36Å; P22-W101 HydrophobicContact CB-CZ3 4.5Å
23	M	33.6	Very low	32.9	Very low	41 Å²	41	76.8 Å²	76.8	20%	0.202	43%	0.428	C	S	.	.	S	Bend	trans	-44.4	121	171.6	-67.8	-164.3	-68.9	0	0	107.1	R21 S25 V61 C63	R21-M23 PolarHBondContact O-N 2.78Å; M23-S25 PolarHBondContact O-N 3.33Å; M23-V61 HydrophobicContact CE-CB 4.2Å; M23-V61 HydrophobicContact CE-CG1 3.59Å; M23-C63 HydrophobicContact CE-CB 4.41Å
24	G	32.8	Very low	34.1	Very low	25 Å²	25	78 Å²	78	26%	0.258	42%	0.415	S	S	.	.	S	Bend	trans	-44.9	114.4	-151.5	0	0	0	0	0	112.1	P22	P22-G24 WeakPolarHBondContact O-CA 3.25Å; P22-G24 PolarHBondContact O-N 2.77Å
25	S	33.9	Very low	35.4	Very low	59 Å²	59	76.4 Å²	76.4	41%	0.413	40%	0.404	S	S	.	.			trans	43.1	97.8	177.7	57.2	0	0	0	0	113.8	M23 P27	M23-S25 PolarHBondContact O-N 3.33Å; S25-P27 WeakPolarHBondContact O-CD 3.47Å
26	C	35.3	Very low	37	Very low	8 Å²	8	72.1 Å²	72.1	5%	0.054	40%	0.402	C	S	.	.			trans	-48.6	120.2	144.3	-179.8	0	0	0	0	103.2	A28 C65 W101	C26-A28 PolarHBondContact O-N 3.41Å; C26-C65 HydrophobicContact CB-CB 3.9Å; C26-W101 HydrophobicContact CB-CE3 3.94Å; C26-W101 HydrophobicContact CB-CH2 3.22Å; C26-W101 HydrophobicContact CB-CZ2 4.42Å; C26-W101 HydrophobicContact CB-CZ3 2.94Å
27	P	37.2	Very low	38.7	Very low	29 Å²	29	70 Å²	70	19%	0.188	39%	0.393	C	S	.	.			trans	-64.1	94	178.4	24.7	-30.9	0	0	0	104.1	S25 N29 K30 I43	S25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-N29 PolarHBondContact O-N 3.05Å; P27-K30 HydrophobicContact CB-CB 4.33Å; P27-K30 HydrophobicContact CB-CD 4.34Å; P27-K30 HydrophobicContact CB-CG 4Å; P27-K30 HydrophobicContact CG-CB 4.05Å; P27-K30 HydrophobicContact CG-CD 3.66Å; P27-K30 HydrophobicContact CG-CG 3.81Å; P27-K30 WeakPolarHBondContact O-CA 3.3Å; P27-K30 WeakPolarHBondContact O-CB 3.46Å; P27-K30 PolarHBondContact O-N 2.78Å; P27-I43 HydrophobicContact CG-CG2 4.27Å
28	A	32	Very low	40.4	Very low	6 Å²	6	66.9 Å²	66.9	5%	0.05	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-50.9	-25.2	166.7	0	0	0	0	0	109.6	C26 K30 M31 Y67 W94	C26-A28 PolarHBondContact O-N 3.41Å; A28-K30 PolarHBondContact O-N 2.83Å; A28-M31 HydrophobicContact CB-CE 3.72Å; A28-M31 WeakPolarHBondContact O-CB 3.2Å; A28-M31 WeakPolarHBondContact O-CG 3.36Å; A28-M31 PolarHBondContact O-N 2.79Å; A28-Y67 HydrophobicContact CB-CE1 4.18Å; A28-Y67 HydrophobicContact CB-CE2 4.49Å; A28-Y67 WeakPolarHBondContact CB-OH 3.36Å; A28-W94 HydrophobicContact CB-CD2 3.86Å; A28-W94 HydrophobicContact CB-CE3 4.47Å; A28-W94 HydrophobicContact CB-CG 4.4Å; A28-W94 HydrophobicContact CB-CH2 3.89Å; A28-W94 HydrophobicContact CB-CZ2 3.18Å; A28-W94 HydrophobicContact CB-CZ3 4.48Å
29	N	35.1	Very low	42.2	Very low	149 Å²	149	62.2 Å²	62.2	80%	0.797	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.6	-17.2	171.4	-53.4	-8.8	0	0	0	113.7	P27	P27-N29 PolarHBondContact O-N 3.05Å
30	K	41.4	Very low	44.1	Very low	102 Å²	102	59.6 Å²	59.6	44%	0.443	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-104.4	24.2	172.6	-63.4	-172.5	-179.8	174	0	112.2	P27 A28 M32 E51	P27-K30 HydrophobicContact CB-CB 4.33Å; P27-K30 HydrophobicContact CB-CD 4.34Å; P27-K30 HydrophobicContact CB-CG 4Å; P27-K30 HydrophobicContact CG-CB 4.05Å; P27-K30 HydrophobicContact CG-CD 3.66Å; P27-K30 HydrophobicContact CG-CG 3.81Å; P27-K30 WeakPolarHBondContact O-CA 3.3Å; P27-K30 WeakPolarHBondContact O-CB 3.46Å; P27-K30 PolarHBondContact O-N 2.78Å; A28-K30 PolarHBondContact O-N 2.83Å; K30-M32 WeakPolarHBondContact O-CG 3.26Å; K30-M32 PolarHBondContact O-N 2.8Å; K30-M32 VanDerWaalsContact O-N 3.15Å; K30-E51 IonicContact NZ-OE1 3.72Å; K30-E51 PolarHBondContact NZ-OE1 3.28Å; K30-E51 IonicContact NZ-OE2 3.85Å; K30-E51 PolarHBondContact NZ-OE2 3.07Å
31	M	45.4	Very low	45.8	Very low	38 Å²	38	52.7 Å²	52.7	19%	0.187	29%	0.294	C	S	.	.			trans	-54.7	120.5	168.6	-81.1	175	-150.8	0	0	110.4	A28 N34 A39 Y67 W94	A28-M31 HydrophobicContact CB-CE 3.72Å; A28-M31 WeakPolarHBondContact O-CB 3.2Å; A28-M31 WeakPolarHBondContact O-CG 3.36Å; A28-M31 PolarHBondContact O-N 2.79Å; M31-N34 WeakPolarHBondContact CB-OD1 3.44Å; M31-A39 HydrophobicContact CB-CB 4.21Å; M31-A39 HydrophobicContact CE-CB 4.3Å; M31-A39 HydrophobicContact CG-CB 3.7Å; M31-A39 HydrophobicContact SD-CB 3.11Å; M31-A39 WeakPolarHBondContact SD-CB 3.33Å; M31-Y67 HydrophobicContact CE-CD1 3.45Å; M31-Y67 VanDerWaalsContact CE-CD1 3.45Å; M31-Y67 HydrophobicContact CE-CD2 3.51Å; M31-Y67 HydrophobicContact CE-CE1 3.34Å; M31-Y67 HydrophobicContact CE-CE2 3.42Å; M31-Y67 VanDerWaalsContact CE-CE2 3.42Å; M31-Y67 HydrophobicContact CE-CG 3.57Å; M31-Y67 HydrophobicContact CG-CD2 4.26Å; M31-Y67 HydrophobicContact CG-CE2 4.2Å; M31-Y67 HydrophobicContact SD-CD2 4.17Å; M31-Y67 HydrophobicContact SD-CE2 4.42Å; M31-Y67 HydrophobicContact SD-CG 4.37Å; M31-W94 HydrophobicContact CE-CD2 4.46Å; M31-W94 HydrophobicContact CE-CE3 3.81Å; M31-W94 HydrophobicContact CE-CH2 3.28Å; M31-W94 HydrophobicContact CE-CZ2 4.02Å; M31-W94 HydrophobicContact CE-CZ3 3.16Å; M31-W94 HydrophobicContact SD-CH2 4.43Å; M31-W94 HydrophobicContact SD-CZ3 4.43Å
32	M	49.3	Very low	47.6	Very low	103 Å²	103	49.9 Å²	49.9	51%	0.507	28%	0.284	S	S	.	.			trans	-98	-19	-171.3	-64.8	-154.7	-85.5	0	0	113.5	K30 H42 H129 L131	K30-M32 WeakPolarHBondContact O-CG 3.26Å; K30-M32 PolarHBondContact O-N 2.8Å; K30-M32 VanDerWaalsContact O-N 3.15Å; M32-H42 VanDerWaalsContact CE-CE1 3.42Å; M32-H42 WeakPolarHBondContact CE-CE1 3.11Å; M32-H42 WeakPolarHBondContact CE-NE2 3.42Å; M32-H129 WeakPolarHBondContact CB-NE2 3.22Å; M32-L131 HydrophobicContact CE-CD1 4.46Å
33	K	53.1	Low	49.1	Very low	86 Å²	86	49.5 Å²	49.5	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	109.9	175	-166.1	172.2	178.3	178.7	0	111.2	A39 V40 S128	K33-A39 VanDerWaalsContact O-CA 3.3Å; K33-A39 WeakPolarHBondContact O-CA 3.12Å; K33-V40 PolarHBondContact O-N 3.32Å; K33-S128 PolarHBondContact NZ-O 2.83Å
34	N	54.2	Low	50.3	Low	112 Å²	112	48 Å²	48	60%	0.599	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.7	179.2	-67.5	-8.4	0	0	0	110.2	M31 A39	M31-N34 WeakPolarHBondContact CB-OD1 3.44Å; N34-A39 VanDerWaalsContact OD1-CB 3.26Å; N34-A39 WeakPolarHBondContact OD1-CB 3.44Å
35	G	54.8	Low	51.3	Low	26 Å²	26	46.9 Å²	46.9	27%	0.268	26%	0.26	S	S	.	.			trans	-86.3	174.8	155.9	0	0	0	0	0	110.4	D37 Y38	G35-D37 PolarHBondContact O-N 3.09Å; G35-Y38 PolarHBondContact N-O 3.46Å
36	S	59	Low	52.1	Low	128 Å²	128	44.1 Å²	44.1	90%	0.895	24%	0.241	S	C	*	.	S	Bend	trans	-62.3	-22.7	173.8	49.1	0	0	0	0	113.6
37	D	60.7	Low	52.5	Low	49 Å²	49	47.2 Å²	47.2	26%	0.262	26%	0.256	S	S	.	.	S	Bend	trans	-134	8.1	-169.6	62.3	-38.9	0	0	0	113.2	G35 V69	G35-D37 PolarHBondContact O-N 3.09Å; D37-V69 HydrophobicContact CB-CB 4.4Å; D37-V69 VanDerWaalsContact O-CB 3.25Å; D37-V69 WeakPolarHBondContact O-CB 3.49Å; D37-V69 VanDerWaalsContact O-CG2 3.28Å; D37-V69 WeakPolarHBondContact O-CG2 3.49Å; D37-V69 PolarHBondContact O-N 3.09Å
38	Y	63.2	Low	52.9	Low	38 Å²	38	49.1 Å²	49.1	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.7	177.2	69.5	-94.6	0	0	0	112.5	G35 Y67 F119 V127	G35-Y38 PolarHBondContact N-O 3.46Å; Y38-Y67 CarbonylContact C-O 3.22Å; Y38-Y67 WeakPolarHBondContact CA-O 3.43Å; Y38-Y67 WeakPolarHBondContact CB-O 3.13Å; Y38-F119 HydrophobicContact CD1-CZ 4.12Å; Y38-F119 AromaticContact CD2-CE1 3.74Å; Y38-F119 HydrophobicContact CD2-CE1 3.74Å; Y38-F119 AromaticContact CD2-CZ 3.69Å; Y38-F119 HydrophobicContact CD2-CZ 3.69Å; Y38-F119 HydrophobicContact CE2-CE1 4.4Å; Y38-F119 HydrophobicContact CE2-CZ 4.44Å; Y38-F119 HydrophobicContact CG-CE1 4.05Å; Y38-F119 AromaticContact CG-CZ 3.51Å; Y38-F119 HydrophobicContact CG-CZ 3.51Å; Y38-V127 HydrophobicContact CD2-CG1 4.01Å; Y38-V127 HydrophobicContact CE1-CG2 4.13Å; Y38-V127 HydrophobicContact CE2-CB 4.38Å; Y38-V127 HydrophobicContact CE2-CG1 3.38Å; Y38-V127 HydrophobicContact CE2-CG2 4.23Å
39	A	60.2	Low	53.6	Low	5 Å²	5	50.2 Å²	50.2	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.8	163.7	0	0	0	0	0	111.4	M31 K33 N34 Y67	M31-A39 HydrophobicContact CB-CB 4.21Å; M31-A39 HydrophobicContact CE-CB 4.3Å; M31-A39 HydrophobicContact CG-CB 3.7Å; M31-A39 HydrophobicContact SD-CB 3.11Å; M31-A39 WeakPolarHBondContact SD-CB 3.33Å; K33-A39 VanDerWaalsContact O-CA 3.3Å; K33-A39 WeakPolarHBondContact O-CA 3.12Å; N34-A39 VanDerWaalsContact OD1-CB 3.26Å; N34-A39 WeakPolarHBondContact OD1-CB 3.44Å; A39-Y67 HydrophobicContact CB-CD2 4.23Å; A39-Y67 HydrophobicContact CB-CG 4.33Å; A39-Y67 PolarHBondContact N-O 2.75Å; A39-Y67 WeakPolarHBondContact O-CB 3.18Å; A39-Y67 PolarHBondContact O-N 3.47Å
40	V	65.1	Low	54.1	Low	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.1	175.4	-176.8	0	0	0	0	108.3	K33 C65 C117 F119 V127 H129	K33-V40 PolarHBondContact O-N 3.32Å; V40-C65 WeakPolarHBondContact CA-O 3.42Å; V40-C117 HydrophobicContact CG1-CB 3.88Å; V40-F119 HydrophobicContact CG2-CD1 3.44Å; V40-F119 VanDerWaalsContact CG2-CD1 3.44Å; V40-F119 HydrophobicContact CG2-CE1 3.34Å; V40-V127 HydrophobicContact CG2-CG1 4.47Å; V40-H129 HydrophobicContact CG1-CB 4.23Å
41	G	61.6	Low	54.5	Low	3 Å²	3	45.7 Å²	45.7	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.6	173.5	0	0	0	0	0	110.9	C65	G41-C65 PolarHBondContact N-O 2.82Å; G41-C65 PolarHBondContact O-N 2.8Å
42	H	63.6	Low	54.6	Low	10 Å²	10	44.1 Å²	44.1	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.3	173.8	54.1	-97.1	0	0	0	109.5	M32 C63 V64 H129 L131	M32-H42 VanDerWaalsContact CE-CE1 3.42Å; M32-H42 WeakPolarHBondContact CE-CE1 3.11Å; M32-H42 WeakPolarHBondContact CE-NE2 3.42Å; H42-C63 CarbonylContact C-O 3.47Å; H42-C63 WeakPolarHBondContact CA-O 3.11Å; H42-C63 WeakPolarHBondContact CB-O 3.27Å; H42-V64 HydrophobicContact CB-CG2 4.14Å; H42-H129 AromaticContact CE1-CD2 3.31Å; H42-H129 PolarHBondContact CE1-CD2 3.32Å; H42-H129 AromaticContact CE1-NE2 3.43Å; H42-H129 PolarHBondContact CE1-NE2 2.82Å; H42-H129 AromaticContact ND1-CD2 3.64Å; H42-L131 WeakPolarHBondContact CD2-CD2 3.29Å; H42-L131 VanDerWaalsContact CE1-CB 3.48Å; H42-L131 WeakPolarHBondContact CE1-CB 3.16Å; H42-L131 VanDerWaalsContact NE2-CB 3.29Å; H42-L131 WeakPolarHBondContact NE2-CB 2.94Å; H42-L131 WeakPolarHBondContact NE2-CD1 3.29Å; H42-L131 WeakPolarHBondContact NE2-CD2 3.37Å; H42-L131 WeakPolarHBondContact NE2-CG 3Å
43	I	58.6	Low	54.5	Low	22 Å²	22	40 Å²	40	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.3	169.2	58.9	174.1	0	0	0	109	P27 C63	P27-I43 HydrophobicContact CG-CG2 4.27Å; I43-C63 HydrophobicContact CD1-CB 4.25Å; I43-C63 HydrophobicContact CG1-CB 3.71Å; I43-C63 PolarHBondContact N-O 2.91Å; I43-C63 PolarHBondContact O-N 3.29Å
44	F	59.9	Low	54.3	Low	10 Å²	10	36.4 Å²	36.4	4%	0.044	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.1	165.1	-69.8	-50.5	0	0	0	108.5	E51 V52 L60 I62 V115 L131 L133	F44-E51 CarbonylContact O-C 3.46Å; F44-E51 VanDerWaalsContact O-CA 3.23Å; F44-E51 WeakPolarHBondContact O-CA 3.42Å; F44-V52 HydrophobicContact CB-CG2 4.27Å; F44-V52 WeakPolarHBondContact CB-O 3.38Å; F44-V52 PolarHBondContact O-N 3.46Å; F44-L60 HydrophobicContact CB-CD1 4.11Å; F44-L60 HydrophobicContact CD1-CD1 4.39Å; F44-L60 HydrophobicContact CD1-CD2 3.83Å; F44-L60 HydrophobicContact CD1-CG 4.31Å; F44-L60 HydrophobicContact CE1-CD2 4.17Å; F44-I62 HydrophobicContact CD1-CG1 3.94Å; F44-I62 HydrophobicContact CE1-CD1 4.19Å; F44-I62 HydrophobicContact CE1-CG1 3.83Å; F44-V115 HydrophobicContact CE1-CG2 3.95Å; F44-V115 HydrophobicContact CZ-CG2 4.08Å; F44-L131 HydrophobicContact CD2-CD2 3.76Å; F44-L131 HydrophobicContact CE2-CD2 3.04Å; F44-L131 HydrophobicContact CE2-CG 4.06Å; F44-L131 HydrophobicContact CZ-CD2 3.47Å; F44-L131 VanDerWaalsContact CZ-CD2 3.47Å; F44-L131 HydrophobicContact CZ-CG 4.29Å; F44-L133 HydrophobicContact CD2-CD2 3.8Å; F44-L133 HydrophobicContact CD2-CG 4.49Å; F44-L133 HydrophobicContact CE1-CD1 4.05Å; F44-L133 HydrophobicContact CE1-CD2 4.18Å; F44-L133 HydrophobicContact CE1-CG 4.29Å; F44-L133 HydrophobicContact CE2-CD1 4.15Å; F44-L133 HydrophobicContact CE2-CD2 3.25Å; F44-L133 HydrophobicContact CE2-CG 3.49Å; F44-L133 VanDerWaalsContact CE2-CG 3.49Å; F44-L133 HydrophobicContact CG-CD2 4.43Å; F44-L133 HydrophobicContact CZ-CD1 3.54Å; F44-L133 HydrophobicContact CZ-CD2 3.53Å; F44-L133 HydrophobicContact CZ-CG 3.41Å; F44-L133 VanDerWaalsContact CZ-CG 3.41Å
45	A	53.2	Low	53.9	Low	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.7	175.5	0	0	0	0	0	111.7	H50 V61	A45-H50 CarbonylContact C-O 3.42Å; A45-H50 WeakPolarHBondContact CA-O 3.2Å; A45-H50 WeakPolarHBondContact CB-O 3.25Å; A45-V61 PolarHBondContact N-O 3Å; A45-V61 PolarHBondContact O-N 3.36Å
46	D	50.8	Low	53.3	Low	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	175.6	166.2	66.1	14.4	0	0	0	110.9	F48 G49 H50 V52 D56	D46-F48 PolarHBondContact O-N 3.43Å; D46-F48 VanDerWaalsContact OD1-C 3.29Å; D46-F48 VanDerWaalsContact OD1-CA 3.29Å; D46-F48 WeakPolarHBondContact OD1-CA 3.46Å; D46-F48 WeakPolarHBondContact OD1-CB 3.11Å; D46-F48 PolarHBondContact OD1-N 3.31Å; D46-G49 PolarHBondContact O-N 2.92Å; D46-G49 PolarHBondContact OD1-N 3.15Å; D46-H50 PolarHBondContact N-O 3.07Å; D46-H50 IonicContact OD1-CG 3.99Å; D46-H50 PolarHBondContact OD1-N 2.98Å; D46-H50 IonicContact OD1-ND1 3.67Å; D46-H50 PolarHBondContact OD1-ND1 3.06Å; D46-H50 WeakPolarHBondContact OD2-CB 3.42Å; D46-H50 IonicContact OD2-CE1 2.65Å; D46-H50 IonicContact OD2-CG 3.72Å; D46-H50 IonicContact OD2-ND1 3.82Å; D46-H50 PolarHBondContact OD2-ND1 2.71Å; D46-V52 HydrophobicContact CB-CG1 3.96Å; D46-D56 HydrophobicContact CB-CB 4.32Å
47	M	45	Very low	52.3	Low	74 Å²	74	29 Å²	29	37%	0.365	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.1	176.8	61.3	151.7	31.7	0	0	114.4	L58 W105	M47-L58 HydrophobicContact CE-CB 3.94Å; M47-L58 HydrophobicContact CG-CB 3.78Å; M47-L58 HydrophobicContact CG-CD1 4.16Å; M47-L58 HydrophobicContact SD-CB 3.7Å; M47-L58 HydrophobicContact SD-CD1 3.74Å; M47-L58 HydrophobicContact SD-CG 4.27Å; M47-W105 HydrophobicContact CB-CH2 4.33Å; M47-W105 HydrophobicContact CB-CZ3 3.93Å
48	F	44.2	Very low	51.4	Low	68 Å²	68	29.6 Å²	29.6	30%	0.298	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.6	177.2	-52.7	-68.3	0	0	0	112.5	D46 H50 L58 L346 T388	D46-F48 PolarHBondContact O-N 3.43Å; D46-F48 VanDerWaalsContact OD1-C 3.29Å; D46-F48 VanDerWaalsContact OD1-CA 3.29Å; D46-F48 WeakPolarHBondContact OD1-CA 3.46Å; D46-F48 WeakPolarHBondContact OD1-CB 3.11Å; D46-F48 PolarHBondContact OD1-N 3.31Å; F48-H50 VanDerWaalsContact CB-CE1 3.44Å; F48-H50 WeakPolarHBondContact CB-CE1 3.32Å; F48-L58 HydrophobicContact CE2-CD1 3.74Å; F48-L58 HydrophobicContact CZ-CD1 3.91Å; F48-L346 HydrophobicContact CD1-CD2 3.84Å; F48-L346 HydrophobicContact CE1-CD2 3.65Å; F48-L346 HydrophobicContact CZ-CD1 4.31Å; F48-L346 HydrophobicContact CZ-CD2 4.23Å; F48-T388 HydrophobicContact CD1-CG2 4.07Å; F48-T388 HydrophobicContact CE1-CG2 4.07Å
49	G	46.5	Very low	50.6	Low	29 Å²	29	28.1 Å²	28.1	30%	0.299	15%	0.152	S	C	.	.			trans	87.4	11.3	179	0	0	0	0	0	114.5	D46	D46-G49 PolarHBondContact O-N 2.92Å; D46-G49 PolarHBondContact OD1-N 3.15Å
50	H	45.9	Very low	50.2	Low	63 Å²	63	27.9 Å²	27.9	29%	0.292	15%	0.15	S	C	.	.			trans	-76.9	135.2	174.1	-50.8	115.4	0	0	0	110	A45 D46 F48 V52	A45-H50 CarbonylContact C-O 3.42Å; A45-H50 WeakPolarHBondContact CA-O 3.2Å; A45-H50 WeakPolarHBondContact CB-O 3.25Å; D46-H50 PolarHBondContact N-O 3.07Å; D46-H50 IonicContact OD1-CG 3.99Å; D46-H50 PolarHBondContact OD1-N 2.98Å; D46-H50 IonicContact OD1-ND1 3.67Å; D46-H50 PolarHBondContact OD1-ND1 3.06Å; D46-H50 WeakPolarHBondContact OD2-CB 3.42Å; D46-H50 IonicContact OD2-CE1 2.65Å; D46-H50 IonicContact OD2-CG 3.72Å; D46-H50 IonicContact OD2-ND1 3.82Å; D46-H50 PolarHBondContact OD2-ND1 2.71Å; F48-H50 VanDerWaalsContact CB-CE1 3.44Å; F48-H50 WeakPolarHBondContact CB-CE1 3.32Å; H50-V52 WeakPolarHBondContact O-CG1 3.49Å; H50-V52 PolarHBondContact O-N 3.23Å
51	E	49.4	Very low	49.8	Very low	93 Å²	93	27.9 Å²	27.9	44%	0.435	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-67.5	118.4	175.8	-172.4	-179	164	0	0	110.3	K30 F44	K30-E51 IonicContact NZ-OE1 3.72Å; K30-E51 PolarHBondContact NZ-OE1 3.28Å; K30-E51 IonicContact NZ-OE2 3.85Å; K30-E51 PolarHBondContact NZ-OE2 3.07Å; F44-E51 CarbonylContact O-C 3.46Å; F44-E51 VanDerWaalsContact O-CA 3.23Å; F44-E51 WeakPolarHBondContact O-CA 3.42Å
52	V	48.9	Very low	49.6	Very low	5 Å²	5	27.8 Å²	27.8	3%	0.03	15%	0.149	C	C	.	.			trans	-116.1	140.9	-174.2	-66	0	0	0	0	111.5	F44 D46 H50 F54 L60 A151	F44-V52 HydrophobicContact CB-CG2 4.27Å; F44-V52 WeakPolarHBondContact CB-O 3.38Å; F44-V52 PolarHBondContact O-N 3.46Å; D46-V52 HydrophobicContact CB-CG1 3.96Å; H50-V52 WeakPolarHBondContact O-CG1 3.49Å; H50-V52 PolarHBondContact O-N 3.23Å; V52-F54 VanDerWaalsContact CG2-O 3.29Å; V52-F54 WeakPolarHBondContact CG2-O 3.41Å; V52-L60 HydrophobicContact CG2-CD1 3.7Å; V52-A151 HydrophobicContact CB-CB 3.44Å; V52-A151 VanDerWaalsContact CB-CB 3.44Å; V52-A151 HydrophobicContact CG1-CB 3.16Å; V52-A151 HydrophobicContact CG2-CB 4.32Å
53	P	45.7	Very low	49.3	Very low	17 Å²	17	27.3 Å²	27.3	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-83.7	-14.3	-179.8	34	-35.7	0	0	0	114	R163	P53-R163 HydrophobicContact CB-CB 4.44Å; P53-R163 VanDerWaalsContact CB-CD 3.5Å; P53-R163 HydrophobicContact CB-CG 3.62Å; P53-R163 HydrophobicContact CG-CG 4.47Å
54	F	49.6	Very low	49.4	Very low	10 Å²	10	26.3 Å²	26.3	4%	0.044	14%	0.142	C	C	.	.	S	Bend	trans	-146.4	177.9	-173.1	35.8	-132	0	0	0	109.2	V52 L138 F150 A151 C161	V52-F54 VanDerWaalsContact CG2-O 3.29Å; V52-F54 WeakPolarHBondContact CG2-O 3.41Å; F54-L138 HydrophobicContact CD1-CD1 4.37Å; F54-F150 VanDerWaalsContact CD2-O 3.29Å; F54-F150 WeakPolarHBondContact CD2-O 3.02Å; F54-F150 WeakPolarHBondContact CE2-O 3.26Å; F54-F150 WeakPolarHBondContact CZ-O 3.46Å; F54-A151 HydrophobicContact CD2-CB 3.48Å; F54-A151 VanDerWaalsContact CD2-CB 3.48Å; F54-A151 HydrophobicContact CE2-CB 3.34Å; F54-C161 HydrophobicContact CZ-CB 4.39Å
55	F	46.4	Very low	49.4	Very low	10 Å²	10	25.8 Å²	25.8	4%	0.044	14%	0.14	C	C	.	.			trans	-66.2	162	-176.7	-61.5	-57.7	0	0	0	113.4	L60 Y111 L133 M135 E149 F150 A151	F55-L60 HydrophobicContact CD1-CD2 3.67Å; F55-L60 HydrophobicContact CE1-CD2 3.74Å; F55-Y111 HydrophobicContact CB-CD2 3.65Å; F55-Y111 HydrophobicContact CB-CE2 3.21Å; F55-Y111 AromaticContact CD1-CD1 3.41Å; F55-Y111 HydrophobicContact CD1-CD1 3.41Å; F55-Y111 VanDerWaalsContact CD1-CD1 3.41Å; F55-Y111 AromaticContact CD1-CD2 3.15Å; F55-Y111 HydrophobicContact CD1-CD2 3.15Å; F55-Y111 AromaticContact CD1-CE1 3.63Å; F55-Y111 HydrophobicContact CD1-CE1 3.63Å; F55-Y111 AromaticContact CD1-CE2 3.39Å; F55-Y111 HydrophobicContact CD1-CE2 3.39Å; F55-Y111 AromaticContact CD1-CG 3.14Å; F55-Y111 HydrophobicContact CD1-CG 3.14Å; F55-Y111 AromaticContact CD1-CZ 3.57Å; F55-Y111 AromaticContact CD2-CD2 3.73Å; F55-Y111 HydrophobicContact CD2-CD2 3.73Å; F55-Y111 HydrophobicContact CD2-CE2 4.24Å; F55-Y111 HydrophobicContact CD2-CG 4.25Å; F55-Y111 AromaticContact CE1-CD1 3.57Å; F55-Y111 HydrophobicContact CE1-CD1 3.57Å; F55-Y111 AromaticContact CE1-CD2 3.68Å; F55-Y111 HydrophobicContact CE1-CD2 3.68Å; F55-Y111 HydrophobicContact CE1-CE1 4.23Å; F55-Y111 HydrophobicContact CE1-CE2 4.33Å; F55-Y111 AromaticContact CE1-CG 3.22Å; F55-Y111 HydrophobicContact CE1-CG 3.22Å; F55-Y111 HydrophobicContact CE2-CD2 4.19Å; F55-Y111 HydrophobicContact CE2-CG 4.31Å; F55-Y111 HydrophobicContact CG-CD1 4.32Å; F55-Y111 AromaticContact CG-CD2 3.19Å; F55-Y111 HydrophobicContact CG-CD2 3.19Å; F55-Y111 HydrophobicContact CG-CE1 4.43Å; F55-Y111 AromaticContact CG-CE2 3.34Å; F55-Y111 HydrophobicContact CG-CE2 3.34Å; F55-Y111 AromaticContact CG-CG 3.72Å; F55-Y111 HydrophobicContact CG-CG 3.72Å; F55-Y111 AromaticContact CG-CZ 3.93Å; F55-Y111 HydrophobicContact CZ-CD2 4.17Å; F55-Y111 AromaticContact CZ-CG 3.85Å; F55-Y111 HydrophobicContact CZ-CG 3.85Å; F55-L133 HydrophobicContact CE1-CD1 3.83Å; F55-L133 HydrophobicContact CE1-CD2 3.92Å; F55-L133 HydrophobicContact CE1-CG 4.42Å; F55-L133 HydrophobicContact CZ-CB 4.24Å; F55-L133 HydrophobicContact CZ-CD1 3.78Å; F55-L133 HydrophobicContact CZ-CD2 3.94Å; F55-L133 HydrophobicContact CZ-CG 4.19Å; F55-M135 HydrophobicContact CD2-CE 4.26Å; F55-M135 HydrophobicContact CD2-SD 4.25Å; F55-M135 HydrophobicContact CE2-CE 4.29Å; F55-M135 HydrophobicContact CE2-SD 3.96Å; F55-E149 CarbonylContact C-O 3.58Å; F55-E149 VanDerWaalsContact C-O 3.22Å; F55-E149 VanDerWaalsContact CA-O 3.27Å; F55-E149 WeakPolarHBondContact CA-O 3.29Å; F55-E149 HydrophobicContact CB-CB 4.18Å; F55-E149 VanDerWaalsContact CB-O 3.27Å; F55-E149 WeakPolarHBondContact CB-O 3.4Å; F55-E149 HydrophobicContact CD2-CB 4.1Å; F55-E149 WeakPolarHBondContact CD2-OE2 3.28Å; F55-E149 PolarHBondContact N-O 3.12Å; F55-F150 CarbonylContact O-C 3.36Å; F55-F150 VanDerWaalsContact O-CA 3.27Å; F55-F150 WeakPolarHBondContact O-CA 3.49Å; F55-A151 PolarHBondContact O-N 3.45Å
56	D	42.7	Very low	49.7	Very low	19 Å²	19	25.8 Å²	25.8	10%	0.102	14%	0.139	C	C	.	.			trans	-127.9	146.7	175.2	-176.3	18.1	0	0	0	109.1	D46 L58 G59 Y111	D46-D56 HydrophobicContact CB-CB 4.32Å; D56-L58 PolarHBondContact O-N 2.95Å; D56-G59 PolarHBondContact O-N 2.82Å; D56-Y111 PolarHBondContact N-OH 3.1Å; D56-Y111 PolarHBondContact O-OH 2.98Å
57	T	37.6	Very low	50.2	Low	83 Å²	83	26.4 Å²	26.4	51%	0.509	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	-179.3	53.9	0	0	0	0	112.9	F150	T57-F150 HydrophobicContact CG2-CD1 3.68Å; T57-F150 HydrophobicContact CG2-CE1 3.44Å; T57-F150 VanDerWaalsContact CG2-CE1 3.44Å; T57-F150 HydrophobicContact CG2-CZ 4.33Å
58	L	42.1	Very low	50.8	Low	61 Å²	61	23.7 Å²	23.7	32%	0.319	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.1	-173.3	-57.9	176.5	0	0	0	114	M47 F48 D56	M47-L58 HydrophobicContact CE-CB 3.94Å; M47-L58 HydrophobicContact CG-CB 3.78Å; M47-L58 HydrophobicContact CG-CD1 4.16Å; M47-L58 HydrophobicContact SD-CB 3.7Å; M47-L58 HydrophobicContact SD-CD1 3.74Å; M47-L58 HydrophobicContact SD-CG 4.27Å; F48-L58 HydrophobicContact CE2-CD1 3.74Å; F48-L58 HydrophobicContact CZ-CD1 3.91Å; D56-L58 PolarHBondContact O-N 2.95Å
59	G	45.8	Very low	51.3	Low	6 Å²	6	23.7 Å²	23.7	6%	0.062	14%	0.137	C	C	.	.			trans	106.9	146.3	-175.2	0	0	0	0	0	112.5	D56	D56-G59 PolarHBondContact O-N 2.82Å
60	L	52.6	Low	51.7	Low	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131	-176.7	-179	73.2	0	0	0	109.7	F44 V52 F55 L106 Y111	F44-L60 HydrophobicContact CB-CD1 4.11Å; F44-L60 HydrophobicContact CD1-CD1 4.39Å; F44-L60 HydrophobicContact CD1-CD2 3.83Å; F44-L60 HydrophobicContact CD1-CG 4.31Å; F44-L60 HydrophobicContact CE1-CD2 4.17Å; V52-L60 HydrophobicContact CG2-CD1 3.7Å; F55-L60 HydrophobicContact CD1-CD2 3.67Å; F55-L60 HydrophobicContact CE1-CD2 3.74Å; L60-L106 HydrophobicContact CB-CB 4.29Å; L60-L106 HydrophobicContact CD2-CD1 4.01Å; L60-L106 PolarHBondContact N-O 2.8Å; L60-L106 PolarHBondContact O-N 2.72Å; L60-Y111 HydrophobicContact CB-CD1 4.16Å; L60-Y111 HydrophobicContact CB-CE1 3.28Å; L60-Y111 HydrophobicContact CD2-CD1 4.31Å; L60-Y111 HydrophobicContact CD2-CE1 4.18Å; L60-Y111 HydrophobicContact CG-CE1 4.35Å; L60-Y111 PolarHBondContact N-OH 3.45Å
61	V	55.1	Low	52.4	Low	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.6	172.6	-166.3	0	0	0	0	109.6	M23 A45 E103 W105	M23-V61 HydrophobicContact CE-CB 4.2Å; M23-V61 HydrophobicContact CE-CG1 3.59Å; A45-V61 PolarHBondContact N-O 3Å; A45-V61 PolarHBondContact O-N 3.36Å; V61-E103 HydrophobicContact CG1-CB 4.38Å; V61-W105 HydrophobicContact CG1-CD2 4.29Å; V61-W105 HydrophobicContact CG1-CG 4.49Å; V61-W105 HydrophobicContact CG1-CZ2 4.27Å; V61-W105 HydrophobicContact CG2-CD2 3.63Å; V61-W105 HydrophobicContact CG2-CE3 3.5Å; V61-W105 HydrophobicContact CG2-CG 4.45Å; V61-W105 HydrophobicContact CG2-CH2 3.47Å; V61-W105 VanDerWaalsContact CG2-CH2 3.47Å; V61-W105 HydrophobicContact CG2-CZ2 3.6Å; V61-W105 HydrophobicContact CG2-CZ3 3.42Å; V61-W105 VanDerWaalsContact CG2-CZ3 3.42Å
62	I	58.4	Low	53.3	Low	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.1	169.1	-55.7	174.2	0	0	0	107.4	F44 V64 L79 E103 A104 L106 V115	F44-I62 HydrophobicContact CD1-CG1 3.94Å; F44-I62 HydrophobicContact CE1-CD1 4.19Å; F44-I62 HydrophobicContact CE1-CG1 3.83Å; I62-V64 HydrophobicContact CG2-CG2 3.76Å; I62-L79 HydrophobicContact CD1-CD2 3.69Å; I62-E103 CarbonylContact O-C 3.59Å; I62-E103 VanDerWaalsContact O-CA 3.24Å; I62-E103 WeakPolarHBondContact O-CA 3.18Å; I62-A104 PolarHBondContact N-O 2.64Å; I62-A104 PolarHBondContact O-N 3.26Å; I62-L106 HydrophobicContact CD1-CD1 3.17Å; I62-L106 HydrophobicContact CD1-CD2 4Å; I62-L106 HydrophobicContact CD1-CG 3.62Å; I62-L106 HydrophobicContact CG1-CD1 3.77Å; I62-L106 HydrophobicContact CG1-CG 4.03Å; I62-V115 HydrophobicContact CD1-CB 4.21Å; I62-V115 HydrophobicContact CD1-CG1 3.76Å; I62-V115 HydrophobicContact CD1-CG2 3.4Å; I62-V115 HydrophobicContact CG1-CG2 4.47Å; I62-V115 HydrophobicContact CG2-CG1 3.91Å
63	C	56.8	Low	54.5	Low	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.8	171	-173.9	0	0	0	0	109.5	M23 H42 I43 E103	M23-C63 HydrophobicContact CE-CB 4.41Å; H42-C63 CarbonylContact C-O 3.47Å; H42-C63 WeakPolarHBondContact CA-O 3.11Å; H42-C63 WeakPolarHBondContact CB-O 3.27Å; I43-C63 HydrophobicContact CD1-CB 4.25Å; I43-C63 HydrophobicContact CG1-CB 3.71Å; I43-C63 PolarHBondContact N-O 2.91Å; I43-C63 PolarHBondContact O-N 3.29Å; C63-E103 HydrophobicContact CB-CG 4.24Å
64	V	60.4	Low	55.8	Low	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.6	-178.5	-179.1	0	0	0	0	109.5	H42 I62 V66 I77 W101 M102 C117	H42-V64 HydrophobicContact CB-CG2 4.14Å; I62-V64 HydrophobicContact CG2-CG2 3.76Å; V64-V66 HydrophobicContact CG1-CG2 4.25Å; V64-I77 HydrophobicContact CB-CD1 4.13Å; V64-I77 HydrophobicContact CB-CG1 4.32Å; V64-I77 HydrophobicContact CG2-CD1 3.5Å; V64-I77 HydrophobicContact CG2-CG1 3.75Å; V64-W101 CarbonylContact O-C 3.6Å; V64-W101 WeakPolarHBondContact O-CA 3.39Å; V64-M102 WeakPolarHBondContact CA-O 3.29Å; V64-M102 HydrophobicContact CB-CB 4.29Å; V64-M102 HydrophobicContact CB-CE 4.4Å; V64-M102 WeakPolarHBondContact CB-O 3.48Å; V64-M102 HydrophobicContact CG1-CE 3.86Å; V64-M102 PolarHBondContact N-O 2.72Å; V64-M102 PolarHBondContact O-N 2.76Å; V64-C117 HydrophobicContact CG1-CB 3.55Å; V64-C117 VanDerWaalsContact CG1-SG 3.52Å; V64-C117 HydrophobicContact CG2-CB 4.39Å; V64-C117 WeakPolarHBondContact CG2-SG 3.48Å
65	C	59.8	Low	57.1	Low	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.8	-179.4	-154.8	0	0	0	0	110.5	C26 V40 G41 Y67 V99 W101	C26-C65 HydrophobicContact CB-CB 3.9Å; V40-C65 WeakPolarHBondContact CA-O 3.42Å; G41-C65 PolarHBondContact N-O 2.82Å; G41-C65 PolarHBondContact O-N 2.8Å; C65-Y67 HydrophobicContact CB-CE2 3.8Å; C65-Y67 WeakPolarHBondContact SG-CE2 3.47Å; C65-Y67 PolarHBondContact SG-OH 2.96Å; C65-V99 WeakPolarHBondContact SG-CG1 3.38Å; C65-W101 HydrophobicContact CB-CE3 4.4Å; C65-W101 HydrophobicContact CB-CZ3 4.49Å; C65-W101 WeakPolarHBondContact SG-CZ2 3.1Å
66	V	60.3	Low	58.6	Low	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.6	-179.7	178.9	0	0	0	0	109.2	V64 A75 T100 M102 F119	V64-V66 HydrophobicContact CG1-CG2 4.25Å; V66-A75 HydrophobicContact CG2-CB 4.49Å; V66-T100 PolarHBondContact N-O 3.15Å; V66-T100 PolarHBondContact O-N 2.86Å; V66-M102 HydrophobicContact CG2-CE 3.51Å; V66-F119 HydrophobicContact CG1-CB 3.96Å; V66-F119 HydrophobicContact CG1-CD1 3.83Å; V66-F119 HydrophobicContact CG1-CG 3.87Å
67	Y	61.6	Low	60.2	Low	14 Å²	14	41.7 Å²	41.7	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112	172.7	-59.9	-103.1	0	0	0	107.4	A28 M31 Y38 A39 C65 W94 V99	A28-Y67 HydrophobicContact CB-CE1 4.18Å; A28-Y67 HydrophobicContact CB-CE2 4.49Å; A28-Y67 WeakPolarHBondContact CB-OH 3.36Å; M31-Y67 HydrophobicContact CE-CD1 3.45Å; M31-Y67 VanDerWaalsContact CE-CD1 3.45Å; M31-Y67 HydrophobicContact CE-CD2 3.51Å; M31-Y67 HydrophobicContact CE-CE1 3.34Å; M31-Y67 HydrophobicContact CE-CE2 3.42Å; M31-Y67 VanDerWaalsContact CE-CE2 3.42Å; M31-Y67 HydrophobicContact CE-CG 3.57Å; M31-Y67 HydrophobicContact CG-CD2 4.26Å; M31-Y67 HydrophobicContact CG-CE2 4.2Å; M31-Y67 HydrophobicContact SD-CD2 4.17Å; M31-Y67 HydrophobicContact SD-CE2 4.42Å; M31-Y67 HydrophobicContact SD-CG 4.37Å; Y38-Y67 CarbonylContact C-O 3.22Å; Y38-Y67 WeakPolarHBondContact CA-O 3.43Å; Y38-Y67 WeakPolarHBondContact CB-O 3.13Å; A39-Y67 HydrophobicContact CB-CD2 4.23Å; A39-Y67 HydrophobicContact CB-CG 4.33Å; A39-Y67 PolarHBondContact N-O 2.75Å; A39-Y67 WeakPolarHBondContact O-CB 3.18Å; A39-Y67 PolarHBondContact O-N 3.47Å; C65-Y67 HydrophobicContact CB-CE2 3.8Å; C65-Y67 WeakPolarHBondContact SG-CE2 3.47Å; C65-Y67 PolarHBondContact SG-OH 2.96Å; Y67-W94 HydrophobicContact CD1-CD2 4.28Å; Y67-W94 AromaticContact CD1-CE3 3.56Å; Y67-W94 HydrophobicContact CD1-CE3 3.56Å; Y67-W94 HydrophobicContact CD1-CZ3 4.04Å; Y67-W94 HydrophobicContact CE1-CB 3.96Å; Y67-W94 AromaticContact CE1-CD2 3.5Å; Y67-W94 HydrophobicContact CE1-CD2 3.5Å; Y67-W94 AromaticContact CE1-CE3 3.24Å; Y67-W94 HydrophobicContact CE1-CE3 3.24Å; Y67-W94 AromaticContact CE1-CG 3.83Å; Y67-W94 HydrophobicContact CE1-CG 3.83Å; Y67-W94 AromaticContact CE1-CZ3 3.9Å; Y67-W94 HydrophobicContact CE1-CZ3 3.9Å; Y67-V99 HydrophobicContact CD1-CB 3.98Å; Y67-V99 HydrophobicContact CD1-CG1 3.54Å; Y67-V99 HydrophobicContact CD1-CG2 3.21Å; Y67-V99 HydrophobicContact CD2-CG1 3.96Å; Y67-V99 HydrophobicContact CE1-CB 3.92Å; Y67-V99 HydrophobicContact CE1-CG1 3.37Å; Y67-V99 HydrophobicContact CE1-CG2 3.25Å; Y67-V99 HydrophobicContact CE2-CG1 3.8Å; Y67-V99 HydrophobicContact CG-CG1 3.8Å; Y67-V99 HydrophobicContact CG-CG2 4.16Å; Y67-V99 VanDerWaalsContact CZ-CG1 3.46Å
68	A	57.1	Low	62.1	Low	17 Å²	17	39.8 Å²	39.8	14%	0.14	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.8	172.8	0	0	0	0	0	109.1	K70 Y72 F119	A68-K70 PolarHBondContact O-N 3.43Å; A68-Y72 HydrophobicContact CB-CD1 4.09Å; A68-F119 HydrophobicContact CB-CE2 4.47Å
69	V	54.2	Low	63.6	Low	69 Å²	69	37.4 Å²	37.4	42%	0.418	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.8	-175.1	-179.8	0	0	0	0	112	D37	D37-V69 HydrophobicContact CB-CB 4.4Å; D37-V69 VanDerWaalsContact O-CB 3.25Å; D37-V69 WeakPolarHBondContact O-CB 3.49Å; D37-V69 VanDerWaalsContact O-CG2 3.28Å; D37-V69 WeakPolarHBondContact O-CG2 3.49Å; D37-V69 PolarHBondContact O-N 3.09Å
70	K	54.5	Low	64.9	Low	159 Å²	159	43.5 Å²	43.5	69%	0.691	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.5	25.3	-171.3	-68.3	-171.1	178.3	175.8	0	116.1	A68	A68-K70 PolarHBondContact O-N 3.43Å
71	S	62.3	Low	65.8	Low	79 Å²	79	50 Å²	50	55%	0.552	24%	0.237	S	C	*	.			trans	79.1	140.1	-175	78.5	0	0	0	0	115.1
72	Y	68.3	Low	66.9	Low	68 Å²	68	54.5 Å²	54.5	27%	0.267	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.7	170	67.5	-80.4	0	0	0	108.6	A68 A75 T100 E120	A68-Y72 HydrophobicContact CB-CD1 4.09Å; Y72-A75 HydrophobicContact CD2-CB 3.72Å; Y72-A75 HydrophobicContact CE2-CB 3.55Å; Y72-T100 HydrophobicContact CE1-CG2 4.32Å; Y72-T100 WeakPolarHBondContact CE1-OG1 3.25Å; Y72-T100 WeakPolarHBondContact OH-CB 3.45Å; Y72-T100 WeakPolarHBondContact OH-CG2 3.24Å; Y72-T100 PolarHBondContact OH-OG1 2.97Å; Y72-E120 CarbonylContact C-O 3.52Å; Y72-E120 WeakPolarHBondContact CA-O 3.23Å; Y72-E120 WeakPolarHBondContact CB-O 3.24Å
73	R	72.4	Confident	67.9	Low	188 Å²	188	57.9 Å²	57.9	71%	0.709	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	-47	-179.6	-175.4	-171.9	-179.3	-170.3	1.3	112	E120	R73-E120 WeakPolarHBondContact CD-OE1 3.27Å; R73-E120 IonicContact CZ-OE1 3.64Å; R73-E120 PolarHBondContact N-O 3.37Å; R73-E120 IonicContact NH1-OE1 3.5Å; R73-E120 PolarHBondContact NH1-OE1 2.82Å
74	K	74.5	Confident	68.8	Low	111 Å²	111	60.8 Å²	60.8	48%	0.483	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.1	-179.7	-170	-176	179.4	-160.8	0	108.3	D83 F119 E120	K74-D83 IonicContact NZ-OD2 2.75Å; K74-F119 CarbonylContact O-C 3.46Å; K74-F119 VanDerWaalsContact O-CA 3.25Å; K74-F119 WeakPolarHBondContact O-CA 3.36Å; K74-E120 PolarHBondContact O-N 2.82Å
75	A	76.4	Confident	69.2	Low	14 Å²	14	65.2 Å²	65.2	12%	0.116	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.8	168.9	0	0	0	0	0	108.2	V66 Y72 M102 H118 F119	V66-A75 HydrophobicContact CG2-CB 4.49Å; Y72-A75 HydrophobicContact CD2-CB 3.72Å; Y72-A75 HydrophobicContact CE2-CB 3.55Å; A75-M102 VanDerWaalsContact C-SD 3.55Å; A75-M102 HydrophobicContact CB-CE 3.56Å; A75-M102 HydrophobicContact CB-SD 3.41Å; A75-M102 WeakPolarHBondContact CB-SD 3.23Å; A75-H118 CarbonylContact C-O 3.55Å; A75-H118 WeakPolarHBondContact CA-O 3.31Å; A75-F119 HydrophobicContact CB-CB 3.85Å
76	G	76.8	Confident	69.4	Low	5 Å²	5	66.5 Å²	66.5	5%	0.052	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	169	-176.5	0	0	0	0	0	112.6	H118	G76-H118 PolarHBondContact N-O 3.39Å; G76-H118 PolarHBondContact O-N 3.06Å; G76-H118 PolarHBondContact O-ND1 3.13Å
77	I	76.4	Confident	69.4	Low	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.6	176	-55.9	178.7	0	0	0	105.9	V64 L79 D83 H84 P86 M102 A104 V115 E116	V64-I77 HydrophobicContact CB-CD1 4.13Å; V64-I77 HydrophobicContact CB-CG1 4.32Å; V64-I77 HydrophobicContact CG2-CD1 3.5Å; V64-I77 HydrophobicContact CG2-CG1 3.75Å; I77-L79 HydrophobicContact CG2-CD2 3.9Å; I77-L79 HydrophobicContact CG2-CG 4.36Å; I77-D83 CarbonylContact O-C 3.5Å; I77-H84 PolarHBondContact O-N 2.83Å; I77-H84 VanDerWaalsContact O-O 3.04Å; I77-P86 HydrophobicContact CD1-CB 4.26Å; I77-M102 HydrophobicContact CD1-CB 4.19Å; I77-A104 HydrophobicContact CD1-CB 3.55Å; I77-A104 HydrophobicContact CG2-CB 4.33Å; I77-V115 HydrophobicContact CG2-CG1 3.82Å; I77-E116 CarbonylContact C-O 3.57Å
78	K	77.8	Confident	69.1	Low	43 Å²	43	70.5 Å²	70.5	19%	0.187	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.8	175	-97.5	-171.9	170.1	-178	0	108.6	T82 D83 V115 E116 R126	K78-T82 CarbonylContact C-O 3.55Å; K78-T82 VanDerWaalsContact CA-O 3.24Å; K78-T82 WeakPolarHBondContact CA-O 3.09Å; K78-D83 WeakPolarHBondContact CE-OD1 3.48Å; K78-D83 WeakPolarHBondContact CG-OD1 3.35Å; K78-V115 WeakPolarHBondContact O-CA 3.24Å; K78-E116 HydrophobicContact CB-CB 3.79Å; K78-E116 WeakPolarHBondContact CB-O 3.23Å; K78-E116 WeakPolarHBondContact CD-OE2 3.07Å; K78-E116 PolarHBondContact N-O 3.26Å; K78-E116 IonicContact NZ-OE2 3.89Å; K78-E116 PolarHBondContact O-N 2.85Å; K78-R126 VanDerWaalsContact CD-NH2 3.28Å
79	L	75	Confident	69.3	Low	11 Å²	11	74.1 Å²	74.1	6%	0.058	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.5	176.7	-49.8	172.8	0	0	0	106.9	I62 I77 D81 T82 H84 L106 P112 V115	I62-L79 HydrophobicContact CD1-CD2 3.69Å; I77-L79 HydrophobicContact CG2-CD2 3.9Å; I77-L79 HydrophobicContact CG2-CG 4.36Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 2.93Å; L79-T82 PolarHBondContact N-O 3.45Å; L79-T82 PolarHBondContact O-N 3.45Å; L79-T82 PolarHBondContact O-OG1 2.71Å; L79-H84 HydrophobicContact CB-CB 4.49Å; L79-H84 HydrophobicContact CD1-CB 3.6Å; L79-H84 WeakPolarHBondContact CD1-CD2 3.25Å; L79-H84 VanDerWaalsContact CD1-CG 3.42Å; L79-H84 HydrophobicContact CG-CB 3.76Å; L79-L106 HydrophobicContact CD1-CD2 3.26Å; L79-L106 HydrophobicContact CD2-CD1 4.46Å; L79-L106 HydrophobicContact CD2-CD2 3.94Å; L79-L106 HydrophobicContact CG-CD2 4.24Å; L79-P112 HydrophobicContact CB-CB 4.4Å; L79-P112 HydrophobicContact CD2-CG 3.99Å; L79-V115 HydrophobicContact CD2-CB 4.46Å; L79-V115 HydrophobicContact CD2-CG1 4.04Å; L79-V115 HydrophobicContact CD2-CG2 3.97Å
80	R	71.8	Confident	69.5	Low	133 Å²	133	72.6 Å²	72.6	50%	0.502	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	46.4	-179.8	-55.1	177.1	178.5	165.7	-3.1	112.1	T82 E109 D110 Y111 P112	R80-T82 PolarHBondContact O-N 2.83Å; R80-T82 PolarHBondContact O-OG1 3.26Å; R80-E109 PolarHBondContact NH2-O 3.03Å; R80-D110 IonicContact NH1-OD1 2.58Å; R80-D110 VanDerWaalsContact NH2-C 3.3Å; R80-Y111 PolarHBondContact NH2-O 2.75Å; R80-P112 HydrophobicContact CG-CB 3.87Å
81	D	72.7	Confident	69.7	Low	136 Å²	136	68.8 Å²	68.8	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-2.5	-176.5	-61.7	-51	0	0	0	117.4	L79	L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 2.93Å
82	T	77.4	Confident	69.3	Low	96 Å²	96	67.3 Å²	67.3	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.7	176.4	16.2	0	0	0	0	112	K78 L79 R80 H84	K78-T82 CarbonylContact C-O 3.55Å; K78-T82 VanDerWaalsContact CA-O 3.24Å; K78-T82 WeakPolarHBondContact CA-O 3.09Å; L79-T82 PolarHBondContact N-O 3.45Å; L79-T82 PolarHBondContact O-N 3.45Å; L79-T82 PolarHBondContact O-OG1 2.71Å; R80-T82 PolarHBondContact O-N 2.83Å; R80-T82 PolarHBondContact O-OG1 3.26Å; T82-H84 PolarHBondContact O-N 3.22Å; T82-H84 VanDerWaalsContact O-N 3.13Å
83	D	79.5	Confident	68.6	Low	72 Å²	72	68 Å²	68	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	113.3	172.6	-86.5	3.3	0	0	0	108.5	K74 I77 K78 H118 R126	K74-D83 IonicContact NZ-OD2 2.75Å; I77-D83 CarbonylContact O-C 3.5Å; K78-D83 WeakPolarHBondContact CE-OD1 3.48Å; K78-D83 WeakPolarHBondContact CG-OD1 3.35Å; D83-H118 IonicContact OD1-CE1 2.81Å; D83-H118 PolarHBondContact OD1-CE1 3.07Å; D83-H118 IonicContact OD1-NE2 2.71Å; D83-H118 IonicContact OD2-NE2 2.9Å; D83-R126 IonicContact OD1-NH1 2.8Å; D83-R126 IonicContact OD1-NH2 3.05Å
84	H	74.7	Confident	67.4	Low	62 Å²	62	62.2 Å²	62.2	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.8	172.9	-163.2	-83.3	0	0	0	109.6	I77 L79 T82	I77-H84 PolarHBondContact O-N 2.83Å; I77-H84 VanDerWaalsContact O-O 3.04Å; L79-H84 HydrophobicContact CB-CB 4.49Å; L79-H84 HydrophobicContact CD1-CB 3.6Å; L79-H84 WeakPolarHBondContact CD1-CD2 3.25Å; L79-H84 VanDerWaalsContact CD1-CG 3.42Å; L79-H84 HydrophobicContact CG-CB 3.76Å; T82-H84 PolarHBondContact O-N 3.22Å; T82-H84 VanDerWaalsContact O-N 3.13Å
85	P	69.6	Low	66.3	Low	92 Å²	92	62.2 Å²	62.2	60%	0.597	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-62.8	131.5	172.2	27.6	-31.9	0	0	0	108.6	D87	P85-D87 PolarHBondContact O-N 3.27Å
86	P	64.6	Low	65.2	Low	27 Å²	27	64.7 Å²	64.7	18%	0.175	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-66.7	133.5	171.9	29.5	-35.1	0	0	0	109.1	I77 F88 I89 M102 E103	I77-P86 HydrophobicContact CD1-CB 4.26Å; P86-F88 PolarHBondContact O-N 3.34Å; P86-I89 HydrophobicContact CB-CG1 4Å; P86-I89 HydrophobicContact CG-CD1 3.43Å; P86-I89 VanDerWaalsContact CG-CD1 3.43Å; P86-I89 HydrophobicContact CG-CG1 3.4Å; P86-I89 VanDerWaalsContact CG-CG1 3.4Å; P86-M102 HydrophobicContact CB-CB 3.82Å; P86-M102 HydrophobicContact CB-CG 4.34Å; P86-M102 HydrophobicContact CG-CB 4.34Å; P86-M102 HydrophobicContact CG-CG 4.33Å; P86-M102 HydrophobicContact CG-SD 4.35Å; P86-E103 CarbonylContact C-O 3.54Å; P86-E103 WeakPolarHBondContact CA-O 3.12Å; P86-E103 WeakPolarHBondContact CB-O 3.4Å
87	D	60.4	Low	64.3	Low	65 Å²	65	68.9 Å²	68.9	35%	0.348	38%	0.375	S	S	.	.	S	Bend	trans	-65.8	-32	176.1	-57.4	-59.6	0	0	0	110.7	P85 E103 A104 W105	P85-D87 PolarHBondContact O-N 3.27Å; D87-E103 PolarHBondContact N-O 2.65Å; D87-A104 VanDerWaalsContact OD2-CA 3.27Å; D87-A104 WeakPolarHBondContact OD2-CA 3.41Å; D87-W105 PolarHBondContact OD2-N 2.83Å
88	F	55.6	Low	63.6	Low	34 Å²	34	73.8 Å²	73.8	15%	0.149	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136	176.6	179.9	-112.4	0	0	0	111.4	P86 T90 M102 E103	P86-F88 PolarHBondContact O-N 3.34Å; F88-T90 HydrophobicContact CD1-CG2 4.36Å; F88-T90 HydrophobicContact CE1-CG2 3.35Å; F88-T90 HydrophobicContact CZ-CG2 3.66Å; F88-M102 CarbonylContact O-C 3.43Å; F88-M102 WeakPolarHBondContact O-CA 3.34Å; F88-E103 HydrophobicContact CB-CB 4.08Å; F88-E103 HydrophobicContact CB-CG 4.47Å; F88-E103 HydrophobicContact CD1-CG 4.07Å; F88-E103 PolarHBondContact N-O 2.68Å; F88-E103 PolarHBondContact O-N 2.73Å
89	I	60.5	Low	62.8	Low	92 Å²	92	71.7 Å²	71.7	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.6	167.3	-50	-177.3	0	0	0	109.3	P86 T100 W101 M102	P86-I89 HydrophobicContact CB-CG1 4Å; P86-I89 HydrophobicContact CG-CD1 3.43Å; P86-I89 VanDerWaalsContact CG-CD1 3.43Å; P86-I89 HydrophobicContact CG-CG1 3.4Å; P86-I89 VanDerWaalsContact CG-CG1 3.4Å; I89-T100 HydrophobicContact CG2-CG2 3.7Å; I89-W101 CarbonylContact C-O 3.54Å; I89-W101 WeakPolarHBondContact CA-O 3.11Å; I89-W101 WeakPolarHBondContact CG2-O 3.07Å; I89-M102 HydrophobicContact CG1-CG 4.13Å; I89-M102 HydrophobicContact CG2-CG 4.19Å
90	T	58	Low	62.4	Low	38 Å²	38	71.5 Å²	71.5	23%	0.233	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.6	169.4	-169	0	0	0	0	111.9	P22 F88 T100 W101	P22-T90 HydrophobicContact CG-CG2 4.36Å; F88-T90 HydrophobicContact CD1-CG2 4.36Å; F88-T90 HydrophobicContact CE1-CG2 3.35Å; F88-T90 HydrophobicContact CZ-CG2 3.66Å; T90-T100 CarbonylContact O-C 3.52Å; T90-T100 WeakPolarHBondContact O-CA 3.08Å; T90-W101 HydrophobicContact CG2-CB 3.63Å; T90-W101 HydrophobicContact CG2-CG 3.98Å; T90-W101 PolarHBondContact N-O 3.46Å; T90-W101 PolarHBondContact O-N 2.9Å
91	T	59.8	Low	62	Low	78 Å²	78	65.6 Å²	65.6	48%	0.479	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.8	173.7	-53.8	0	0	0	0	108.7	N98 V99	T91-N98 HydrophobicContact CG2-CB 4.03Å; T91-V99 CarbonylContact C-O 3.54Å; T91-V99 VanDerWaalsContact CA-O 3.25Å; T91-V99 WeakPolarHBondContact CA-O 3.48Å
92	T	53.9	Low	61.5	Low	48 Å²	48	59.1 Å²	59.1	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	170.5	177	-158.8	0	0	0	0	111	N98 V99 W101	T92-N98 CarbonylContact O-C 3.45Å; T92-N98 WeakPolarHBondContact O-CA 3.48Å; T92-V99 HydrophobicContact CG2-CB 4.35Å; T92-V99 PolarHBondContact N-O 2.91Å; T92-V99 PolarHBondContact O-N 2.81Å; T92-W101 HydrophobicContact CG2-CZ2 4.06Å
93	L	52.5	Low	60.7	Low	83 Å²	83	54.8 Å²	54.8	44%	0.435	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.2	171.9	-75.9	162.3	0	0	0	110.3	E97 N98	L93-E97 CarbonylContact C-O 3.48Å; L93-E97 WeakPolarHBondContact CA-O 3.29Å; L93-N98 WeakPolarHBondContact CD2-OD1 3.4Å
94	W	48.2	Very low	59.9	Low	66 Å²	66	51.4 Å²	51.4	25%	0.25	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127	172.4	-177	73.7	0	0	0	110	A28 M31 Y67 G96 E97 V99	A28-W94 HydrophobicContact CB-CD2 3.86Å; A28-W94 HydrophobicContact CB-CE3 4.47Å; A28-W94 HydrophobicContact CB-CG 4.4Å; A28-W94 HydrophobicContact CB-CH2 3.89Å; A28-W94 HydrophobicContact CB-CZ2 3.18Å; A28-W94 HydrophobicContact CB-CZ3 4.48Å; M31-W94 HydrophobicContact CE-CD2 4.46Å; M31-W94 HydrophobicContact CE-CE3 3.81Å; M31-W94 HydrophobicContact CE-CH2 3.28Å; M31-W94 HydrophobicContact CE-CZ2 4.02Å; M31-W94 HydrophobicContact CE-CZ3 3.16Å; M31-W94 HydrophobicContact SD-CH2 4.43Å; M31-W94 HydrophobicContact SD-CZ3 4.43Å; Y67-W94 HydrophobicContact CD1-CD2 4.28Å; Y67-W94 AromaticContact CD1-CE3 3.56Å; Y67-W94 HydrophobicContact CD1-CE3 3.56Å; Y67-W94 HydrophobicContact CD1-CZ3 4.04Å; Y67-W94 HydrophobicContact CE1-CB 3.96Å; Y67-W94 AromaticContact CE1-CD2 3.5Å; Y67-W94 HydrophobicContact CE1-CD2 3.5Å; Y67-W94 AromaticContact CE1-CE3 3.24Å; Y67-W94 HydrophobicContact CE1-CE3 3.24Å; Y67-W94 AromaticContact CE1-CG 3.83Å; Y67-W94 HydrophobicContact CE1-CG 3.83Å; Y67-W94 AromaticContact CE1-CZ3 3.9Å; Y67-W94 HydrophobicContact CE1-CZ3 3.9Å; W94-G96 PolarHBondContact O-N 3.46Å; W94-E97 PolarHBondContact N-O 3.11Å; W94-E97 PolarHBondContact O-N 2.75Å; W94-V99 HydrophobicContact CB-CG2 3.49Å; W94-V99 VanDerWaalsContact CB-CG2 3.49Å
95	N	50.4	Low	59.1	Low	111 Å²	111	53.2 Å²	53.2	59%	0.594	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	32.7	-175	-69.7	-18	0	0	0	113.9
96	G	54.5	Low	58.5	Low	66 Å²	66	49.1 Å²	49.1	68%	0.68	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-2	-179	0	0	0	0	0	115.6	W94	W94-G96 PolarHBondContact O-N 3.46Å
97	E	56	Low	57.9	Low	94 Å²	94	52.2 Å²	52.2	44%	0.439	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149	-177.9	-66.3	-66.4	162.2	0	0	111.8	L93 W94	L93-E97 CarbonylContact C-O 3.48Å; L93-E97 WeakPolarHBondContact CA-O 3.29Å; W94-E97 PolarHBondContact N-O 3.11Å; W94-E97 PolarHBondContact O-N 2.75Å
98	N	62	Low	57.3	Low	102 Å²	102	52 Å²	52	55%	0.545	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.2	175.5	-76.6	-23.7	0	0	0	110.7	T91 T92 L93	T91-N98 HydrophobicContact CG2-CB 4.03Å; T92-N98 CarbonylContact O-C 3.45Å; T92-N98 WeakPolarHBondContact O-CA 3.48Å; L93-N98 WeakPolarHBondContact CD2-OD1 3.4Å
99	V	62.6	Low	57.1	Low	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.4	-176.9	-174.9	0	0	0	0	109	C65 Y67 T91 T92 W94 W101	C65-V99 WeakPolarHBondContact SG-CG1 3.38Å; Y67-V99 HydrophobicContact CD1-CB 3.98Å; Y67-V99 HydrophobicContact CD1-CG1 3.54Å; Y67-V99 HydrophobicContact CD1-CG2 3.21Å; Y67-V99 HydrophobicContact CD2-CG1 3.96Å; Y67-V99 HydrophobicContact CE1-CB 3.92Å; Y67-V99 HydrophobicContact CE1-CG1 3.37Å; Y67-V99 HydrophobicContact CE1-CG2 3.25Å; Y67-V99 HydrophobicContact CE2-CG1 3.8Å; Y67-V99 HydrophobicContact CG-CG1 3.8Å; Y67-V99 HydrophobicContact CG-CG2 4.16Å; Y67-V99 VanDerWaalsContact CZ-CG1 3.46Å; T91-V99 CarbonylContact C-O 3.54Å; T91-V99 VanDerWaalsContact CA-O 3.25Å; T91-V99 WeakPolarHBondContact CA-O 3.48Å; T92-V99 HydrophobicContact CG2-CB 4.35Å; T92-V99 PolarHBondContact N-O 2.91Å; T92-V99 PolarHBondContact O-N 2.81Å; W94-V99 HydrophobicContact CB-CG2 3.49Å; W94-V99 VanDerWaalsContact CB-CG2 3.49Å; V99-W101 HydrophobicContact CG1-CZ2 4.37Å; V99-W101 VanDerWaalsContact O-CD1 3.25Å; V99-W101 PolarHBondContact O-NE1 3.18Å
100	T	65.4	Low	56.8	Low	6 Å²	6	57.1 Å²	57.1	4%	0.037	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.6	177.4	-60.6	0	0	0	0	110.3	V66 Y72 I89 T90 M102	V66-T100 PolarHBondContact N-O 3.15Å; V66-T100 PolarHBondContact O-N 2.86Å; Y72-T100 HydrophobicContact CE1-CG2 4.32Å; Y72-T100 WeakPolarHBondContact CE1-OG1 3.25Å; Y72-T100 WeakPolarHBondContact OH-CB 3.45Å; Y72-T100 WeakPolarHBondContact OH-CG2 3.24Å; Y72-T100 PolarHBondContact OH-OG1 2.97Å; I89-T100 HydrophobicContact CG2-CG2 3.7Å; T90-T100 CarbonylContact O-C 3.52Å; T90-T100 WeakPolarHBondContact O-CA 3.08Å; T100-M102 HydrophobicContact CG2-CG 4.22Å
101	W	63.8	Low	57	Low	9 Å²	9	56.5 Å²	56.5	3%	0.034	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.6	179.7	-60.1	74.6	0	0	0	107.1	P22 C26 V64 C65 I89 T90 T92 V99	P22-W101 HydrophobicContact CB-CD2 4.48Å; P22-W101 HydrophobicContact CB-CE3 4.36Å; P22-W101 HydrophobicContact CB-CZ3 4.5Å; C26-W101 HydrophobicContact CB-CE3 3.94Å; C26-W101 HydrophobicContact CB-CH2 3.22Å; C26-W101 HydrophobicContact CB-CZ2 4.42Å; C26-W101 HydrophobicContact CB-CZ3 2.94Å; V64-W101 CarbonylContact O-C 3.6Å; V64-W101 WeakPolarHBondContact O-CA 3.39Å; C65-W101 HydrophobicContact CB-CE3 4.4Å; C65-W101 HydrophobicContact CB-CZ3 4.49Å; C65-W101 WeakPolarHBondContact SG-CZ2 3.1Å; I89-W101 CarbonylContact C-O 3.54Å; I89-W101 WeakPolarHBondContact CA-O 3.11Å; I89-W101 WeakPolarHBondContact CG2-O 3.07Å; T90-W101 HydrophobicContact CG2-CB 3.63Å; T90-W101 HydrophobicContact CG2-CG 3.98Å; T90-W101 PolarHBondContact N-O 3.46Å; T90-W101 PolarHBondContact O-N 2.9Å; T92-W101 HydrophobicContact CG2-CZ2 4.06Å; V99-W101 HydrophobicContact CG1-CZ2 4.37Å; V99-W101 VanDerWaalsContact O-CD1 3.25Å; V99-W101 PolarHBondContact O-NE1 3.18Å
102	M	61.5	Low	57.1	Low	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.6	177.9	-63.5	-179.1	-62	0	0	107.7	V64 V66 A75 I77 P86 F88 I89 T100	V64-M102 WeakPolarHBondContact CA-O 3.29Å; V64-M102 HydrophobicContact CB-CB 4.29Å; V64-M102 HydrophobicContact CB-CE 4.4Å; V64-M102 WeakPolarHBondContact CB-O 3.48Å; V64-M102 HydrophobicContact CG1-CE 3.86Å; V64-M102 PolarHBondContact N-O 2.72Å; V64-M102 PolarHBondContact O-N 2.76Å; V66-M102 HydrophobicContact CG2-CE 3.51Å; A75-M102 VanDerWaalsContact C-SD 3.55Å; A75-M102 HydrophobicContact CB-CE 3.56Å; A75-M102 HydrophobicContact CB-SD 3.41Å; A75-M102 WeakPolarHBondContact CB-SD 3.23Å; I77-M102 HydrophobicContact CD1-CB 4.19Å; P86-M102 HydrophobicContact CB-CB 3.82Å; P86-M102 HydrophobicContact CB-CG 4.34Å; P86-M102 HydrophobicContact CG-CB 4.34Å; P86-M102 HydrophobicContact CG-CG 4.33Å; P86-M102 HydrophobicContact CG-SD 4.35Å; F88-M102 CarbonylContact O-C 3.43Å; F88-M102 WeakPolarHBondContact O-CA 3.34Å; I89-M102 HydrophobicContact CG1-CG 4.13Å; I89-M102 HydrophobicContact CG2-CG 4.19Å; T100-M102 HydrophobicContact CG2-CG 4.22Å
103	E	61.6	Low	57.5	Low	5 Å²	5	59.6 Å²	59.6	2%	0.023	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.4	175.3	-55.6	169.8	-175.8	0	0	108.8	V61 I62 C63 P86 D87 F88	V61-E103 HydrophobicContact CG1-CB 4.38Å; I62-E103 CarbonylContact O-C 3.59Å; I62-E103 VanDerWaalsContact O-CA 3.24Å; I62-E103 WeakPolarHBondContact O-CA 3.18Å; C63-E103 HydrophobicContact CB-CG 4.24Å; P86-E103 CarbonylContact C-O 3.54Å; P86-E103 WeakPolarHBondContact CA-O 3.12Å; P86-E103 WeakPolarHBondContact CB-O 3.4Å; D87-E103 PolarHBondContact N-O 2.65Å; F88-E103 HydrophobicContact CB-CB 4.08Å; F88-E103 HydrophobicContact CB-CG 4.47Å; F88-E103 HydrophobicContact CD1-CG 4.07Å; F88-E103 PolarHBondContact N-O 2.68Å; F88-E103 PolarHBondContact O-N 2.73Å
104	A	62.3	Low	58.3	Low	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	167.8	0	0	0	0	0	108.9	I62 I77 D87	I62-A104 PolarHBondContact N-O 2.64Å; I62-A104 PolarHBondContact O-N 3.26Å; I77-A104 HydrophobicContact CD1-CB 3.55Å; I77-A104 HydrophobicContact CG2-CB 4.33Å; D87-A104 VanDerWaalsContact OD2-CA 3.27Å; D87-A104 WeakPolarHBondContact OD2-CA 3.41Å
105	W	58.7	Low	59.4	Low	101 Å²	101	53.9 Å²	53.9	38%	0.383	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.6	174.9	-70.5	70.6	0	0	0	108.2	M47 V61 D87	M47-W105 HydrophobicContact CB-CH2 4.33Å; M47-W105 HydrophobicContact CB-CZ3 3.93Å; V61-W105 HydrophobicContact CG1-CD2 4.29Å; V61-W105 HydrophobicContact CG1-CG 4.49Å; V61-W105 HydrophobicContact CG1-CZ2 4.27Å; V61-W105 HydrophobicContact CG2-CD2 3.63Å; V61-W105 HydrophobicContact CG2-CE3 3.5Å; V61-W105 HydrophobicContact CG2-CG 4.45Å; V61-W105 HydrophobicContact CG2-CH2 3.47Å; V61-W105 VanDerWaalsContact CG2-CH2 3.47Å; V61-W105 HydrophobicContact CG2-CZ2 3.6Å; V61-W105 HydrophobicContact CG2-CZ3 3.42Å; V61-W105 VanDerWaalsContact CG2-CZ3 3.42Å; D87-W105 PolarHBondContact OD2-N 2.83Å
106	L	55.5	Low	60.6	Low	5 Å²	5	49.9 Å²	49.9	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.2	177.6	-55.2	-175.1	0	0	0	109.5	L60 I62 L79 Y111 P112	L60-L106 HydrophobicContact CB-CB 4.29Å; L60-L106 HydrophobicContact CD2-CD1 4.01Å; L60-L106 PolarHBondContact N-O 2.8Å; L60-L106 PolarHBondContact O-N 2.72Å; I62-L106 HydrophobicContact CD1-CD1 3.17Å; I62-L106 HydrophobicContact CD1-CD2 4Å; I62-L106 HydrophobicContact CD1-CG 3.62Å; I62-L106 HydrophobicContact CG1-CD1 3.77Å; I62-L106 HydrophobicContact CG1-CG 4.03Å; L79-L106 HydrophobicContact CD1-CD2 3.26Å; L79-L106 HydrophobicContact CD2-CD1 4.46Å; L79-L106 HydrophobicContact CD2-CD2 3.94Å; L79-L106 HydrophobicContact CG-CD2 4.24Å; L106-Y111 HydrophobicContact CB-CD1 3.91Å; L106-Y111 HydrophobicContact CB-CE1 3.98Å; L106-Y111 HydrophobicContact CD1-CD1 4.32Å; L106-P112 HydrophobicContact CD1-CG 3.96Å
107	D	52	Low	61.5	Low	92 Å²	92	46.8 Å²	46.8	49%	0.492	23%	0.228	S	C	.	.			trans	-67.1	152.1	165.3	-72.3	-35.9	0	0	0	109.8	E109 D110 Y111	D107-E109 PolarHBondContact O-N 2.92Å; D107-E109 VanDerWaalsContact O-N 3.11Å; D107-D110 HydrophobicContact CB-CB 4.48Å; D107-D110 PolarHBondContact O-N 2.82Å; D107-Y111 WeakPolarHBondContact O-CD1 3.43Å; D107-Y111 WeakPolarHBondContact O-CE1 3.17Å; D107-Y111 PolarHBondContact O-N 2.89Å
108	P	48.9	Very low	62.6	Low	62 Å²	62	42.5 Å²	42.5	40%	0.403	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30	179.7	-27.7	35.2	0	0	0	115.5	D110 Y111	P108-D110 VanDerWaalsContact C-N 3.34Å; P108-Y111 VanDerWaalsContact CA-CZ 3.44Å; P108-Y111 HydrophobicContact CB-CD2 4.4Å; P108-Y111 HydrophobicContact CB-CE2 3.76Å; P108-Y111 HydrophobicContact CG-CE2 4.42Å; P108-Y111 WeakPolarHBondContact O-CD2 3.16Å; P108-Y111 VanDerWaalsContact O-CG 3.31Å
109	E	51.4	Low	63.3	Low	153 Å²	153	37.8 Å²	37.8	72%	0.715	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-77.3	-23.3	177.6	-60.1	178.8	-175	0	0	112.7	R80 D107	R80-E109 PolarHBondContact NH2-O 3.03Å; D107-E109 PolarHBondContact O-N 2.92Å; D107-E109 VanDerWaalsContact O-N 3.11Å
110	D	54.9	Low	64.1	Low	79 Å²	79	39.9 Å²	39.9	42%	0.422	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-94.3	5.1	-176.4	-77.6	-36.8	0	0	0	113.6	R80 D107 P108 P112	R80-D110 IonicContact NH1-OD1 2.58Å; R80-D110 VanDerWaalsContact NH2-C 3.3Å; D107-D110 HydrophobicContact CB-CB 4.48Å; D107-D110 PolarHBondContact O-N 2.82Å; P108-D110 VanDerWaalsContact C-N 3.34Å; D110-P112 WeakPolarHBondContact O-CD 3.19Å
111	Y	61.3	Low	64.7	Low	25 Å²	25	40.9 Å²	40.9	10%	0.098	20%	0.196	C	C	.	.			trans	-51.7	111.8	175.6	-72.4	-15.8	0	0	0	112	F55 D56 L60 R80 L106 D107 P108	F55-Y111 HydrophobicContact CB-CD2 3.65Å; F55-Y111 HydrophobicContact CB-CE2 3.21Å; F55-Y111 AromaticContact CD1-CD1 3.41Å; F55-Y111 HydrophobicContact CD1-CD1 3.41Å; F55-Y111 VanDerWaalsContact CD1-CD1 3.41Å; F55-Y111 AromaticContact CD1-CD2 3.15Å; F55-Y111 HydrophobicContact CD1-CD2 3.15Å; F55-Y111 AromaticContact CD1-CE1 3.63Å; F55-Y111 HydrophobicContact CD1-CE1 3.63Å; F55-Y111 AromaticContact CD1-CE2 3.39Å; F55-Y111 HydrophobicContact CD1-CE2 3.39Å; F55-Y111 AromaticContact CD1-CG 3.14Å; F55-Y111 HydrophobicContact CD1-CG 3.14Å; F55-Y111 AromaticContact CD1-CZ 3.57Å; F55-Y111 AromaticContact CD2-CD2 3.73Å; F55-Y111 HydrophobicContact CD2-CD2 3.73Å; F55-Y111 HydrophobicContact CD2-CE2 4.24Å; F55-Y111 HydrophobicContact CD2-CG 4.25Å; F55-Y111 AromaticContact CE1-CD1 3.57Å; F55-Y111 HydrophobicContact CE1-CD1 3.57Å; F55-Y111 AromaticContact CE1-CD2 3.68Å; F55-Y111 HydrophobicContact CE1-CD2 3.68Å; F55-Y111 HydrophobicContact CE1-CE1 4.23Å; F55-Y111 HydrophobicContact CE1-CE2 4.33Å; F55-Y111 AromaticContact CE1-CG 3.22Å; F55-Y111 HydrophobicContact CE1-CG 3.22Å; F55-Y111 HydrophobicContact CE2-CD2 4.19Å; F55-Y111 HydrophobicContact CE2-CG 4.31Å; F55-Y111 HydrophobicContact CG-CD1 4.32Å; F55-Y111 AromaticContact CG-CD2 3.19Å; F55-Y111 HydrophobicContact CG-CD2 3.19Å; F55-Y111 HydrophobicContact CG-CE1 4.43Å; F55-Y111 AromaticContact CG-CE2 3.34Å; F55-Y111 HydrophobicContact CG-CE2 3.34Å; F55-Y111 AromaticContact CG-CG 3.72Å; F55-Y111 HydrophobicContact CG-CG 3.72Å; F55-Y111 AromaticContact CG-CZ 3.93Å; F55-Y111 HydrophobicContact CZ-CD2 4.17Å; F55-Y111 AromaticContact CZ-CG 3.85Å; F55-Y111 HydrophobicContact CZ-CG 3.85Å; D56-Y111 PolarHBondContact N-OH 3.1Å; D56-Y111 PolarHBondContact O-OH 2.98Å; L60-Y111 HydrophobicContact CB-CD1 4.16Å; L60-Y111 HydrophobicContact CB-CE1 3.28Å; L60-Y111 HydrophobicContact CD2-CD1 4.31Å; L60-Y111 HydrophobicContact CD2-CE1 4.18Å; L60-Y111 HydrophobicContact CG-CE1 4.35Å; L60-Y111 PolarHBondContact N-OH 3.45Å; R80-Y111 PolarHBondContact NH2-O 2.75Å; L106-Y111 HydrophobicContact CB-CD1 3.91Å; L106-Y111 HydrophobicContact CB-CE1 3.98Å; L106-Y111 HydrophobicContact CD1-CD1 4.32Å; D107-Y111 WeakPolarHBondContact O-CD1 3.43Å; D107-Y111 WeakPolarHBondContact O-CE1 3.17Å; D107-Y111 PolarHBondContact O-N 2.89Å; P108-Y111 VanDerWaalsContact CA-CZ 3.44Å; P108-Y111 HydrophobicContact CB-CD2 4.4Å; P108-Y111 HydrophobicContact CB-CE2 3.76Å; P108-Y111 HydrophobicContact CG-CE2 4.42Å; P108-Y111 WeakPolarHBondContact O-CD2 3.16Å; P108-Y111 VanDerWaalsContact O-CG 3.31Å
112	P	61.1	Low	65.1	Low	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.223	C	C	.	.			trans	-86.5	150.9	-178.8	38.2	-37.6	0	0	0	108.9	L79 R80 L106 D110 S114 V115 L133	L79-P112 HydrophobicContact CB-CB 4.4Å; L79-P112 HydrophobicContact CD2-CG 3.99Å; R80-P112 HydrophobicContact CG-CB 3.87Å; L106-P112 HydrophobicContact CD1-CG 3.96Å; D110-P112 WeakPolarHBondContact O-CD 3.19Å; P112-S114 VanDerWaalsContact CB-O 3.31Å; P112-S114 WeakPolarHBondContact CB-O 3.44Å; P112-S114 PolarHBondContact O-N 3.26Å; P112-V115 HydrophobicContact CG-CG2 3.55Å; P112-L133 HydrophobicContact CG-CD1 4.36Å; P112-L133 WeakPolarHBondContact O-CD1 3.39Å
113	K	63.8	Low	65.9	Low	191 Å²	191	49.8 Å²	49.8	83%	0.83	26%	0.255	S	S	*	.	S	Bend	trans	-65.1	-29.1	170.7	-66.9	-173	177.4	-172.2	0	112.1	L133	K113-L133 PolarHBondContact O-N 2.93Å
114	S	68.3	Low	66.6	Low	27 Å²	27	51.6 Å²	51.6	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.4	174.3	66.6	0	0	0	0	112.2	P112 E130 L131	P112-S114 VanDerWaalsContact CB-O 3.31Å; P112-S114 WeakPolarHBondContact CB-O 3.44Å; P112-S114 PolarHBondContact O-N 3.26Å; S114-E130 VanDerWaalsContact CB-OE1 3.25Å; S114-E130 WeakPolarHBondContact CB-OE1 3.01Å; S114-E130 PolarHBondContact OG-OE1 2.95Å; S114-L131 CarbonylContact C-O 3.5Å; S114-L131 WeakPolarHBondContact CA-O 2.83Å; S114-L131 VanDerWaalsContact CB-O 3.24Å; S114-L131 WeakPolarHBondContact CB-O 3.45Å
115	V	70.6	Confident	67.5	Low	1 Å²	1	56.2 Å²	56.2	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.1	178.2	178.2	0	0	0	0	107.9	F44 I62 I77 K78 L79 P112 E130 L131 L133	F44-V115 HydrophobicContact CE1-CG2 3.95Å; F44-V115 HydrophobicContact CZ-CG2 4.08Å; I62-V115 HydrophobicContact CD1-CB 4.21Å; I62-V115 HydrophobicContact CD1-CG1 3.76Å; I62-V115 HydrophobicContact CD1-CG2 3.4Å; I62-V115 HydrophobicContact CG1-CG2 4.47Å; I62-V115 HydrophobicContact CG2-CG1 3.91Å; I77-V115 HydrophobicContact CG2-CG1 3.82Å; K78-V115 WeakPolarHBondContact O-CA 3.24Å; L79-V115 HydrophobicContact CD2-CB 4.46Å; L79-V115 HydrophobicContact CD2-CG1 4.04Å; L79-V115 HydrophobicContact CD2-CG2 3.97Å; P112-V115 HydrophobicContact CG-CG2 3.55Å; V115-E130 CarbonylContact O-C 3.52Å; V115-E130 WeakPolarHBondContact O-CA 3.34Å; V115-L131 PolarHBondContact N-O 3.5Å; V115-L131 PolarHBondContact O-N 3.04Å; V115-L133 HydrophobicContact CG2-CD1 4.3Å
116	E	76.3	Confident	68.6	Low	28 Å²	28	56.3 Å²	56.3	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.5	174.8	-179.6	-154.5	137.4	0	0	110.4	I77 K78 R126 S128 E130	I77-E116 CarbonylContact C-O 3.57Å; K78-E116 HydrophobicContact CB-CB 3.79Å; K78-E116 WeakPolarHBondContact CB-O 3.23Å; K78-E116 WeakPolarHBondContact CD-OE2 3.07Å; K78-E116 PolarHBondContact N-O 3.26Å; K78-E116 IonicContact NZ-OE2 3.89Å; K78-E116 PolarHBondContact O-N 2.85Å; E116-R126 IonicContact OE1-CZ 3.06Å; E116-R126 IonicContact OE1-NE 3.69Å; E116-R126 IonicContact OE1-NH2 3.29Å; E116-R126 PolarHBondContact OE1-NH2 3.36Å; E116-S128 WeakPolarHBondContact OE1-CB 3.27Å; E116-E130 HydrophobicContact CB-CB 4.42Å
117	C	74.2	Confident	69.6	Low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.4	170.7	-57.8	0	0	0	0	109	V40 V64 S128 H129	V40-C117 HydrophobicContact CG1-CB 3.88Å; V64-C117 HydrophobicContact CG1-CB 3.55Å; V64-C117 VanDerWaalsContact CG1-SG 3.52Å; V64-C117 HydrophobicContact CG2-CB 4.39Å; V64-C117 WeakPolarHBondContact CG2-SG 3.48Å; C117-S128 CarbonylContact O-C 3.57Å; C117-S128 VanDerWaalsContact O-CA 3.27Å; C117-S128 WeakPolarHBondContact O-CA 3.38Å; C117-H129 PolarHBondContact N-O 2.98Å; C117-H129 PolarHBondContact O-N 3.44Å
118	H	78.4	Confident	70.8	Confident	5 Å²	5	54 Å²	54	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.7	-179.8	71.4	-85.7	0	0	0	114.2	A75 G76 D83 R126 V127	A75-H118 CarbonylContact C-O 3.55Å; A75-H118 WeakPolarHBondContact CA-O 3.31Å; G76-H118 PolarHBondContact N-O 3.39Å; G76-H118 PolarHBondContact O-N 3.06Å; G76-H118 PolarHBondContact O-ND1 3.13Å; D83-H118 IonicContact OD1-CE1 2.81Å; D83-H118 PolarHBondContact OD1-CE1 3.07Å; D83-H118 IonicContact OD1-NE2 2.71Å; D83-H118 IonicContact OD2-NE2 2.9Å; H118-R126 HydrophobicContact CB-CG 4.47Å; H118-R126 PolarHBondContact CD2-NH2 2.96Å; H118-R126 PolarHBondContact CE1-NH2 2.78Å; H118-R126 VanDerWaalsContact CE1-NH2 3.29Å; H118-R126 VanDerWaalsContact CG-CZ 3.45Å; H118-R126 PolarHBondContact ND1-NH2 2.86Å; H118-R126 PolarHBondContact NE2-NH2 3.2Å; H118-V127 CarbonylContact C-O 3.4Å; H118-V127 WeakPolarHBondContact CA-O 3.32Å; H118-V127 WeakPolarHBondContact CB-O 3.39Å
119	F	77.3	Confident	72	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.3	165.9	77.1	-85.3	0	0	0	111.6	Y38 V40 V66 A68 K74 A75 K121 R126 V127	Y38-F119 HydrophobicContact CD1-CZ 4.12Å; Y38-F119 AromaticContact CD2-CE1 3.74Å; Y38-F119 HydrophobicContact CD2-CE1 3.74Å; Y38-F119 AromaticContact CD2-CZ 3.69Å; Y38-F119 HydrophobicContact CD2-CZ 3.69Å; Y38-F119 HydrophobicContact CE2-CE1 4.4Å; Y38-F119 HydrophobicContact CE2-CZ 4.44Å; Y38-F119 HydrophobicContact CG-CE1 4.05Å; Y38-F119 AromaticContact CG-CZ 3.51Å; Y38-F119 HydrophobicContact CG-CZ 3.51Å; V40-F119 HydrophobicContact CG2-CD1 3.44Å; V40-F119 VanDerWaalsContact CG2-CD1 3.44Å; V40-F119 HydrophobicContact CG2-CE1 3.34Å; V66-F119 HydrophobicContact CG1-CB 3.96Å; V66-F119 HydrophobicContact CG1-CD1 3.83Å; V66-F119 HydrophobicContact CG1-CG 3.87Å; A68-F119 HydrophobicContact CB-CE2 4.47Å; K74-F119 CarbonylContact O-C 3.46Å; K74-F119 VanDerWaalsContact O-CA 3.25Å; K74-F119 WeakPolarHBondContact O-CA 3.36Å; A75-F119 HydrophobicContact CB-CB 3.85Å; F119-K121 HydrophobicContact CD2-CG 4.48Å; F119-K121 HydrophobicContact CE2-CG 3.69Å; F119-K121 HydrophobicContact CZ-CG 4.42Å; F119-R126 WeakPolarHBondContact O-CA 3.35Å; F119-V127 HydrophobicContact CD1-CB 3.94Å; F119-V127 HydrophobicContact CD1-CG1 4.3Å; F119-V127 HydrophobicContact CE1-CB 3.44Å; F119-V127 VanDerWaalsContact CE1-CB 3.44Å; F119-V127 HydrophobicContact CE1-CG1 3.59Å; F119-V127 HydrophobicContact CE1-CG2 3.99Å; F119-V127 HydrophobicContact CE2-CB 4.42Å; F119-V127 HydrophobicContact CE2-CG2 4.29Å; F119-V127 HydrophobicContact CZ-CB 3.71Å; F119-V127 HydrophobicContact CZ-CG1 4.13Å; F119-V127 HydrophobicContact CZ-CG2 3.7Å; F119-V127 PolarHBondContact N-O 3.44Å; F119-V127 PolarHBondContact O-N 2.8Å
120	E	78.2	Confident	73	Confident	45 Å²	45	51 Å²	51	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.1	174.7	-168.9	-173.4	147.2	0	0	108.6	Y72 R73 K74	Y72-E120 CarbonylContact C-O 3.52Å; Y72-E120 WeakPolarHBondContact CA-O 3.23Å; Y72-E120 WeakPolarHBondContact CB-O 3.24Å; R73-E120 WeakPolarHBondContact CD-OE1 3.27Å; R73-E120 IonicContact CZ-OE1 3.64Å; R73-E120 PolarHBondContact N-O 3.37Å; R73-E120 IonicContact NH1-OE1 3.5Å; R73-E120 PolarHBondContact NH1-OE1 2.82Å; K74-E120 PolarHBondContact O-N 2.82Å
121	K	78	Confident	73.3	Confident	27 Å²	27	48.9 Å²	48.9	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	161	172	-67.5	-177.2	-165.8	167.4	0	110.3	F119 T123 G124 E125	F119-K121 HydrophobicContact CD2-CG 4.48Å; F119-K121 HydrophobicContact CE2-CG 3.69Å; F119-K121 HydrophobicContact CZ-CG 4.42Å; K121-T123 WeakPolarHBondContact CB-OG1 3.48Å; K121-T123 PolarHBondContact O-N 2.92Å; K121-T123 VanDerWaalsContact O-N 3.08Å; K121-G124 PolarHBondContact O-N 2.99Å; K121-E125 HydrophobicContact CB-CB 4.41Å; K121-E125 HydrophobicContact CD-CB 4.22Å; K121-E125 PolarHBondContact N-O 3.21Å; K121-E125 IonicContact NZ-OE1 2.77Å; K121-E125 PolarHBondContact NZ-OE1 2.91Å; K121-E125 IonicContact NZ-OE2 3.68Å; K121-E125 PolarHBondContact NZ-OE2 2.81Å
122	S	73.4	Confident	73.2	Confident	86 Å²	86	50.3 Å²	50.3	60%	0.601	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.1	170.8	54	0	0	0	0	113.9	G124	S122-G124 VanDerWaalsContact C-N 3.31Å
123	T	77.9	Confident	72.9	Confident	110 Å²	110	51.2 Å²	51.2	68%	0.675	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.3	173.4	56.5	0	0	0	0	114.3	K121	K121-T123 WeakPolarHBondContact CB-OG1 3.48Å; K121-T123 PolarHBondContact O-N 2.92Å; K121-T123 VanDerWaalsContact O-N 3.08Å
124	G	77.3	Confident	72.2	Confident	43 Å²	43	45.6 Å²	45.6	44%	0.443	26%	0.261	S	S	.	.	S	Bend	trans	89.9	-3.6	-174.5	0	0	0	0	0	114.7	K121 S122 R126	K121-G124 PolarHBondContact O-N 2.99Å; S122-G124 VanDerWaalsContact C-N 3.31Å; G124-R126 PolarHBondContact O-N 3.13Å
125	E	80.7	Confident	71	Confident	97 Å²	97	46.9 Å²	46.9	45%	0.453	27%	0.265	S	S	.	.			trans	-70.8	122.6	175.3	-174.2	-166	154.7	0	0	110.3	K121	K121-E125 HydrophobicContact CB-CB 4.41Å; K121-E125 HydrophobicContact CD-CB 4.22Å; K121-E125 PolarHBondContact N-O 3.21Å; K121-E125 IonicContact NZ-OE1 2.77Å; K121-E125 PolarHBondContact NZ-OE1 2.91Å; K121-E125 IonicContact NZ-OE2 3.68Å; K121-E125 PolarHBondContact NZ-OE2 2.81Å
126	R	80.8	Confident	69.4	Low	103 Å²	103	54.1 Å²	54.1	39%	0.389	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	174.5	-176.7	173.7	170.8	140.5	0.1	110.1	K78 D83 E116 H118 F119 G124	K78-R126 VanDerWaalsContact CD-NH2 3.28Å; D83-R126 IonicContact OD1-NH1 2.8Å; D83-R126 IonicContact OD1-NH2 3.05Å; E116-R126 IonicContact OE1-CZ 3.06Å; E116-R126 IonicContact OE1-NE 3.69Å; E116-R126 IonicContact OE1-NH2 3.29Å; E116-R126 PolarHBondContact OE1-NH2 3.36Å; H118-R126 HydrophobicContact CB-CG 4.47Å; H118-R126 PolarHBondContact CD2-NH2 2.96Å; H118-R126 PolarHBondContact CE1-NH2 2.78Å; H118-R126 VanDerWaalsContact CE1-NH2 3.29Å; H118-R126 VanDerWaalsContact CG-CZ 3.45Å; H118-R126 PolarHBondContact ND1-NH2 2.86Å; H118-R126 PolarHBondContact NE2-NH2 3.2Å; F119-R126 WeakPolarHBondContact O-CA 3.35Å; G124-R126 PolarHBondContact O-N 3.13Å
127	V	77.1	Confident	67.5	Low	6 Å²	6	59.4 Å²	59.4	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.1	171.1	178.3	0	0	0	0	107.9	Y38 V40 H118 F119	Y38-V127 HydrophobicContact CD2-CG1 4.01Å; Y38-V127 HydrophobicContact CE1-CG2 4.13Å; Y38-V127 HydrophobicContact CE2-CB 4.38Å; Y38-V127 HydrophobicContact CE2-CG1 3.38Å; Y38-V127 HydrophobicContact CE2-CG2 4.23Å; V40-V127 HydrophobicContact CG2-CG1 4.47Å; H118-V127 CarbonylContact C-O 3.4Å; H118-V127 WeakPolarHBondContact CA-O 3.32Å; H118-V127 WeakPolarHBondContact CB-O 3.39Å; F119-V127 HydrophobicContact CD1-CB 3.94Å; F119-V127 HydrophobicContact CD1-CG1 4.3Å; F119-V127 HydrophobicContact CE1-CB 3.44Å; F119-V127 VanDerWaalsContact CE1-CB 3.44Å; F119-V127 HydrophobicContact CE1-CG1 3.59Å; F119-V127 HydrophobicContact CE1-CG2 3.99Å; F119-V127 HydrophobicContact CE2-CB 4.42Å; F119-V127 HydrophobicContact CE2-CG2 4.29Å; F119-V127 HydrophobicContact CZ-CB 3.71Å; F119-V127 HydrophobicContact CZ-CG1 4.13Å; F119-V127 HydrophobicContact CZ-CG2 3.7Å; F119-V127 PolarHBondContact N-O 3.44Å; F119-V127 PolarHBondContact O-N 2.8Å
128	S	78.1	Confident	65.8	Low	44 Å²	44	61 Å²	61	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.5	175	58.7	0	0	0	0	112.5	K33 E116 C117	K33-S128 PolarHBondContact NZ-O 2.83Å; E116-S128 WeakPolarHBondContact OE1-CB 3.27Å; C117-S128 CarbonylContact O-C 3.57Å; C117-S128 VanDerWaalsContact O-CA 3.27Å; C117-S128 WeakPolarHBondContact O-CA 3.38Å
129	H	73	Confident	63.7	Low	36 Å²	36	69.4 Å²	69.4	17%	0.167	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	115.6	170.5	-174.6	44.2	0	0	0	109	M32 V40 H42 C117	M32-H129 WeakPolarHBondContact CB-NE2 3.22Å; V40-H129 HydrophobicContact CG1-CB 4.23Å; H42-H129 AromaticContact CE1-CD2 3.31Å; H42-H129 PolarHBondContact CE1-CD2 3.32Å; H42-H129 AromaticContact CE1-NE2 3.43Å; H42-H129 PolarHBondContact CE1-NE2 2.82Å; H42-H129 AromaticContact ND1-CD2 3.64Å; C117-H129 PolarHBondContact N-O 2.98Å; C117-H129 PolarHBondContact O-N 3.44Å
130	E	72.5	Confident	62	Low	114 Å²	114	71.4 Å²	71.4	53%	0.533	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.3	177.3	-172.5	178.7	-178.7	0	0	110.4	S114 V115 E116	S114-E130 VanDerWaalsContact CB-OE1 3.25Å; S114-E130 WeakPolarHBondContact CB-OE1 3.01Å; S114-E130 PolarHBondContact OG-OE1 2.95Å; V115-E130 CarbonylContact O-C 3.52Å; V115-E130 WeakPolarHBondContact O-CA 3.34Å; E116-E130 HydrophobicContact CB-CB 4.42Å
131	L	60.5	Low	60.5	Low	36 Å²	36	73.2 Å²	73.2	19%	0.188	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.1	167.1	-171	66.1	0	0	0	109.6	M32 H42 F44 S114 V115	M32-L131 HydrophobicContact CE-CD1 4.46Å; H42-L131 WeakPolarHBondContact CD2-CD2 3.29Å; H42-L131 VanDerWaalsContact CE1-CB 3.48Å; H42-L131 WeakPolarHBondContact CE1-CB 3.16Å; H42-L131 VanDerWaalsContact NE2-CB 3.29Å; H42-L131 WeakPolarHBondContact NE2-CB 2.94Å; H42-L131 WeakPolarHBondContact NE2-CD1 3.29Å; H42-L131 WeakPolarHBondContact NE2-CD2 3.37Å; H42-L131 WeakPolarHBondContact NE2-CG 3Å; F44-L131 HydrophobicContact CD2-CD2 3.76Å; F44-L131 HydrophobicContact CE2-CD2 3.04Å; F44-L131 HydrophobicContact CE2-CG 4.06Å; F44-L131 HydrophobicContact CZ-CD2 3.47Å; F44-L131 VanDerWaalsContact CZ-CD2 3.47Å; F44-L131 HydrophobicContact CZ-CG 4.29Å; S114-L131 CarbonylContact C-O 3.5Å; S114-L131 WeakPolarHBondContact CA-O 2.83Å; S114-L131 VanDerWaalsContact CB-O 3.24Å; S114-L131 WeakPolarHBondContact CB-O 3.45Å; V115-L131 PolarHBondContact N-O 3.5Å; V115-L131 PolarHBondContact O-N 3.04Å
132	A	59.8	Low	59	Low	55 Å²	55	72.6 Å²	72.6	46%	0.455	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.7	165.3	0	0	0	0	0	109.6	T134	A132-T134 HydrophobicContact CB-CG2 4.45Å; A132-T134 PolarHBondContact O-N 2.71Å; A132-T134 VanDerWaalsContact O-N 3.13Å
133	L	55.6	Low	57.5	Low	20 Å²	20	73.3 Å²	73.3	11%	0.105	41%	0.406	C	S	.	.			trans	-75	92.3	163.6	-79.3	139.6	0	0	0	106.8	F44 F55 P112 K113 V115 M135	F44-L133 HydrophobicContact CD2-CD2 3.8Å; F44-L133 HydrophobicContact CD2-CG 4.49Å; F44-L133 HydrophobicContact CE1-CD1 4.05Å; F44-L133 HydrophobicContact CE1-CD2 4.18Å; F44-L133 HydrophobicContact CE1-CG 4.29Å; F44-L133 HydrophobicContact CE2-CD1 4.15Å; F44-L133 HydrophobicContact CE2-CD2 3.25Å; F44-L133 HydrophobicContact CE2-CG 3.49Å; F44-L133 VanDerWaalsContact CE2-CG 3.49Å; F44-L133 HydrophobicContact CG-CD2 4.43Å; F44-L133 HydrophobicContact CZ-CD1 3.54Å; F44-L133 HydrophobicContact CZ-CD2 3.53Å; F44-L133 HydrophobicContact CZ-CG 3.41Å; F44-L133 VanDerWaalsContact CZ-CG 3.41Å; F55-L133 HydrophobicContact CE1-CD1 3.83Å; F55-L133 HydrophobicContact CE1-CD2 3.92Å; F55-L133 HydrophobicContact CE1-CG 4.42Å; F55-L133 HydrophobicContact CZ-CB 4.24Å; F55-L133 HydrophobicContact CZ-CD1 3.78Å; F55-L133 HydrophobicContact CZ-CD2 3.94Å; F55-L133 HydrophobicContact CZ-CG 4.19Å; P112-L133 HydrophobicContact CG-CD1 4.36Å; P112-L133 WeakPolarHBondContact O-CD1 3.39Å; K113-L133 PolarHBondContact O-N 2.93Å; V115-L133 HydrophobicContact CG2-CD1 4.3Å; L133-M135 PolarHBondContact O-N 3.03Å
134	T	47.5	Very low	55.7	Low	73 Å²	73	72.5 Å²	72.5	45%	0.448	39%	0.394	S	S	.	.			trans	-77.2	105.3	177.7	48.8	0	0	0	0	109.9	A132	A132-T134 HydrophobicContact CB-CG2 4.45Å; A132-T134 PolarHBondContact O-N 2.71Å; A132-T134 VanDerWaalsContact O-N 3.13Å
135	M	44.5	Very low	53.7	Low	53 Å²	53	77.2 Å²	77.2	26%	0.261	41%	0.41	S	S	.	.			trans	-81.2	-29.1	170.7	-59.8	-65.2	-85.4	0	0	111.8	F55 L133 D137 L138 E149	F55-M135 HydrophobicContact CD2-CE 4.26Å; F55-M135 HydrophobicContact CD2-SD 4.25Å; F55-M135 HydrophobicContact CE2-CE 4.29Å; F55-M135 HydrophobicContact CE2-SD 3.96Å; L133-M135 PolarHBondContact O-N 3.03Å; M135-D137 PolarHBondContact O-N 2.1Å; M135-L138 WeakPolarHBondContact O-CG 3.13Å; M135-L138 PolarHBondContact O-N 3.13Å; M135-E149 HydrophobicContact CE-CB 3.91Å; M135-E149 HydrophobicContact CE-CG 3.39Å; M135-E149 VanDerWaalsContact CE-OE1 3.26Å; M135-E149 WeakPolarHBondContact CE-OE1 3.46Å
136	D	37	Very low	51.5	Low	154 Å²	154	74.9 Å²	74.9	82%	0.824	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.6	-159.8	-58.1	-29.2	0	0	0	115.7
137	D	35.7	Very low	49.4	Very low	139 Å²	139	74.8 Å²	74.8	74%	0.743	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	20.6	179.9	-81.4	-26.6	0	0	0	113	M135 E139	M135-D137 PolarHBondContact O-N 2.1Å; D137-E139 VanDerWaalsContact C-N 3.27Å; D137-E139 PolarHBondContact O-N 3.46Å; D137-E139 VanDerWaalsContact O-N 3.12Å
138	L	38.5	Very low	47.5	Very low	34 Å²	34	79.3 Å²	79.3	18%	0.178	44%	0.436	C	S	.	.			trans	-85.6	58.6	178.4	-63.5	176.3	0	0	0	111.9	F54 M135 Y143 P169	F54-L138 HydrophobicContact CD1-CD1 4.37Å; M135-L138 WeakPolarHBondContact O-CG 3.13Å; M135-L138 PolarHBondContact O-N 3.13Å; L138-Y143 HydrophobicContact CB-CD2 4.32Å; L138-P169 HydrophobicContact CD2-CB 4.23Å; L138-P169 HydrophobicContact CD2-CG 3.76Å
139	E	34	Very low	45.5	Very low	181 Å²	181	80.9 Å²	80.9	85%	0.846	44%	0.438	S	S	*	.			trans	-89.5	132.3	167.7	-68.1	-173.7	167.2	0	0	110.7	D137	D137-E139 VanDerWaalsContact C-N 3.27Å; D137-E139 PolarHBondContact O-N 3.46Å; D137-E139 VanDerWaalsContact O-N 3.12Å
140	G	42.6	Very low	43.8	Very low	44 Å²	44	81.9 Å²	81.9	45%	0.454	44%	0.442	S	S	.	.	S	Bend	trans	135.3	-173.4	171.5	0	0	0	0	0	115.2	C142 Y143	G140-C142 PolarHBondContact O-N 3.11Å; G140-Y143 WeakPolarHBondContact O-CB 3.24Å; G140-Y143 PolarHBondContact O-N 3.29Å
141	P	45.3	Very low	42.2	Very low	82 Å²	82	77.1 Å²	77.1	53%	0.532	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-2.3	-170.6	28	-36.1	0	0	0	114.8	Y143 C155	P141-Y143 VanDerWaalsContact C-N 3.33Å; P141-C155 WeakPolarHBondContact O-CB 3.01Å
142	C	47.9	Very low	41.3	Very low	14 Å²	14	78.7 Å²	78.7	10%	0.095	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.2	173.1	-63.4	0	0	0	0	113.6	G140 Q153 C161	G140-C142 PolarHBondContact O-N 3.11Å; C142-Q153 PolarHBondContact O-OE1 3.12Å; C142-C161 HydrophobicContact CB-CB 3.7Å; C142-C161 WeakPolarHBondContact CB-SG 3.06Å; C142-C161 WeakPolarHBondContact SG-CB 3.03Å; C142-C161 CovalentContact SG-SG 2.01Å; C142-C161 PolarHBondContact SG-SG 2.95Å
143	Y	42.5	Very low	40.5	Very low	101 Å²	101	78.5 Å²	78.5	40%	0.396	42%	0.42	S	S	.	.			trans	-109.5	101	-178.5	-162.9	-94.5	0	0	0	108.7	L138 G140 P141 E148	L138-Y143 HydrophobicContact CB-CD2 4.32Å; G140-Y143 WeakPolarHBondContact O-CB 3.24Å; G140-Y143 PolarHBondContact O-N 3.29Å; P141-Y143 VanDerWaalsContact C-N 3.33Å; Y143-E148 HydrophobicContact CE2-CB 4.03Å; Y143-E148 HydrophobicContact CE2-CG 4.06Å; Y143-E148 VanDerWaalsContact OH-CG 3.28Å; Y143-E148 WeakPolarHBondContact OH-CG 3.39Å; Y143-E148 PolarHBondContact OH-OE1 3.5Å
144	H	39.4	Very low	39.9	Very low	93 Å²	93	81 Å²	81	43%	0.431	43%	0.431	S	S	.	.			trans	-116.3	112.8	174.6	-81.4	-58.5	0	0	0	110.2
145	D	35.5	Very low	39.8	Very low	143 Å²	143	78.1 Å²	78.1	77%	0.765	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	60.3	153.6	-59.1	-18	0	0	0	118.3	H147	D145-H147 PolarHBondContact O-N 3.29Å; D145-H147 VanDerWaalsContact O-N 3.08Å
146	G	35	Very low	40	Very low	47 Å²	47	80.7 Å²	80.7	49%	0.485	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	14.2	162.2	0	0	0	0	0	115.2
147	H	34.9	Very low	40.4	Very low	101 Å²	101	78.3 Å²	78.3	47%	0.468	42%	0.419	S	S	.	.			trans	-111.7	75.1	169.9	-70.6	-33.9	0	0	0	106.6	D145 E149 F150 R250	D145-H147 PolarHBondContact O-N 3.29Å; D145-H147 VanDerWaalsContact O-N 3.08Å; H147-E149 PolarHBondContact O-N 2.9Å; H147-F150 VanDerWaalsContact C-CE2 3.41Å; H147-F150 HydrophobicContact CB-CD2 4.15Å; H147-F150 HydrophobicContact CB-CE2 3.72Å; H147-F150 WeakPolarHBondContact O-CD2 3.49Å; H147-F150 WeakPolarHBondContact O-CE2 3.36Å; H147-R250 PolarHBondContact NE2-NH2 3.38Å
148	E	37.3	Very low	40.8	Very low	102 Å²	102	74.1 Å²	74.1	48%	0.477	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	11.1	-147.6	-57.6	-178	167.9	0	0	115.6	Y143	Y143-E148 HydrophobicContact CE2-CB 4.03Å; Y143-E148 HydrophobicContact CE2-CG 4.06Å; Y143-E148 VanDerWaalsContact OH-CG 3.28Å; Y143-E148 WeakPolarHBondContact OH-CG 3.39Å; Y143-E148 PolarHBondContact OH-OE1 3.5Å
149	E	36	Very low	41	Very low	76 Å²	76	74.3 Å²	74.3	36%	0.355	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	17.2	-162.5	-47.9	-151.9	146.7	0	0	117.2	F55 M135 H147	F55-E149 CarbonylContact C-O 3.58Å; F55-E149 VanDerWaalsContact C-O 3.22Å; F55-E149 VanDerWaalsContact CA-O 3.27Å; F55-E149 WeakPolarHBondContact CA-O 3.29Å; F55-E149 HydrophobicContact CB-CB 4.18Å; F55-E149 VanDerWaalsContact CB-O 3.27Å; F55-E149 WeakPolarHBondContact CB-O 3.4Å; F55-E149 HydrophobicContact CD2-CB 4.1Å; F55-E149 WeakPolarHBondContact CD2-OE2 3.28Å; F55-E149 PolarHBondContact N-O 3.12Å; M135-E149 HydrophobicContact CE-CB 3.91Å; M135-E149 HydrophobicContact CE-CG 3.39Å; M135-E149 VanDerWaalsContact CE-OE1 3.26Å; M135-E149 WeakPolarHBondContact CE-OE1 3.46Å; H147-E149 PolarHBondContact O-N 2.9Å
150	F	38.3	Very low	41.7	Very low	57 Å²	57	68.7 Å²	68.7	25%	0.25	37%	0.372	C	S	.	.			trans	-116.1	126	-153.6	-58.5	-66.8	0	0	0	121.5	F54 F55 T57 H147	F54-F150 VanDerWaalsContact CD2-O 3.29Å; F54-F150 WeakPolarHBondContact CD2-O 3.02Å; F54-F150 WeakPolarHBondContact CE2-O 3.26Å; F54-F150 WeakPolarHBondContact CZ-O 3.46Å; F55-F150 CarbonylContact O-C 3.36Å; F55-F150 VanDerWaalsContact O-CA 3.27Å; F55-F150 WeakPolarHBondContact O-CA 3.49Å; T57-F150 HydrophobicContact CG2-CD1 3.68Å; T57-F150 HydrophobicContact CG2-CE1 3.44Å; T57-F150 VanDerWaalsContact CG2-CE1 3.44Å; T57-F150 HydrophobicContact CG2-CZ 4.33Å; H147-F150 VanDerWaalsContact C-CE2 3.41Å; H147-F150 HydrophobicContact CB-CD2 4.15Å; H147-F150 HydrophobicContact CB-CE2 3.72Å; H147-F150 WeakPolarHBondContact O-CD2 3.49Å; H147-F150 WeakPolarHBondContact O-CE2 3.36Å
151	A	38.7	Very low	42	Very low	14 Å²	14	66.7 Å²	66.7	12%	0.116	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-11	112.5	148.7	0	0	0	0	0	117.9	V52 F54 F55 Q153	V52-A151 HydrophobicContact CB-CB 3.44Å; V52-A151 VanDerWaalsContact CB-CB 3.44Å; V52-A151 HydrophobicContact CG1-CB 3.16Å; V52-A151 HydrophobicContact CG2-CB 4.32Å; F54-A151 HydrophobicContact CD2-CB 3.48Å; F54-A151 VanDerWaalsContact CD2-CB 3.48Å; F54-A151 HydrophobicContact CE2-CB 3.34Å; F55-A151 PolarHBondContact O-N 3.45Å; A151-Q153 PolarHBondContact O-N 2.93Å
152	L	41.5	Very low	42.1	Very low	69 Å²	69	64.8 Å²	64.8	36%	0.361	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.7	161.6	-60.8	162.9	0	0	0	115	Q154 Y160	L152-Q154 PolarHBondContact O-N 3.26Å; L152-Y160 VanDerWaalsContact O-CD1 3.29Å; L152-Y160 WeakPolarHBondContact O-CD1 3.32Å
153	Q	43.7	Very low	42	Very low	51 Å²	51	68 Å²	68	24%	0.238	35%	0.348	C	S	.	.			trans	-59	129.4	178.7	-165	171.5	7.9	0	0	110.6	C142 A151 C155 C161	C142-Q153 PolarHBondContact O-OE1 3.12Å; A151-Q153 PolarHBondContact O-N 2.93Å; Q153-C155 PolarHBondContact O-N 3.37Å; Q153-C155 VanDerWaalsContact O-N 3.13Å; Q153-C161 PolarHBondContact O-N 3.24Å; Q153-C161 VanDerWaalsContact O-N 3.09Å
154	Q	41.6	Very low	42.3	Very low	72 Å²	72	67.9 Å²	67.9	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	107	173.3	-176	176	19.4	0	0	108.4	L152 Q156 P157 Y160	L152-Q154 PolarHBondContact O-N 3.26Å; Q154-Q156 WeakPolarHBondContact CG-O 2.87Å; Q154-Q156 PolarHBondContact NE2-O 2.88Å; Q154-P157 VanDerWaalsContact NE2-CA 3.27Å; Q154-P157 PolarHBondContact NE2-O 2.97Å; Q154-Y160 HydrophobicContact CB-CD1 4.17Å; Q154-Y160 HydrophobicContact CB-CE1 3.95Å; Q154-Y160 HydrophobicContact CG-CE1 4.34Å
155	C	46.6	Very low	42.7	Very low	14 Å²	14	74 Å²	74	10%	0.095	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-26.2	176.7	56.4	0	0	0	0	112.5	P141 Q153 Q159 C171	P141-C155 WeakPolarHBondContact O-CB 3.01Å; Q153-C155 PolarHBondContact O-N 3.37Å; Q153-C155 VanDerWaalsContact O-N 3.13Å; C155-Q159 PolarHBondContact N-O 3.04Å; C155-C171 HydrophobicContact CB-CB 4.37Å; C155-C171 WeakPolarHBondContact CB-SG 3.27Å; C155-C171 VanDerWaalsContact SG-CA 3.54Å; C155-C171 WeakPolarHBondContact SG-CB 2.76Å; C155-C171 CovalentContact SG-SG 2.02Å; C155-C171 PolarHBondContact SG-SG 3.03Å
156	Q	48.1	Very low	43.3	Very low	106 Å²	106	70.6 Å²	70.6	50%	0.495	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163	169.7	-70.3	-153.4	-3.2	0	0	111.8	Q154 S158 Q159	Q154-Q156 WeakPolarHBondContact CG-O 2.87Å; Q154-Q156 PolarHBondContact NE2-O 2.88Å; Q156-S158 PolarHBondContact O-N 2.01Å; Q156-Q159 HydrophobicContact CB-CB 4.08Å; Q156-Q159 HydrophobicContact CB-CG 4.19Å; Q156-Q159 PolarHBondContact N-O 3.46Å; Q156-Q159 PolarHBondContact O-N 3.13Å; Q156-Q159 VanDerWaalsContact O-O 3.08Å
157	P	46.5	Very low	43.8	Very low	105 Å²	105	73.3 Å²	73.3	68%	0.682	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-19	-177.2	-33.3	38.2	0	0	0	116.9	Q154	Q154-P157 VanDerWaalsContact NE2-CA 3.27Å; Q154-P157 PolarHBondContact NE2-O 2.97Å
158	S	44	Very low	44.5	Very low	50 Å²	50	75.4 Å²	75.4	35%	0.35	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	13.5	179.6	53.1	0	0	0	0	114	Q156 K174	Q156-S158 PolarHBondContact O-N 2.01Å; S158-K174 WeakPolarHBondContact O-CG 3.46Å; S158-K174 PolarHBondContact O-N 3.34Å
159	Q	42.9	Very low	45.2	Very low	38 Å²	38	71.8 Å²	71.8	18%	0.178	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.5	-175.9	-55.8	179.4	-15.2	0	0	111.4	C155 Q156 C171 Q172 L173	C155-Q159 PolarHBondContact N-O 3.04Å; Q156-Q159 HydrophobicContact CB-CB 4.08Å; Q156-Q159 HydrophobicContact CB-CG 4.19Å; Q156-Q159 PolarHBondContact N-O 3.46Å; Q156-Q159 PolarHBondContact O-N 3.13Å; Q156-Q159 VanDerWaalsContact O-O 3.08Å; Q159-C171 HydrophobicContact CB-CB 4.15Å; Q159-Q172 WeakPolarHBondContact CA-O 3.27Å; Q159-Q172 WeakPolarHBondContact CB-O 3.27Å; Q159-L173 HydrophobicContact CG-CD2 3.89Å; Q159-L173 HydrophobicContact CG-CG 4.04Å
160	Y	47.6	Very low	46	Very low	63 Å²	63	69.9 Å²	69.9	25%	0.247	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.2	173.4	-66	-77.3	0	0	0	110.3	L152 Q154 V162 Q172 K174	L152-Y160 VanDerWaalsContact O-CD1 3.29Å; L152-Y160 WeakPolarHBondContact O-CD1 3.32Å; Q154-Y160 HydrophobicContact CB-CD1 4.17Å; Q154-Y160 HydrophobicContact CB-CE1 3.95Å; Q154-Y160 HydrophobicContact CG-CE1 4.34Å; Y160-V162 PolarHBondContact O-N 2.77Å; Y160-Q172 PolarHBondContact N-O 3.4Å; Y160-Q172 VanDerWaalsContact N-O 3.13Å; Y160-Q172 PolarHBondContact O-N 2.86Å; Y160-K174 HydrophobicContact CD2-CG 4.27Å; Y160-K174 HydrophobicContact CE2-CD 4.25Å; Y160-K174 HydrophobicContact CE2-CG 4.04Å
161	C	48.3	Very low	46.8	Very low	2 Å²	2	68.7 Å²	68.7	1%	0.014	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123	175.4	-156.4	0	0	0	0	111.3	F54 C142 Q153	F54-C161 HydrophobicContact CZ-CB 4.39Å; C142-C161 HydrophobicContact CB-CB 3.7Å; C142-C161 WeakPolarHBondContact CB-SG 3.06Å; C142-C161 WeakPolarHBondContact SG-CB 3.03Å; C142-C161 CovalentContact SG-SG 2.01Å; C142-C161 PolarHBondContact SG-SG 2.95Å; Q153-C161 PolarHBondContact O-N 3.24Å; Q153-C161 VanDerWaalsContact O-N 3.09Å
162	V	48.5	Very low	47.2	Very low	43 Å²	43	72.5 Å²	72.5	26%	0.261	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162	178.7	-62.1	0	0	0	0	110.7	Y160 V170 Q172	Y160-V162 PolarHBondContact O-N 2.77Å; V162-V170 HydrophobicContact CG2-CG2 4.24Å; V162-V170 PolarHBondContact N-O 2.9Å; V162-V170 PolarHBondContact O-N 2.9Å; V162-Q172 HydrophobicContact CG2-CB 3.74Å; V162-Q172 VanDerWaalsContact CG2-CD 3.42Å; V162-Q172 HydrophobicContact CG2-CG 3.53Å
163	R	44.4	Very low	47.1	Very low	81 Å²	81	74.5 Å²	74.5	31%	0.306	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.2	173.9	-103.4	-177.5	-179.3	-179.9	2.3	112.2	P53 N167	P53-R163 HydrophobicContact CB-CB 4.44Å; P53-R163 VanDerWaalsContact CB-CD 3.5Å; P53-R163 HydrophobicContact CB-CG 3.62Å; P53-R163 HydrophobicContact CG-CG 4.47Å; R163-N167 PolarHBondContact NE-O 2.77Å
164	Q	48.7	Very low	47	Very low	98 Å²	98	74.8 Å²	74.8	46%	0.458	38%	0.378	S	S	.	.			trans	-79.3	167	160	-90.5	-177	20.4	0	0	111.3	S166 N167 K168 V170	Q164-S166 PolarHBondContact O-N 2.71Å; Q164-N167 PolarHBondContact O-N 2.76Å; Q164-K168 PolarHBondContact N-O 2.85Å; Q164-V170 HydrophobicContact CB-CG2 4.36Å; Q164-V170 HydrophobicContact CG-CG1 4.47Å; Q164-V170 HydrophobicContact CG-CG2 3.64Å
165	K	48.7	Very low	46.6	Very low	222 Å²	222	75.1 Å²	75.1	97%	0.965	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-23.6	176.6	-73.4	-175	178.3	179.2	0	114.2	N167	K165-N167 PolarHBondContact O-N 3.27Å
166	S	48.2	Very low	45.7	Very low	72 Å²	72	81.4 Å²	81.4	50%	0.503	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.9	177.4	54.4	0	0	0	0	114.1	Q164 K168	Q164-S166 PolarHBondContact O-N 2.71Å; S166-K168 PolarHBondContact O-N 2.95Å; S166-K168 VanDerWaalsContact O-N 3.11Å
167	N	45.1	Very low	44.7	Very low	103 Å²	103	84.7 Å²	84.7	55%	0.551	43%	0.433	S	S	*	.	S	Bend	trans	62.6	1.7	-171	-72.9	-19	0	0	0	116	R163 Q164 K165	R163-N167 PolarHBondContact NE-O 2.77Å; Q164-N167 PolarHBondContact O-N 2.76Å; K165-N167 PolarHBondContact O-N 3.27Å
168	K	49.4	Very low	43.9	Very low	145 Å²	145	87.9 Å²	87.9	63%	0.63	45%	0.445	S	S	*	.			trans	-75.3	132.7	175.7	-63.4	-166.5	175.2	-164.5	0	111	Q164 S166	Q164-K168 PolarHBondContact N-O 2.85Å; S166-K168 PolarHBondContact O-N 2.95Å; S166-K168 VanDerWaalsContact O-N 3.11Å
169	P	52	Low	43.1	Very low	26 Å²	26	96 Å²	96	17%	0.169	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.6	171.5	30	-35.4	0	0	0	109.5	L138	L138-P169 HydrophobicContact CD2-CB 4.23Å; L138-P169 HydrophobicContact CD2-CG 3.76Å
170	V	53.7	Low	42.3	Very low	37 Å²	37	100.3 Å²	100.3	22%	0.224	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.3	174.7	-66.1	0	0	0	0	110.6	V162 Q164 Q172	V162-V170 HydrophobicContact CG2-CG2 4.24Å; V162-V170 PolarHBondContact N-O 2.9Å; V162-V170 PolarHBondContact O-N 2.9Å; Q164-V170 HydrophobicContact CB-CG2 4.36Å; Q164-V170 HydrophobicContact CG-CG1 4.47Å; Q164-V170 HydrophobicContact CG-CG2 3.64Å; V170-Q172 HydrophobicContact CG2-CG 4.16Å; V170-Q172 PolarHBondContact O-N 2.95Å
171	C	55	Low	41.5	Very low	32 Å²	32	105.8 Å²	105.8	22%	0.216	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114	167.4	-71.3	0	0	0	0	110.1	C155 Q159	C155-C171 HydrophobicContact CB-CB 4.37Å; C155-C171 WeakPolarHBondContact CB-SG 3.27Å; C155-C171 VanDerWaalsContact SG-CA 3.54Å; C155-C171 WeakPolarHBondContact SG-CB 2.76Å; C155-C171 CovalentContact SG-SG 2.02Å; C155-C171 PolarHBondContact SG-SG 3.03Å; Q159-C171 HydrophobicContact CB-CB 4.15Å
172	Q	46.5	Very low	40.5	Very low	93 Å²	93	108.1 Å²	108.1	44%	0.435	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.1	171.9	-79.1	-171.9	0.6	0	0	111.1	Q159 Y160 V162 V170	Q159-Q172 WeakPolarHBondContact CA-O 3.27Å; Q159-Q172 WeakPolarHBondContact CB-O 3.27Å; Y160-Q172 PolarHBondContact N-O 3.4Å; Y160-Q172 VanDerWaalsContact N-O 3.13Å; Y160-Q172 PolarHBondContact O-N 2.86Å; V162-Q172 HydrophobicContact CG2-CB 3.74Å; V162-Q172 VanDerWaalsContact CG2-CD 3.42Å; V162-Q172 HydrophobicContact CG2-CG 3.53Å; V170-Q172 HydrophobicContact CG2-CG 4.16Å; V170-Q172 PolarHBondContact O-N 2.95Å
173	L	40.7	Very low	39.4	Very low	111 Å²	111	114.1 Å²	114.1	58%	0.581	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-59.8	136.9	169	-78.5	157.8	0	0	0	110.4	Q159 P175	Q159-L173 HydrophobicContact CG-CD2 3.89Å; Q159-L173 HydrophobicContact CG-CG 4.04Å; L173-P175 VanDerWaalsContact O-CD 3.24Å; L173-P175 WeakPolarHBondContact O-CD 3.29Å; L173-P175 VanDerWaalsContact O-N 3.16Å
174	K	41.1	Very low	38.4	Very low	57 Å²	57	112.7 Å²	112.7	25%	0.248	58%	0.577	C	S	.	*			trans	-47.5	118.4	165.7	-74.8	172.4	174.4	177.2	0	108.8	S158 Y160 I176 P340	S158-K174 WeakPolarHBondContact O-CG 3.46Å; S158-K174 PolarHBondContact O-N 3.34Å; Y160-K174 HydrophobicContact CD2-CG 4.27Å; Y160-K174 HydrophobicContact CE2-CD 4.25Å; Y160-K174 HydrophobicContact CE2-CG 4.04Å; K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 HydrophobicContact CB-CG1 4.28Å; K174-I176 PolarHBondContact O-N 2.73Å; K174-P340 PolarHBondContact NZ-O 2.91Å
175	P	32	Very low	37.2	Very low	80 Å²	80	112 Å²	112	52%	0.519	58%	0.583	S	S	.	*			trans	-69.3	88.1	175.8	-14	26.1	0	0	0	110.5	L173 E177 I186	L173-P175 VanDerWaalsContact O-CD 3.24Å; L173-P175 WeakPolarHBondContact O-CD 3.29Å; L173-P175 VanDerWaalsContact O-N 3.16Å; P175-E177 PolarHBondContact O-N 2.87Å; P175-I186 HydrophobicContact CB-CD1 4.29Å; P175-I186 HydrophobicContact CB-CG1 4.12Å; P175-I186 HydrophobicContact CG-CD1 4.22Å; P175-I186 HydrophobicContact CG-CG1 4.16Å; P175-I186 WeakPolarHBondContact O-CD1 3.33Å
176	I	29.3	Very low	35.9	Very low	146 Å²	146	104.7 Å²	104.7	75%	0.749	55%	0.554	S	S	*	*			trans	-93.3	75.5	171.6	-48.9	171.9	0	0	0	107.4	K174	K174-I176 VanDerWaalsContact C-N 3.33Å; K174-I176 HydrophobicContact CB-CG1 4.28Å; K174-I176 PolarHBondContact O-N 2.73Å
177	E	27.2	Very low	34.9	Very low	175 Å²	175	106.1 Å²	106.1	82%	0.818	55%	0.551	S	S	*	*			trans	-130.5	123.5	170.1	-76	-163.8	169.8	0	0	113.4	P175 R179	P175-E177 PolarHBondContact O-N 2.87Å; E177-R179 PolarHBondContact O-N 3.35Å
178	N	29.1	Very low	33.8	Very low	172 Å²	172	108.4 Å²	108.4	92%	0.92	56%	0.556	S	S	*	*			trans	-60.5	39.7	-173.8	-90.1	-16	0	0	0	115.9
179	R	26	Very low	32.7	Very low	221 Å²	221	107.3 Å²	107.3	83%	0.834	56%	0.564	S	S	*	*			trans	-120.5	126.9	-179.3	-84.2	-175.5	169.8	178.5	-2.4	113	E177	E177-R179 PolarHBondContact O-N 3.35Å
180	T	26.5	Very low	31.4	Very low	128 Å²	128	108.3 Å²	108.3	79%	0.785	57%	0.572	S	S	*	*	S	Bend	trans	85.9	126.5	167.6	57.4	0	0	0	0	116.3	C182	T180-C182 PolarHBondContact O-N 3.06Å
181	D	30.8	Very low	30	Very low	177 Å²	177	109.3 Å²	109.3	95%	0.947	58%	0.576	S	S	*	*	S	Bend	trans	-57.1	44.6	-174.5	-60.9	-55	0	0	0	116
182	C	27.5	Very low	28.5	Very low	52 Å²	52	111 Å²	111	35%	0.351	59%	0.587	S	S	.	*			trans	-96.8	113.4	149.3	-65	0	0	0	0	104.7	T180 T184 C192	T180-C182 PolarHBondContact O-N 3.06Å; C182-T184 PolarHBondContact O-N 3Å; C182-C192 WeakPolarHBondContact CB-SG 3.43Å; C182-C192 WeakPolarHBondContact SG-CB 3.44Å; C182-C192 CovalentContact SG-SG 2.1Å; C182-C192 PolarHBondContact SG-SG 3.29Å
183	D	25.8	Very low	27.5	Very low	168 Å²	168	110.2 Å²	110.2	90%	0.898	58%	0.583	S	S	*	*	S	Bend	trans	-64.7	28.9	170.4	-83.5	-31.9	0	0	0	112.8
184	T	23.8	Very low	26.7	Very low	51 Å²	51	107.5 Å²	107.5	31%	0.313	57%	0.569	S	S	.	*	S	Bend	trans	-145.8	90	-177.6	50.3	0	0	0	0	106.6	C182 I186	C182-T184 PolarHBondContact O-N 3Å; T184-I186 PolarHBondContact O-N 3.08Å
185	S	22	Very low	25.8	Very low	85 Å²	85	108.7 Å²	108.7	59%	0.594	58%	0.576	S	S	*	*			trans	-67.3	117.9	170.8	48.5	0	0	0	0	109.9
186	I	23	Very low	25.4	Very low	68 Å²	68	113.7 Å²	113.7	35%	0.349	59%	0.59	S	S	.	*			trans	89.7	108.4	167	-46.4	149.9	0	0	0	114.3	P175 T184	P175-I186 HydrophobicContact CB-CD1 4.29Å; P175-I186 HydrophobicContact CB-CG1 4.12Å; P175-I186 HydrophobicContact CG-CD1 4.22Å; P175-I186 HydrophobicContact CG-CG1 4.16Å; P175-I186 WeakPolarHBondContact O-CD1 3.33Å; T184-I186 PolarHBondContact O-N 3.08Å
187	F	26.2	Very low	25.2	Very low	102 Å²	102	112.2 Å²	112.2	45%	0.447	59%	0.59	S	S	.	*	S	Bend		169.5	98.9	118.7	-87	-66.6	0	0	0	106.5	L191	F187-L191 VanDerWaalsContact O-CB 3.32Å; F187-L191 WeakPolarHBondContact O-CB 3.41Å
188	F	23.4	Very low	25	Very low	150 Å²	150	109.6 Å²	109.6	66%	0.658	59%	0.586	S	S	*	*			trans	51.2	124.2	176.8	-63.2	-82.2	0	0	0	116.8	S190 L191	F188-S190 PolarHBondContact O-N 2.95Å; F188-L191 PolarHBondContact O-N 3.02Å
189	P	24.3	Very low	24.8	Very low	122 Å²	122	104.7 Å²	104.7	79%	0.792	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	-25.1	-177.7	-26.6	31.8	0	0	0	115.8
190	S	25.5	Very low	24.8	Very low	48 Å²	48	99.1 Å²	99.1	34%	0.336	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-16.2	178.8	35.9	0	0	0	0	114.9	F188	F188-S190 PolarHBondContact O-N 2.95Å
191	L	24.6	Very low	24.7	Very low	58 Å²	58	95.3 Å²	95.3	30%	0.304	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.8	177.9	-125.3	135.4	0	0	0	112.9	F187 F188 E193 L194 M195	F187-L191 VanDerWaalsContact O-CB 3.32Å; F187-L191 WeakPolarHBondContact O-CB 3.41Å; F188-L191 PolarHBondContact O-N 3.02Å; L191-E193 PolarHBondContact O-N 3.27Å; L191-L194 HydrophobicContact CG-CD1 4.43Å; L191-L194 PolarHBondContact O-N 3.34Å; L191-M195 HydrophobicContact CD2-CG 4.05Å; L191-M195 HydrophobicContact CD2-SD 3.59Å; L191-M195 VanDerWaalsContact CD2-SD 3.59Å
192	C	24.1	Very low	24.5	Very low	66 Å²	66	89.4 Å²	89.4	45%	0.446	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.7	173.8	-78	0	0	0	0	112.1	C182	C182-C192 WeakPolarHBondContact CB-SG 3.43Å; C182-C192 WeakPolarHBondContact SG-CB 3.44Å; C182-C192 CovalentContact SG-SG 2.1Å; C182-C192 PolarHBondContact SG-SG 3.29Å
193	E	24.7	Very low	24.4	Very low	77 Å²	77	87.2 Å²	87.2	36%	0.36	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-16	175.8	-71.8	-167.2	160.7	0	0	114.7	N7 I10 R21 L191	N7-E193 VanDerWaalsContact CB-CD 3.47Å; N7-E193 VanDerWaalsContact CB-OE1 3.23Å; N7-E193 WeakPolarHBondContact CB-OE1 3.17Å; N7-E193 WeakPolarHBondContact CB-OE2 3.45Å; N7-E193 PolarHBondContact ND2-OE2 3.08Å; I10-E193 VanDerWaalsContact CD1-OE2 3.23Å; I10-E193 WeakPolarHBondContact CD1-OE2 3.35Å; R21-E193 PolarHBondContact NH1-O 2.77Å; R21-E193 PolarHBondContact NH2-O 3.19Å; R21-E193 VanDerWaalsContact NH2-O 3.13Å; L191-E193 PolarHBondContact O-N 3.27Å
194	L	23.3	Very low	24.5	Very low	54 Å²	54	80.3 Å²	80.3	28%	0.283	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-27.6	-172.8	-90.2	123.3	0	0	0	114.3	R21 L191 K196	R21-L194 HydrophobicContact CB-CD2 3.47Å; R21-L194 VanDerWaalsContact CB-CD2 3.47Å; R21-L194 HydrophobicContact CG-CD2 3.97Å; L191-L194 HydrophobicContact CG-CD1 4.43Å; L191-L194 PolarHBondContact O-N 3.34Å; L194-K196 PolarHBondContact O-N 2.95Å
195	M	23.9	Very low	24.7	Very low	82 Å²	82	79.2 Å²	79.2	40%	0.404	45%	0.447	S	S	.	.			trans	-103.2	35.9	-162	-71	178.1	39.8	0	0	115.4	L191	L191-M195 HydrophobicContact CD2-CG 4.05Å; L191-M195 HydrophobicContact CD2-SD 3.59Å; L191-M195 VanDerWaalsContact CD2-SD 3.59Å
196	K	22.4	Very low	25	Very low	186 Å²	186	81.7 Å²	81.7	81%	0.809	44%	0.444	S	S	*	.			trans	-63.4	123.7	170.7	-99.6	-174	177.7	-179.8	0	109.8	L194 V198	L194-K196 PolarHBondContact O-N 2.95Å; K196-V198 PolarHBondContact O-N 3.01Å
197	P	25	Very low	25.3	Very low	114 Å²	114	79.8 Å²	79.8	74%	0.74	43%	0.433	S	S	*	.			trans	-70.6	123.9	-165.2	27.2	-33.5	0	0	0	110.4
198	V	23.4	Very low	25.4	Very low	120 Å²	120	82.3 Å²	82.3	73%	0.727	45%	0.447	S	S	*	.			trans	-131.2	113.3	166.4	-162.7	0	0	0	0	108.1	K196	K196-V198 PolarHBondContact O-N 3.01Å
199	S	24.9	Very low	25.6	Very low	70 Å²	70	78.5 Å²	78.5	49%	0.49	44%	0.437	S	S	.	.			trans	78.9	121	171.8	71.7	0	0	0	0	118.2
200	N	25.1	Very low	25.7	Very low	104 Å²	104	79.9 Å²	79.9	56%	0.556	44%	0.438	S	S	*	.			trans	-106.9	118.5	-179.7	-66.6	-35.8	0	0	0	109.1
201	V	25.4	Very low	25.8	Very low	48 Å²	48	84 Å²	84	29%	0.291	45%	0.452	S	S	.	.			trans	-83.7	134.3	160.9	-179.7	0	0	0	0	108.1	L203 L303	V201-L203 HydrophobicContact CG1-CD1 4.43Å; V201-L203 HydrophobicContact CG1-CG 4.46Å; V201-L303 HydrophobicContact CB-CD2 4.4Å; V201-L303 HydrophobicContact CG1-CD2 3.8Å; V201-L303 HydrophobicContact CG2-CD2 4.47Å
202	S	26.2	Very low	26	Very low	52 Å²	52	87.4 Å²	87.4	36%	0.364	48%	0.475	S	S	.	.			trans	-115.3	111.3	-177.2	176.4	0	0	0	0	109.2	L382	S202-L382 WeakPolarHBondContact OG-CD1 3.13Å
203	L	26.2	Very low	26.3	Very low	6 Å²	6	86.5 Å²	86.5	3%	0.031	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.9	175.2	-74.3	151.2	0	0	0	108.4	V201 V227 F229 I291 L303 L382 V383 F385	V201-L203 HydrophobicContact CG1-CD1 4.43Å; V201-L203 HydrophobicContact CG1-CG 4.46Å; L203-V227 HydrophobicContact CD2-CB 4.32Å; L203-V227 HydrophobicContact CD2-CG1 3.42Å; L203-V227 VanDerWaalsContact CD2-CG1 3.42Å; L203-V227 HydrophobicContact CD2-CG2 4.18Å; L203-F229 HydrophobicContact CD2-CB 4.04Å; L203-I291 HydrophobicContact CD2-CD1 4.34Å; L203-L303 HydrophobicContact CD1-CD2 4.19Å; L203-L382 VanDerWaalsContact O-CD1 3.28Å; L203-L382 WeakPolarHBondContact O-CD1 3.14Å; L203-V383 CarbonylContact C-O 3.57Å; L203-V383 WeakPolarHBondContact CA-O 3.22Å; L203-V383 VanDerWaalsContact CB-O 3.3Å; L203-V383 WeakPolarHBondContact CB-O 3.32Å; L203-V383 PolarHBondContact N-O 2.76Å; L203-V383 CarbonylContact O-C 3.51Å; L203-V383 PolarHBondContact O-N 3.27Å; L203-F385 HydrophobicContact CB-CD2 3.72Å; L203-F385 HydrophobicContact CB-CE2 3.7Å; L203-F385 HydrophobicContact CD1-CB 3.97Å; L203-F385 HydrophobicContact CD1-CD1 4.46Å; L203-F385 HydrophobicContact CD1-CD2 3Å; L203-F385 HydrophobicContact CD1-CE2 3.39Å; L203-F385 HydrophobicContact CD1-CG 3.58Å; L203-F385 HydrophobicContact CD1-CZ 4.27Å; L203-F385 HydrophobicContact CG-CD2 3.87Å; L203-F385 HydrophobicContact CG-CE2 4.09Å
204	S	27.8	Very low	26.5	Very low	23 Å²	23	87 Å²	87	16%	0.161	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120	-175.2	53.6	0	0	0	0	110.6	Y206	S204-Y206 WeakPolarHBondContact OG-CE2 3.47Å
205	A	27.3	Very low	26.7	Very low	29 Å²	29	89.5 Å²	89.5	24%	0.24	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.9	168.2	0	0	0	0	0	109.3
206	Y	27.7	Very low	26.7	Very low	137 Å²	137	87.6 Å²	87.6	54%	0.537	49%	0.49	S	S	.	.			trans	-121.8	127.1	178.9	-66.5	-86	0	0	0	110.2	S204 R378	S204-Y206 WeakPolarHBondContact OG-CE2 3.47Å; Y206-R378 VanDerWaalsContact CA-NH2 3.27Å; Y206-R378 VanDerWaalsContact CB-NH2 3.34Å
207	Q	29.9	Very low	26.9	Very low	27 Å²	27	80.6 Å²	80.6	13%	0.126	46%	0.463	C	S	.	.			trans	-55	140	159.6	-152.1	-178.5	-5.3	0	0	111.8	E211 W221 R378	Q207-E211 PolarHBondContact NE2-O 3.29Å; Q207-W221 HydrophobicContact CB-CH2 3.54Å; Q207-W221 HydrophobicContact CB-CZ2 3.6Å; Q207-W221 HydrophobicContact CG-CH2 3.53Å; Q207-W221 HydrophobicContact CG-CZ2 3.65Å; Q207-R378 VanDerWaalsContact O-CZ 3.3Å; Q207-R378 PolarHBondContact O-NH1 3.23Å; Q207-R378 PolarHBondContact O-NH2 2.91Å
208	E	28.7	Very low	27	Very low	155 Å²	155	81.5 Å²	81.5	72%	0.724	45%	0.452	S	S	*	.			trans	-62.6	138.8	163.8	-74.4	-170	165	0	0	110.3	D210	E208-D210 PolarHBondContact O-N 3.43Å; E208-D210 VanDerWaalsContact O-N 3.13Å
209	P	26.6	Very low	27.3	Very low	71 Å²	71	77.6 Å²	77.6	46%	0.461	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.2	-166.9	25.2	-34.2	0	0	0	115.9	S357	P209-S357 WeakPolarHBondContact CB-O 3.46Å
210	D	26	Very low	27.7	Very low	151 Å²	151	81 Å²	81	81%	0.807	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.6	-168.2	-64.8	-26.8	0	0	0	114.4	E208	E208-D210 PolarHBondContact O-N 3.43Å; E208-D210 VanDerWaalsContact O-N 3.13Å
211	E	29	Very low	28.3	Very low	133 Å²	133	78 Å²	78	62%	0.621	42%	0.415	S	S	*	.			trans	-104.3	98.4	179.1	-68.1	-168.2	159.5	0	0	112.6	Q207	Q207-E211 PolarHBondContact NE2-O 3.29Å
212	V	28.5	Very low	29	Very low	130 Å²	130	77.7 Å²	77.7	79%	0.788	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-84	118.2	169	-177.4	0	0	0	0	109
213	L	29.2	Very low	29.8	Very low	47 Å²	47	75.8 Å²	75.8	25%	0.246	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-88.2	138.6	-179.5	-65.7	164.5	0	0	0	111.6	T217 V219 M314	L213-T217 HydrophobicContact CD2-CG2 4.24Å; L213-V219 HydrophobicContact CD1-CG2 3.58Å; L213-V219 HydrophobicContact CD2-CG2 3.89Å; L213-V219 HydrophobicContact CG-CG2 4.36Å; L213-M314 HydrophobicContact CB-CE 4.12Å; L213-M314 HydrophobicContact CB-SD 4.34Å; L213-M314 HydrophobicContact CD1-CE 3.89Å
214	P	29.9	Very low	30.4	Very low	89 Å²	89	76.1 Å²	76.1	58%	0.578	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-62.1	150.5	171.3	-19.2	29.3	0	0	0	112.9	T217	P214-T217 WeakPolarHBondContact CD-OG1 3.25Å; P214-T217 VanDerWaalsContact O-CB 3.22Å; P214-T217 WeakPolarHBondContact O-CB 3.29Å; P214-T217 PolarHBondContact O-N 2.9Å; P214-T217 PolarHBondContact O-OG1 2.02Å
215	L	27.1	Very low	31	Very low	105 Å²	105	78.9 Å²	78.9	55%	0.55	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	139.3	171.7	-69.9	171.5	0	0	0	111.3	T217 I330 V333	L215-T217 VanDerWaalsContact C-N 3.26Å; L215-T217 PolarHBondContact O-N 2.86Å; L215-I330 HydrophobicContact CD1-CB 4.47Å; L215-V333 HydrophobicContact CD2-CB 4.4Å; L215-V333 HydrophobicContact CD2-CG1 4.12Å; L215-V333 HydrophobicContact CD2-CG2 3.45Å; L215-V333 VanDerWaalsContact CD2-CG2 3.45Å
216	G	24	Very low	31.6	Very low	43 Å²	43	79.3 Å²	79.3	44%	0.443	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	5.8	-175.4	0	0	0	0	0	114.5	Y218 M314	G216-Y218 WeakPolarHBondContact O-CD2 3.42Å; G216-M314 WeakPolarHBondContact CA-O 3.16Å; G216-M314 PolarHBondContact N-O 2.77Å
217	T	26.6	Very low	32.5	Very low	38 Å²	38	73 Å²	73	23%	0.233	39%	0.393	C	S	.	.			trans	-71.3	132.5	174.6	-53.9	0	0	0	0	110.3	L213 P214 L215 V219	L213-T217 HydrophobicContact CD2-CG2 4.24Å; P214-T217 WeakPolarHBondContact CD-OG1 3.25Å; P214-T217 VanDerWaalsContact O-CB 3.22Å; P214-T217 WeakPolarHBondContact O-CB 3.29Å; P214-T217 PolarHBondContact O-N 2.9Å; P214-T217 PolarHBondContact O-OG1 2.02Å; L215-T217 VanDerWaalsContact C-N 3.26Å; L215-T217 PolarHBondContact O-N 2.86Å; T217-V219 HydrophobicContact CG2-CG2 3.84Å
218	Y	26.6	Very low	33.2	Very low	134 Å²	134	75.9 Å²	75.9	53%	0.525	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.8	170.4	-79.7	-141.5	0	0	0	106.8	G216 K313 E315	G216-Y218 WeakPolarHBondContact O-CD2 3.42Å; Y218-K313 HydrophobicContact CD1-CD 3.97Å; Y218-K313 HydrophobicContact CD1-CG 3.92Å; Y218-K313 HydrophobicContact CD2-CB 4.48Å; Y218-K313 HydrophobicContact CD2-CD 4.4Å; Y218-K313 HydrophobicContact CD2-CG 4.03Å; Y218-K313 HydrophobicContact CE1-CD 3.51Å; Y218-K313 HydrophobicContact CE1-CG 3.97Å; Y218-K313 HydrophobicContact CE2-CB 4.33Å; Y218-K313 HydrophobicContact CE2-CD 3.88Å; Y218-K313 HydrophobicContact CE2-CG 3.96Å; Y218-K313 HydrophobicContact CG-CD 4.41Å; Y218-K313 HydrophobicContact CG-CG 3.96Å; Y218-K313 VanDerWaalsContact CZ-NZ 3.26Å; Y218-K313 WeakPolarHBondContact OH-CD 3.28Å; Y218-K313 WeakPolarHBondContact OH-CE 3.32Å; Y218-K313 PolarHBondContact OH-NZ 2.84Å; Y218-E315 PolarHBondContact OH-OE1 2.76Å
219	V	31.1	Very low	34	Very low	37 Å²	37	69 Å²	69	22%	0.224	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.9	175.9	-177.7	0	0	0	0	108.3	L213 T217 W221 A312	L213-V219 HydrophobicContact CD1-CG2 3.58Å; L213-V219 HydrophobicContact CD2-CG2 3.89Å; L213-V219 HydrophobicContact CG-CG2 4.36Å; T217-V219 HydrophobicContact CG2-CG2 3.84Å; V219-W221 HydrophobicContact CG1-CE3 4.37Å; V219-W221 PolarHBondContact O-N 2.97Å; V219-A312 PolarHBondContact N-O 2.98Å; V219-A312 PolarHBondContact O-N 2.74Å
220	K	32.1	Very low	34.8	Very low	142 Å²	142	69.9 Å²	69.9	62%	0.617	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.3	164.4	-178.5	167.2	-175.8	-180	0	107.3	P222 D311	K220-P222 WeakPolarHBondContact O-CD 3.31Å; K220-D311 VanDerWaalsContact CA-OD1 3.26Å; K220-D311 WeakPolarHBondContact CA-OD1 3.09Å; K220-D311 VanDerWaalsContact CB-OD1 3.26Å; K220-D311 WeakPolarHBondContact CB-OD1 3.34Å; K220-D311 VanDerWaalsContact CG-OD1 3.28Å; K220-D311 WeakPolarHBondContact CG-OD1 3.48Å
221	W	39	Very low	35.7	Very low	40 Å²	40	63.5 Å²	63.5	15%	0.152	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.1	-178.3	-142.8	-41.4	0	0	0	109.9	Q207 V219 T309 F310	Q207-W221 HydrophobicContact CB-CH2 3.54Å; Q207-W221 HydrophobicContact CB-CZ2 3.6Å; Q207-W221 HydrophobicContact CG-CH2 3.53Å; Q207-W221 HydrophobicContact CG-CZ2 3.65Å; V219-W221 HydrophobicContact CG1-CE3 4.37Å; V219-W221 PolarHBondContact O-N 2.97Å; W221-T309 WeakPolarHBondContact O-CA 3.5Å; W221-F310 WeakPolarHBondContact CA-O 3.01Å; W221-F310 HydrophobicContact CB-CD2 4.08Å; W221-F310 HydrophobicContact CB-CE1 4.31Å; W221-F310 HydrophobicContact CB-CE2 3.64Å; W221-F310 HydrophobicContact CB-CZ 3.78Å; W221-F310 HydrophobicContact CD2-CZ 4.46Å; W221-F310 HydrophobicContact CE3-CE2 4.45Å; W221-F310 HydrophobicContact CG-CE2 4.23Å; W221-F310 HydrophobicContact CG-CZ 4.05Å; W221-F310 PolarHBondContact N-O 2.8Å; W221-F310 PolarHBondContact O-N 2.92Å
222	P	39.1	Very low	36.4	Very low	43 Å²	43	64.2 Å²	64.2	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.4	170.7	35.3	-34.9	0	0	0	110.1	K220 T224 T309	K220-P222 WeakPolarHBondContact O-CD 3.31Å; P222-T224 HydrophobicContact CB-CG2 3.64Å; P222-T224 VanDerWaalsContact CB-OG1 3.23Å; P222-T224 WeakPolarHBondContact CB-OG1 3.22Å; P222-T224 VanDerWaalsContact CG-OG1 3.23Å; P222-T224 WeakPolarHBondContact CG-OG1 3.49Å; P222-T224 PolarHBondContact O-N 2.74Å; P222-T309 HydrophobicContact CB-CG2 3.71Å
223	V	42.7	Very low	37.2	Very low	11 Å²	11	58.5 Å²	58.5	7%	0.067	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	66.4	160.8	-173	0	0	0	0	106.7	I282 F308 F310	V223-I282 HydrophobicContact CG1-CD1 3.65Å; V223-I282 WeakPolarHBondContact O-CD1 3.44Å; V223-F308 WeakPolarHBondContact CB-O 3.24Å; V223-F308 HydrophobicContact CG2-CE1 4.24Å; V223-F308 HydrophobicContact CG2-CE2 4.22Å; V223-F308 HydrophobicContact CG2-CZ 4.05Å; V223-F308 PolarHBondContact N-O 2.89Å; V223-F310 HydrophobicContact CG2-CD1 4.15Å; V223-F310 HydrophobicContact CG2-CE1 3.68Å
224	T	39.7	Very low	38	Very low	14 Å²	14	60.5 Å²	60.5	9%	0.086	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-20.6	179.8	49.3	0	0	0	0	112.4	P222 I282 F284	P222-T224 HydrophobicContact CB-CG2 3.64Å; P222-T224 VanDerWaalsContact CB-OG1 3.23Å; P222-T224 WeakPolarHBondContact CB-OG1 3.22Å; P222-T224 VanDerWaalsContact CG-OG1 3.23Å; P222-T224 WeakPolarHBondContact CG-OG1 3.49Å; P222-T224 PolarHBondContact O-N 2.74Å; T224-I282 CarbonylContact O-C 3.39Å; T224-I282 WeakPolarHBondContact O-CB 3.26Å; T224-F284 VanDerWaalsContact CB-CD1 3.42Å; T224-F284 VanDerWaalsContact CB-CE1 3.44Å; T224-F284 HydrophobicContact CG2-CD1 3.88Å; T224-F284 HydrophobicContact CG2-CE1 4.31Å; T224-F284 WeakPolarHBondContact OG1-CE1 3.43Å
225	D	39.5	Very low	39	Very low	81 Å²	81	56.4 Å²	56.4	43%	0.433	29%	0.292	S	S	.	.	S	Bend	trans	-85.7	-43.5	-164.8	-59.8	-12.7	0	0	0	111.9	H281 F284	D225-H281 WeakPolarHBondContact O-CA 3.14Å; D225-H281 PolarHBondContact O-ND1 3.46Å; D225-F284 VanDerWaalsContact OD1-CZ 3.3Å; D225-F284 WeakPolarHBondContact OD1-CZ 3.43Å
226	S	41.6	Very low	40.4	Very low	38 Å²	38	57.2 Å²	57.2	27%	0.266	29%	0.293	S	S	.	.			trans	-164.6	147	174.2	56.3	0	0	0	0	114.2	F280	S226-F280 CarbonylContact C-O 3.5Å; S226-F280 WeakPolarHBondContact CA-O 3.41Å; S226-F280 WeakPolarHBondContact CB-O 3.13Å
227	V	46.8	Very low	42.3	Very low	5 Å²	5	62.5 Å²	62.5	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.4	168.1	146.3	0	0	0	0	107.6	L203 F229 T279 F280 I282 F289 I291	L203-V227 HydrophobicContact CD2-CB 4.32Å; L203-V227 HydrophobicContact CD2-CG1 3.42Å; L203-V227 VanDerWaalsContact CD2-CG1 3.42Å; L203-V227 HydrophobicContact CD2-CG2 4.18Å; V227-F229 HydrophobicContact CG1-CD1 4.17Å; V227-T279 CarbonylContact O-C 3.46Å; V227-T279 WeakPolarHBondContact O-CA 3.39Å; V227-F280 PolarHBondContact N-O 2.86Å; V227-F280 PolarHBondContact O-N 2.78Å; V227-I282 HydrophobicContact CB-CD1 4.01Å; V227-I282 HydrophobicContact CB-CG1 3.83Å; V227-I282 HydrophobicContact CG2-CD1 3.25Å; V227-I282 HydrophobicContact CG2-CG1 3.54Å; V227-F289 HydrophobicContact CG2-CE1 4.45Å; V227-F289 HydrophobicContact CG2-CE2 4.05Å; V227-F289 HydrophobicContact CG2-CZ 3.9Å; V227-I291 HydrophobicContact CG1-CD1 3.68Å
228	R	44.2	Very low	44.1	Very low	86 Å²	86	63.6 Å²	63.6	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.1	169.9	-175	175.9	177.6	-176.9	2.5	110.1	D277 V278 T279	R228-D277 WeakPolarHBondContact CG-OD1 3.36Å; R228-D277 IonicContact CZ-OD1 3.77Å; R228-D277 IonicContact CZ-OD2 3.22Å; R228-D277 VanDerWaalsContact CZ-OD2 3.22Å; R228-D277 VanDerWaalsContact NE-CG 3.27Å; R228-D277 IonicContact NE-OD1 2.82Å; R228-D277 PolarHBondContact NE-OD1 3.48Å; R228-D277 IonicContact NE-OD2 3.07Å; R228-D277 PolarHBondContact NE-OD2 2.79Å; R228-D277 IonicContact NH2-OD1 3.89Å; R228-D277 IonicContact NH2-OD2 2.63Å; R228-D277 PolarHBondContact NH2-OD2 2.87Å; R228-V278 CarbonylContact C-O 3.56Å; R228-V278 VanDerWaalsContact CA-O 3.29Å; R228-V278 WeakPolarHBondContact CA-O 3.34Å; R228-T279 HydrophobicContact CB-CG2 4.42Å; R228-T279 WeakPolarHBondContact CG-OG1 3.27Å
229	F	45.7	Very low	45.8	Very low	12 Å²	12	60.9 Å²	60.9	5%	0.053	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.2	173.2	72	-75.4	0	0	0	110.6	L203 V227 Y231 V243 V278 F280 I291 I293	L203-F229 HydrophobicContact CD2-CB 4.04Å; V227-F229 HydrophobicContact CG1-CD1 4.17Å; F229-Y231 HydrophobicContact CE2-CD1 4.36Å; F229-V243 HydrophobicContact CE1-CG1 4.24Å; F229-V243 HydrophobicContact CE2-CG1 3.86Å; F229-V243 HydrophobicContact CZ-CG1 3.23Å; F229-V278 HydrophobicContact CD1-CB 4.33Å; F229-V278 HydrophobicContact CE1-CB 3.81Å; F229-V278 HydrophobicContact CE1-CG1 4.04Å; F229-V278 HydrophobicContact CZ-CB 4.04Å; F229-V278 HydrophobicContact CZ-CG1 4.38Å; F229-V278 PolarHBondContact N-O 3.39Å; F229-V278 PolarHBondContact O-N 3.06Å; F229-F280 HydrophobicContact CD1-CD2 4.41Å; F229-F280 AromaticContact CE1-CD2 3.5Å; F229-F280 HydrophobicContact CE1-CD2 3.5Å; F229-F280 AromaticContact CE1-CE2 3.39Å; F229-F280 HydrophobicContact CE1-CE2 3.39Å; F229-F280 HydrophobicContact CZ-CD2 4.31Å; F229-F280 AromaticContact CZ-CE2 3.73Å; F229-F280 HydrophobicContact CZ-CE2 3.73Å; F229-I291 HydrophobicContact CD1-CD1 3.86Å; F229-I291 HydrophobicContact CD1-CG2 4.26Å; F229-I291 HydrophobicContact CD2-CG2 4.28Å; F229-I291 HydrophobicContact CE1-CD1 4.12Å; F229-I291 HydrophobicContact CE1-CG2 3.62Å; F229-I291 HydrophobicContact CE2-CG2 3.62Å; F229-I291 HydrophobicContact CG-CD1 4.19Å; F229-I291 HydrophobicContact CZ-CG2 3.2Å; F229-I293 HydrophobicContact CE2-CD1 4.36Å
230	S	42.1	Very low	47.5	Very low	89 Å²	89	60.6 Å²	60.6	62%	0.622	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	141	175.4	-56	0	0	0	0	109.7	G276	S230-G276 WeakPolarHBondContact CA-O 3.28Å
231	Y	46.1	Very low	48.4	Very low	16 Å²	16	53.8 Å²	53.8	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.5	176.6	79.8	-83.4	0	0	0	111.6	F229 V241 V243 F266 S275 G276 V278 I293	F229-Y231 HydrophobicContact CE2-CD1 4.36Å; Y231-V241 HydrophobicContact CD2-CG1 4.31Å; Y231-V241 HydrophobicContact CE2-CB 4.2Å; Y231-V241 HydrophobicContact CE2-CG1 3.71Å; Y231-V243 HydrophobicContact CD1-CG2 3.88Å; Y231-V243 HydrophobicContact CD2-CG2 4.41Å; Y231-V243 HydrophobicContact CE1-CG2 3.55Å; Y231-V243 HydrophobicContact CE2-CG2 4.15Å; Y231-V243 HydrophobicContact CG-CG2 4.31Å; Y231-F266 AromaticContact CE1-CD2 3.98Å; Y231-F266 HydrophobicContact CE1-CD2 3.98Å; Y231-F266 AromaticContact CE1-CE2 3.97Å; Y231-F266 HydrophobicContact CE1-CE2 3.97Å; Y231-F266 HydrophobicContact CE1-CG 4.38Å; Y231-F266 HydrophobicContact CE1-CZ 4.38Å; Y231-F266 AromaticContact CZ-CD2 3.78Å; Y231-F266 AromaticContact CZ-CG 3.96Å; Y231-F266 WeakPolarHBondContact OH-CB 3.28Å; Y231-F266 WeakPolarHBondContact OH-CD1 3.42Å; Y231-F266 WeakPolarHBondContact OH-CD2 3.31Å; Y231-F266 WeakPolarHBondContact OH-CG 3.31Å; Y231-S275 VanDerWaalsContact O-CA 3.31Å; Y231-S275 WeakPolarHBondContact O-CA 3.32Å; Y231-S275 WeakPolarHBondContact O-CB 3.09Å; Y231-G276 WeakPolarHBondContact CD1-O 3.49Å; Y231-G276 PolarHBondContact N-O 3.25Å; Y231-G276 PolarHBondContact O-N 3.41Å; Y231-V278 HydrophobicContact CD1-CG2 3.92Å; Y231-V278 HydrophobicContact CE1-CG2 3.72Å; Y231-I293 HydrophobicContact CD2-CD1 4.5Å; Y231-I293 HydrophobicContact CD2-CG2 4.44Å; Y231-I293 HydrophobicContact CG-CD1 4.16Å
232	Y	42.7	Very low	49.3	Very low	148 Å²	148	54.4 Å²	54.4	58%	0.58	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	126.2	177.3	-178	-81.8	0	0	0	109	N234 V273	Y232-N234 WeakPolarHBondContact CE1-OD1 3.34Å; Y232-V273 HydrophobicContact CD2-CG1 3.74Å; Y232-V273 HydrophobicContact CE1-CG1 4.09Å; Y232-V273 HydrophobicContact CE2-CB 4.33Å; Y232-V273 HydrophobicContact CE2-CG1 3.04Å; Y232-V273 HydrophobicContact CE2-CG2 4.44Å; Y232-V273 WeakPolarHBondContact OH-CG1 3.03Å; Y232-V273 WeakPolarHBondContact OH-CG2 3.3Å
233	A	45.6	Very low	50	Low	11 Å²	11	52.3 Å²	52.3	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.2	176.7	0	0	0	0	0	110.1	Q235 V241 A274	A233-Q235 HydrophobicContact CB-CG 4.3Å; A233-Q235 PolarHBondContact O-N 3.11Å; A233-V241 HydrophobicContact CB-CG2 3.94Å; A233-A274 PolarHBondContact N-O 3.27Å; A233-A274 PolarHBondContact O-N 3.43Å
234	N	46.8	Very low	50.7	Low	89 Å²	89	51.9 Å²	51.9	48%	0.476	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.5	168.6	-71.7	-36.9	0	0	0	108	Y232	Y232-N234 WeakPolarHBondContact CE1-OD1 3.34Å
235	Q	50.6	Low	51.6	Low	3 Å²	3	51.4 Å²	51.4	1%	0.014	27%	0.267	C	S	.	.			trans	-140.7	135.8	-176.4	-71.3	-60.3	-57.3	0	0	111	A233 V241 P268 S272 A274 T295	A233-Q235 HydrophobicContact CB-CG 4.3Å; A233-Q235 PolarHBondContact O-N 3.11Å; Q235-V241 HydrophobicContact CG-CG2 3.45Å; Q235-V241 VanDerWaalsContact CG-CG2 3.45Å; Q235-P268 HydrophobicContact CB-CB 4.09Å; Q235-P268 HydrophobicContact CB-CG 4.08Å; Q235-S272 PolarHBondContact N-O 3.42Å; Q235-S272 CarbonylContact O-C 3.52Å; Q235-S272 WeakPolarHBondContact O-CA 3.4Å; Q235-S272 WeakPolarHBondContact O-CB 3.35Å; Q235-A274 HydrophobicContact CG-CB 4.34Å; Q235-T295 VanDerWaalsContact NE2-CG2 3.28Å
236	E	55.2	Low	52.3	Low	121 Å²	121	48 Å²	48	57%	0.565	25%	0.249	S	C	*	.			trans	-55.9	146.8	174.5	-72	179.5	178.3	0	0	112.1	G238 K239 Q297	E236-G238 PolarHBondContact O-N 3.26Å; E236-G238 VanDerWaalsContact O-N 3.1Å; E236-K239 HydrophobicContact CB-CG 3.87Å; E236-K239 VanDerWaalsContact O-CB 3.3Å; E236-K239 WeakPolarHBondContact O-CB 3.27Å; E236-K239 PolarHBondContact O-N 2.95Å; E236-Q297 VanDerWaalsContact CD-NE2 3.35Å
237	Q	64.2	Low	52.9	Low	154 Å²	154	46.4 Å²	46.4	72%	0.72	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	120	-179.3	-167.7	175.3	23.7	0	0	111.5
238	G	64.4	Low	52.9	Low	61 Å²	61	48.9 Å²	48.9	63%	0.629	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	3.4	-177.2	0	0	0	0	0	115.4	E236	E236-G238 PolarHBondContact O-N 3.26Å; E236-G238 VanDerWaalsContact O-N 3.1Å
239	K	62	Low	53	Low	78 Å²	78	48.6 Å²	48.6	34%	0.339	25%	0.252	S	S	.	.			trans	-99.8	124.2	172.8	-63.5	-66.1	-176.6	169.6	0	110.3	E236 P268 D296 Q297	E236-K239 HydrophobicContact CB-CG 3.87Å; E236-K239 VanDerWaalsContact O-CB 3.3Å; E236-K239 WeakPolarHBondContact O-CB 3.27Å; E236-K239 PolarHBondContact O-N 2.95Å; K239-P268 WeakPolarHBondContact O-CD 3.32Å; K239-P268 VanDerWaalsContact O-CG 3.22Å; K239-P268 WeakPolarHBondContact O-CG 3.49Å; K239-D296 HydrophobicContact CB-CB 3.99Å; K239-D296 HydrophobicContact CD-CB 3.65Å; K239-D296 HydrophobicContact CG-CB 4.44Å; K239-Q297 HydrophobicContact CB-CG 4.33Å; K239-Q297 HydrophobicContact CD-CG 4.46Å; K239-Q297 HydrophobicContact CG-CG 4.17Å
240	N	67.1	Low	52.8	Low	30 Å²	30	55.3 Å²	55.3	16%	0.16	28%	0.276	C	S	.	.			trans	-81.9	157.1	-177.5	-58.9	-41	0	0	0	112.4	Y242 T265 F266 Q267 T295 D296	N240-Y242 HydrophobicContact CB-CE1 4.33Å; N240-Y242 HydrophobicContact CB-CE2 3.99Å; N240-Y242 PolarHBondContact ND2-OH 3.13Å; N240-T265 HydrophobicContact CB-CG2 3.57Å; N240-F266 WeakPolarHBondContact CA-O 3.15Å; N240-Q267 WeakPolarHBondContact OD1-CG 3.27Å; N240-T295 WeakPolarHBondContact O-CA 3.03Å; N240-D296 WeakPolarHBondContact CB-OD2 3.28Å; N240-D296 PolarHBondContact N-OD2 2.85Å; N240-D296 PolarHBondContact ND2-OD2 2.87Å; N240-D296 PolarHBondContact O-N 3.3Å
241	V	52.4	Low	52.5	Low	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135	161.2	-175.6	0	0	0	0	108.5	Y231 A233 Q235 V243 T265 F266 A274 I293 D294 T295	Y231-V241 HydrophobicContact CD2-CG1 4.31Å; Y231-V241 HydrophobicContact CE2-CB 4.2Å; Y231-V241 HydrophobicContact CE2-CG1 3.71Å; A233-V241 HydrophobicContact CB-CG2 3.94Å; Q235-V241 HydrophobicContact CG-CG2 3.45Å; Q235-V241 VanDerWaalsContact CG-CG2 3.45Å; V241-V243 HydrophobicContact CG1-CG2 3.99Å; V241-T265 CarbonylContact O-C 3.59Å; V241-T265 WeakPolarHBondContact O-CA 3.47Å; V241-F266 PolarHBondContact N-O 3.09Å; V241-F266 PolarHBondContact O-N 2.74Å; V241-A274 HydrophobicContact CB-CB 4.2Å; V241-A274 HydrophobicContact CG2-CB 3.36Å; V241-I293 HydrophobicContact CG1-CG2 3.47Å; V241-I293 VanDerWaalsContact CG1-CG2 3.47Å; V241-D294 CarbonylContact C-O 3.53Å; V241-D294 WeakPolarHBondContact CA-O 3.44Å; V241-D294 WeakPolarHBondContact CG1-O 2.83Å; V241-T295 HydrophobicContact CG1-CG2 4.49Å; V241-T295 HydrophobicContact CG2-CG2 4.34Å
242	Y	56.9	Low	52	Low	52 Å²	52	56.7 Å²	56.7	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	175.2	-53.3	-86.7	0	0	0	107.4	N240 E263 T265 I293 D294 D296	N240-Y242 HydrophobicContact CB-CE1 4.33Å; N240-Y242 HydrophobicContact CB-CE2 3.99Å; N240-Y242 PolarHBondContact ND2-OH 3.13Å; Y242-E263 WeakPolarHBondContact CB-OE1 3.37Å; Y242-E263 WeakPolarHBondContact CD1-OE1 3.44Å; Y242-T265 HydrophobicContact CD1-CG2 3.8Å; Y242-T265 WeakPolarHBondContact CD1-OG1 3.45Å; Y242-T265 HydrophobicContact CE1-CG2 3.54Å; Y242-I293 CarbonylContact O-C 3.51Å; Y242-I293 VanDerWaalsContact O-CA 3.27Å; Y242-I293 WeakPolarHBondContact O-CA 3.29Å; Y242-D294 PolarHBondContact N-O 2.82Å; Y242-D294 PolarHBondContact O-N 2.75Å; Y242-D296 WeakPolarHBondContact CE2-OD1 3.44Å; Y242-D296 VanDerWaalsContact CZ-OD1 3.27Å; Y242-D296 PolarHBondContact OH-OD1 2.8Å
243	V	54.4	Low	51.5	Low	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.6	-178.5	-178	0	0	0	0	106.9	F229 Y231 V241 E263 R264 F266 V278 F280 G292 I293	F229-V243 HydrophobicContact CE1-CG1 4.24Å; F229-V243 HydrophobicContact CE2-CG1 3.86Å; F229-V243 HydrophobicContact CZ-CG1 3.23Å; Y231-V243 HydrophobicContact CD1-CG2 3.88Å; Y231-V243 HydrophobicContact CD2-CG2 4.41Å; Y231-V243 HydrophobicContact CE1-CG2 3.55Å; Y231-V243 HydrophobicContact CE2-CG2 4.15Å; Y231-V243 HydrophobicContact CG-CG2 4.31Å; V241-V243 HydrophobicContact CG1-CG2 3.99Å; V243-E263 CarbonylContact O-C 3.5Å; V243-E263 VanDerWaalsContact O-CA 3.29Å; V243-E263 WeakPolarHBondContact O-CA 3.49Å; V243-R264 PolarHBondContact N-O 3.02Å; V243-R264 PolarHBondContact O-N 3.03Å; V243-F266 HydrophobicContact CB-CD2 4.43Å; V243-F266 HydrophobicContact CB-CE2 4.06Å; V243-F266 HydrophobicContact CG2-CD2 3.91Å; V243-F266 HydrophobicContact CG2-CE2 3.93Å; V243-V278 HydrophobicContact CG1-CG1 4.36Å; V243-V278 HydrophobicContact CG1-CG2 4.22Å; V243-F280 HydrophobicContact CG1-CE2 3.92Å; V243-F280 HydrophobicContact CG1-CZ 3.9Å; V243-F280 WeakPolarHBondContact O-CZ 3.18Å; V243-G292 CarbonylContact C-O 3.57Å; V243-G292 WeakPolarHBondContact CA-O 3.43Å; V243-I293 HydrophobicContact CG1-CG1 4.39Å; V243-I293 HydrophobicContact CG2-CG1 4.4Å; V243-I293 HydrophobicContact CG2-CG2 4.39Å
244	S	57.3	Low	50.9	Low	2 Å²	2	65.7 Å²	65.7	1%	0.014	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.9	-173.8	59.7	0	0	0	0	112.9	E262 I291 G292	S244-E262 CarbonylContact C-O 3.35Å; S244-E262 WeakPolarHBondContact CA-O 3.06Å; S244-I291 CarbonylContact O-C 3.48Å; S244-I291 VanDerWaalsContact O-CA 3.32Å; S244-I291 WeakPolarHBondContact O-CA 3.29Å; S244-G292 PolarHBondContact N-O 2.71Å; S244-G292 PolarHBondContact O-N 2.99Å
245	L	57.7	Low	50.2	Low	4 Å²	4	64.7 Å²	64.7	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.1	160.4	-174.7	72.6	0	0	0	108.1	Y261 E262 F280 H281 F289 R290 I291	L245-Y261 WeakPolarHBondContact O-CA 2.91Å; L245-E262 PolarHBondContact N-O 3.41Å; L245-E262 PolarHBondContact O-N 3.18Å; L245-F280 HydrophobicContact CB-CB 3.86Å; L245-F280 HydrophobicContact CB-CD1 3.98Å; L245-F280 HydrophobicContact CB-CD2 3.55Å; L245-F280 HydrophobicContact CB-CE1 4.37Å; L245-F280 HydrophobicContact CB-CE2 3.95Å; L245-F280 HydrophobicContact CB-CG 3.56Å; L245-F280 HydrophobicContact CB-CZ 4.36Å; L245-F280 HydrophobicContact CD1-CD2 4.44Å; L245-F280 HydrophobicContact CD2-CB 3.52Å; L245-F280 HydrophobicContact CD2-CG 4.22Å; L245-F280 HydrophobicContact CG-CB 4.19Å; L245-F280 HydrophobicContact CG-CD2 4.4Å; L245-F280 HydrophobicContact CG-CG 4.39Å; L245-H281 VanDerWaalsContact CD2-O 3.3Å; L245-H281 WeakPolarHBondContact CD2-O 3.32Å; L245-F289 HydrophobicContact CD1-CB 3.95Å; L245-F289 HydrophobicContact CD1-CD2 3.78Å; L245-F289 HydrophobicContact CD1-CG 4.21Å; L245-R290 CarbonylContact C-O 3.44Å; L245-R290 WeakPolarHBondContact CA-O 3.36Å; L245-I291 HydrophobicContact CD1-CG1 3.86Å
246	T	54.2	Low	49.3	Very low	10 Å²	10	66 Å²	66	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119	172	-47	0	0	0	0	108.3	L248 F259 F289 R290	T246-L248 HydrophobicContact CG2-CD2 4.25Å; T246-F259 HydrophobicContact CG2-CB 4.41Å; T246-F289 CarbonylContact O-C 3.56Å; T246-F289 VanDerWaalsContact O-CA 3.31Å; T246-F289 WeakPolarHBondContact O-CA 3.22Å; T246-R290 PolarHBondContact N-O 2.93Å; T246-R290 PolarHBondContact O-N 2.94Å; T246-R290 PolarHBondContact OG1-NH2 3.49Å
247	C	54.3	Low	48.3	Very low	4 Å²	4	66.7 Å²	66.7	3%	0.027	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.3	173.7	-65.1	0	0	0	0	110.5	F259 C283	C247-F259 WeakPolarHBondContact O-CD1 3Å; C247-C283 HydrophobicContact CB-CB 3.45Å; C247-C283 VanDerWaalsContact CB-CB 3.45Å; C247-C283 WeakPolarHBondContact CB-SG 2.81Å; C247-C283 WeakPolarHBondContact SG-CB 3.49Å; C247-C283 PolarHBondContact SG-N 2.78Å; C247-C283 VanDerWaalsContact SG-N 3.4Å; C247-C283 CovalentContact SG-SG 2.02Å; C247-C283 PolarHBondContact SG-SG 2.76Å
248	L	47.5	Very low	46.7	Very low	56 Å²	56	64.8 Å²	64.8	29%	0.293	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.6	-177.8	-58.7	168.8	0	0	0	109.5	T246 F259 E287 L288	T246-L248 HydrophobicContact CG2-CD2 4.25Å; L248-F259 HydrophobicContact CD2-CD1 3.98Å; L248-F259 HydrophobicContact CD2-CE1 3.53Å; L248-F259 HydrophobicContact CD2-CZ 3.97Å; L248-E287 PolarHBondContact O-N 3.25Å; L248-L288 HydrophobicContact CB-CB 4.38Å; L248-L288 HydrophobicContact CD1-CB 4.46Å; L248-L288 HydrophobicContact CD1-CD2 4Å; L248-L288 PolarHBondContact N-O 3.08Å; L248-L288 PolarHBondContact O-N 2.98Å
249	K	46.3	Very low	45.6	Very low	81 Å²	81	64.1 Å²	64.1	35%	0.352	34%	0.342	S	S	.	.			trans	-97.2	154.1	174.5	-65.9	-167.9	178.5	-169.4	0	110.7	G251 E252 D285	K249-G251 PolarHBondContact O-N 3.23Å; K249-E252 HydrophobicContact CB-CG 4.28Å; K249-E252 PolarHBondContact O-N 3.4Å; K249-D285 IonicContact NZ-OD2 3.27Å
250	R	40.5	Very low	44.7	Very low	152 Å²	152	66.5 Å²	66.5	57%	0.574	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	122.7	178.7	-162.5	176.5	178.3	179.7	-6	111.4	H147 E252 E287	H147-R250 PolarHBondContact NE2-NH2 3.38Å; R250-E252 VanDerWaalsContact C-N 3.34Å; R250-E252 PolarHBondContact O-N 3.05Å; R250-E287 WeakPolarHBondContact CA-OE2 3.14Å; R250-E287 VanDerWaalsContact CB-CD 3.44Å; R250-E287 HydrophobicContact CB-CG 4.31Å; R250-E287 WeakPolarHBondContact CB-OE1 3.13Å; R250-E287 WeakPolarHBondContact CB-OE2 3.24Å; R250-E287 VanDerWaalsContact CD-OE1 3.24Å; R250-E287 WeakPolarHBondContact CD-OE1 3.37Å; R250-E287 VanDerWaalsContact CG-OE1 3.31Å; R250-E287 WeakPolarHBondContact CG-OE1 3.39Å
251	G	36.1	Very low	43.8	Very low	78 Å²	78	70.7 Å²	70.7	80%	0.804	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	18	172	0	0	0	0	0	116	K249	K249-G251 PolarHBondContact O-N 3.23Å
252	E	36	Very low	43.6	Very low	57 Å²	57	73.7 Å²	73.7	27%	0.266	38%	0.382	S	S	.	.			trans	-85.9	124.9	170	-72.3	-161.1	176.3	0	0	111.7	K249 R250 S256 N258 F259	K249-E252 HydrophobicContact CB-CG 4.28Å; K249-E252 PolarHBondContact O-N 3.4Å; R250-E252 VanDerWaalsContact C-N 3.34Å; R250-E252 PolarHBondContact O-N 3.05Å; E252-S256 VanDerWaalsContact CD-OG 3.3Å; E252-S256 WeakPolarHBondContact OE2-CB 3.28Å; E252-S256 PolarHBondContact OE2-OG 3.31Å; E252-N258 WeakPolarHBondContact OE1-CB 3.36Å; E252-F259 HydrophobicContact CB-CE1 4.02Å; E252-F259 HydrophobicContact CB-CZ 4.08Å; E252-F259 VanDerWaalsContact OE2-CE1 3.28Å; E252-F259 WeakPolarHBondContact OE2-CE1 3.35Å
253	D	33	Very low	43.5	Very low	116 Å²	116	75.2 Å²	75.2	62%	0.62	39%	0.391	S	S	*	.			trans	-57.2	146.2	175.7	-62.6	-27.8	0	0	0	112.1	G255 S256	D253-G255 PolarHBondContact O-N 2.99Å; D253-S256 PolarHBondContact O-N 3.22Å
254	R	32.8	Very low	43.6	Very low	231 Å²	231	79.3 Å²	79.3	87%	0.872	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	103.4	166.7	-88	-178	166.7	166.2	-0.4	109.2
255	G	31.2	Very low	43.2	Very low	69 Å²	69	82.9 Å²	82.9	71%	0.711	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.2	-1.3	-179.2	0	0	0	0	0	115.4	D253 T257	D253-G255 PolarHBondContact O-N 2.99Å; G255-T257 PolarHBondContact O-N 3.01Å
256	S	33.2	Very low	43.2	Very low	31 Å²	31	85.1 Å²	85.1	22%	0.217	44%	0.439	C	S	.	.			trans	-50.5	137.4	165.9	166	0	0	0	0	110.9	E252 D253 N258 F259	E252-S256 VanDerWaalsContact CD-OG 3.3Å; E252-S256 WeakPolarHBondContact OE2-CB 3.28Å; E252-S256 PolarHBondContact OE2-OG 3.31Å; D253-S256 PolarHBondContact O-N 3.22Å; S256-N258 VanDerWaalsContact C-N 3.26Å; S256-N258 WeakPolarHBondContact OG-CB 3.1Å; S256-N258 PolarHBondContact OG-N 3.08Å; S256-N258 VanDerWaalsContact OG-N 3.11Å; S256-F259 WeakPolarHBondContact O-CD2 2.88Å; S256-F259 WeakPolarHBondContact O-CE2 3.34Å
257	T	32.7	Very low	43.2	Very low	135 Å²	135	92 Å²	92	83%	0.828	47%	0.47	S	S	*	.	S	Bend	trans	-85.7	1.5	174.1	52.1	0	0	0	0	112.8	G255 F259	G255-T257 PolarHBondContact O-N 3.01Å; T257-F259 VanDerWaalsContact C-N 3.25Å; T257-F259 PolarHBondContact O-N 3.28Å
258	N	31.1	Very low	43.3	Very low	114 Å²	114	92.7 Å²	92.7	61%	0.61	48%	0.475	S	S	*	.			trans	-89.4	17.3	-177	-65.3	-21.9	0	0	0	113.3	E252 S256	E252-N258 WeakPolarHBondContact OE1-CB 3.36Å; S256-N258 VanDerWaalsContact C-N 3.26Å; S256-N258 WeakPolarHBondContact OG-CB 3.1Å; S256-N258 PolarHBondContact OG-N 3.08Å; S256-N258 VanDerWaalsContact OG-N 3.11Å
259	F	40.3	Very low	43.7	Very low	47 Å²	47	93.8 Å²	93.8	21%	0.206	48%	0.48	C	S	.	.			trans	-82.4	130.6	171.9	-55.9	-58.3	0	0	0	110.4	T246 C247 L248 E252 S256 T257 Y261	T246-F259 HydrophobicContact CG2-CB 4.41Å; C247-F259 WeakPolarHBondContact O-CD1 3Å; L248-F259 HydrophobicContact CD2-CD1 3.98Å; L248-F259 HydrophobicContact CD2-CE1 3.53Å; L248-F259 HydrophobicContact CD2-CZ 3.97Å; E252-F259 HydrophobicContact CB-CE1 4.02Å; E252-F259 HydrophobicContact CB-CZ 4.08Å; E252-F259 VanDerWaalsContact OE2-CE1 3.28Å; E252-F259 WeakPolarHBondContact OE2-CE1 3.35Å; S256-F259 WeakPolarHBondContact O-CD2 2.88Å; S256-F259 WeakPolarHBondContact O-CE2 3.34Å; T257-F259 VanDerWaalsContact C-N 3.25Å; T257-F259 PolarHBondContact O-N 3.28Å; F259-Y261 PolarHBondContact O-N 2.78Å
260	E	44.2	Very low	44.2	Very low	128 Å²	128	98.6 Å²	98.6	60%	0.598	50%	0.504	S	S	*	.			trans	-72.1	111.8	162.4	-78.3	178.9	-170.2	0	0	107.5	C283	E260-C283 WeakPolarHBondContact CB-SG 2.9Å; E260-C283 PolarHBondContact OE2-SG 2.56Å
261	Y	47.7	Very low	44.8	Very low	118 Å²	118	96.1 Å²	96.1	46%	0.463	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.6	-178.1	178.6	-100.8	0	0	0	108.6	L245 F259 E263	L245-Y261 WeakPolarHBondContact O-CA 2.91Å; F259-Y261 PolarHBondContact O-N 2.78Å; Y261-E263 HydrophobicContact CD1-CB 4.31Å; Y261-E263 HydrophobicContact CE1-CB 3.47Å; Y261-E263 VanDerWaalsContact CE1-CB 3.47Å; Y261-E263 HydrophobicContact CE1-CG 4.31Å; Y261-E263 VanDerWaalsContact CE1-OE2 3.24Å; Y261-E263 WeakPolarHBondContact CE1-OE2 3.45Å; Y261-E263 PolarHBondContact OH-OE2 3.28Å
262	E	47.7	Very low	45.5	Very low	62 Å²	62	94.5 Å²	94.5	29%	0.29	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.4	170.9	-165.6	-174.8	157.8	0	0	108.3	S244 L245 R264 F280	S244-E262 CarbonylContact C-O 3.35Å; S244-E262 WeakPolarHBondContact CA-O 3.06Å; L245-E262 PolarHBondContact N-O 3.41Å; L245-E262 PolarHBondContact O-N 3.18Å; E262-R264 IonicContact OE1-CZ 3.16Å; E262-R264 IonicContact OE1-NE 2.84Å; E262-R264 PolarHBondContact OE1-NE 2.86Å; E262-R264 IonicContact OE1-NH2 2.68Å; E262-R264 PolarHBondContact OE1-NH2 2.8Å; E262-F280 HydrophobicContact CB-CD1 3.76Å; E262-F280 HydrophobicContact CB-CE1 3.91Å; E262-F280 HydrophobicContact CG-CD1 3.84Å; E262-F280 HydrophobicContact CG-CE1 3.9Å; E262-F280 VanDerWaalsContact O-CE1 3.32Å; E262-F280 WeakPolarHBondContact O-CE1 3.29Å; E262-F280 WeakPolarHBondContact OE2-CD1 3.45Å
263	E	54.7	Low	46.1	Very low	84 Å²	84	92.4 Å²	92.4	39%	0.393	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137	177.1	-173.3	-175.7	169	0	0	110.4	Y242 V243 Y261	Y242-E263 WeakPolarHBondContact CB-OE1 3.37Å; Y242-E263 WeakPolarHBondContact CD1-OE1 3.44Å; V243-E263 CarbonylContact O-C 3.5Å; V243-E263 VanDerWaalsContact O-CA 3.29Å; V243-E263 WeakPolarHBondContact O-CA 3.49Å; Y261-E263 HydrophobicContact CD1-CB 4.31Å; Y261-E263 HydrophobicContact CE1-CB 3.47Å; Y261-E263 VanDerWaalsContact CE1-CB 3.47Å; Y261-E263 HydrophobicContact CE1-CG 4.31Å; Y261-E263 VanDerWaalsContact CE1-OE2 3.24Å; Y261-E263 WeakPolarHBondContact CE1-OE2 3.45Å; Y261-E263 PolarHBondContact OH-OE2 3.28Å
264	R	58	Low	46.6	Very low	87 Å²	87	86.9 Å²	86.9	33%	0.328	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130	176.7	-63.2	-172.7	-173.6	177.3	6.6	109.8	V243 E262 F266 T279 F280	V243-R264 PolarHBondContact N-O 3.02Å; V243-R264 PolarHBondContact O-N 3.03Å; E262-R264 IonicContact OE1-CZ 3.16Å; E262-R264 IonicContact OE1-NE 2.84Å; E262-R264 PolarHBondContact OE1-NE 2.86Å; E262-R264 IonicContact OE1-NH2 2.68Å; E262-R264 PolarHBondContact OE1-NH2 2.8Å; R264-F266 HydrophobicContact CB-CD2 4.43Å; R264-F266 HydrophobicContact CB-CE2 3.54Å; R264-F266 HydrophobicContact CB-CZ 3.88Å; R264-F266 WeakPolarHBondContact O-CD2 3.44Å; R264-T279 VanDerWaalsContact CZ-O 3.27Å; R264-T279 PolarHBondContact NH1-O 3.2Å; R264-T279 PolarHBondContact NH2-O 2.81Å; R264-F280 HydrophobicContact CG-CE1 4.28Å
265	T	47.7	Very low	47.5	Very low	77 Å²	77	79.3 Å²	79.3	47%	0.472	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.5	178.4	-46.2	0	0	0	0	110.8	N240 V241 Y242	N240-T265 HydrophobicContact CB-CG2 3.57Å; V241-T265 CarbonylContact O-C 3.59Å; V241-T265 WeakPolarHBondContact O-CA 3.47Å; Y242-T265 HydrophobicContact CD1-CG2 3.8Å; Y242-T265 WeakPolarHBondContact CD1-OG1 3.45Å; Y242-T265 HydrophobicContact CE1-CG2 3.54Å
266	F	57.6	Low	48.2	Very low	51 Å²	51	76.8 Å²	76.8	22%	0.224	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.7	-179.3	-61.2	-93.8	0	0	0	110.9	Y231 N240 V241 V243 R264 V278	Y231-F266 AromaticContact CE1-CD2 3.98Å; Y231-F266 HydrophobicContact CE1-CD2 3.98Å; Y231-F266 AromaticContact CE1-CE2 3.97Å; Y231-F266 HydrophobicContact CE1-CE2 3.97Å; Y231-F266 HydrophobicContact CE1-CG 4.38Å; Y231-F266 HydrophobicContact CE1-CZ 4.38Å; Y231-F266 AromaticContact CZ-CD2 3.78Å; Y231-F266 AromaticContact CZ-CG 3.96Å; Y231-F266 WeakPolarHBondContact OH-CB 3.28Å; Y231-F266 WeakPolarHBondContact OH-CD1 3.42Å; Y231-F266 WeakPolarHBondContact OH-CD2 3.31Å; Y231-F266 WeakPolarHBondContact OH-CG 3.31Å; N240-F266 WeakPolarHBondContact CA-O 3.15Å; V241-F266 PolarHBondContact N-O 3.09Å; V241-F266 PolarHBondContact O-N 2.74Å; V243-F266 HydrophobicContact CB-CD2 4.43Å; V243-F266 HydrophobicContact CB-CE2 4.06Å; V243-F266 HydrophobicContact CG2-CD2 3.91Å; V243-F266 HydrophobicContact CG2-CE2 3.93Å; R264-F266 HydrophobicContact CB-CD2 4.43Å; R264-F266 HydrophobicContact CB-CE2 3.54Å; R264-F266 HydrophobicContact CB-CZ 3.88Å; R264-F266 WeakPolarHBondContact O-CD2 3.44Å; F266-V278 HydrophobicContact CE2-CG2 3.81Å; F266-V278 HydrophobicContact CZ-CG2 3.55Å
267	Q	55.2	Low	48.9	Very low	153 Å²	153	79 Å²	79	72%	0.715	41%	0.41	S	S	*	.			trans	-99.7	140.7	178.8	-79.2	179.9	-4.9	0	0	110.9	N240	N240-Q267 WeakPolarHBondContact OD1-CG 3.27Å
268	P	55.1	Low	49.6	Very low	20 Å²	20	72.5 Å²	72.5	13%	0.13	37%	0.37	C	S	.	.			trans	-66.7	147.5	175.1	24.6	-31.6	0	0	0	111.2	Q235 K239 V273 A274	Q235-P268 HydrophobicContact CB-CB 4.09Å; Q235-P268 HydrophobicContact CB-CG 4.08Å; K239-P268 WeakPolarHBondContact O-CD 3.32Å; K239-P268 VanDerWaalsContact O-CG 3.22Å; K239-P268 WeakPolarHBondContact O-CG 3.49Å; P268-V273 CarbonylContact C-O 3.52Å; P268-V273 VanDerWaalsContact CA-O 3.29Å; P268-V273 WeakPolarHBondContact CA-O 3.02Å; P268-A274 HydrophobicContact CB-CB 4.22Å
269	D	56.4	Low	50.5	Low	78 Å²	78	69.1 Å²	69.1	42%	0.417	35%	0.354	S	S	.	.			trans	-73.2	-177	174.3	71.1	14.6	0	0	0	112.6	T271 S272 V273	D269-T271 PolarHBondContact O-N 3.43Å; D269-T271 VanDerWaalsContact OD1-CA 3.29Å; D269-T271 WeakPolarHBondContact OD1-CA 3.34Å; D269-T271 WeakPolarHBondContact OD1-CB 3.2Å; D269-T271 PolarHBondContact OD1-N 2.83Å; D269-T271 PolarHBondContact OD1-OG1 2.71Å; D269-T271 PolarHBondContact OD2-OG1 3.28Å; D269-S272 PolarHBondContact O-N 3.11Å; D269-S272 PolarHBondContact OD1-N 2.84Å; D269-V273 PolarHBondContact N-O 3.3Å; D269-V273 PolarHBondContact OD1-N 3.46Å
270	E	56.7	Low	51.1	Low	183 Å²	183	66.9 Å²	66.9	86%	0.855	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.6	179	-62.4	-171.4	173.4	0	0	113.6
271	T	54.3	Low	51.4	Low	100 Å²	100	66.8 Å²	66.8	61%	0.613	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	9.6	178.8	66.3	0	0	0	0	113.9	D269	D269-T271 PolarHBondContact O-N 3.43Å; D269-T271 VanDerWaalsContact OD1-CA 3.29Å; D269-T271 WeakPolarHBondContact OD1-CA 3.34Å; D269-T271 WeakPolarHBondContact OD1-CB 3.2Å; D269-T271 PolarHBondContact OD1-N 2.83Å; D269-T271 PolarHBondContact OD1-OG1 2.71Å; D269-T271 PolarHBondContact OD2-OG1 3.28Å
272	S	50.6	Low	51.4	Low	44 Å²	44	61.3 Å²	61.3	31%	0.308	32%	0.322	S	S	.	.	S	Bend	trans	66.5	38.5	-179	-56.1	0	0	0	0	112.1	Q235 D269	Q235-S272 PolarHBondContact N-O 3.42Å; Q235-S272 CarbonylContact O-C 3.52Å; Q235-S272 WeakPolarHBondContact O-CA 3.4Å; Q235-S272 WeakPolarHBondContact O-CB 3.35Å; D269-S272 PolarHBondContact O-N 3.11Å; D269-S272 PolarHBondContact OD1-N 2.84Å
273	V	47.6	Very low	51.6	Low	12 Å²	12	58.7 Å²	58.7	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.7	-178.1	170.9	0	0	0	0	109.4	Y232 P268 D269	Y232-V273 HydrophobicContact CD2-CG1 3.74Å; Y232-V273 HydrophobicContact CE1-CG1 4.09Å; Y232-V273 HydrophobicContact CE2-CB 4.33Å; Y232-V273 HydrophobicContact CE2-CG1 3.04Å; Y232-V273 HydrophobicContact CE2-CG2 4.44Å; Y232-V273 WeakPolarHBondContact OH-CG1 3.03Å; Y232-V273 WeakPolarHBondContact OH-CG2 3.3Å; P268-V273 CarbonylContact C-O 3.52Å; P268-V273 VanDerWaalsContact CA-O 3.29Å; P268-V273 WeakPolarHBondContact CA-O 3.02Å; D269-V273 PolarHBondContact N-O 3.3Å; D269-V273 PolarHBondContact OD1-N 3.46Å
274	A	44.2	Very low	51.2	Low	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.2	169.8	0	0	0	0	0	108.9	A233 Q235 V241 P268	A233-A274 PolarHBondContact N-O 3.27Å; A233-A274 PolarHBondContact O-N 3.43Å; Q235-A274 HydrophobicContact CG-CB 4.34Å; V241-A274 HydrophobicContact CB-CB 4.2Å; V241-A274 HydrophobicContact CG2-CB 3.36Å; P268-A274 HydrophobicContact CB-CB 4.22Å
275	S	51	Low	50.6	Low	72 Å²	72	62.9 Å²	62.9	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.3	174.9	63.1	0	0	0	0	110.2	Y231	Y231-S275 VanDerWaalsContact O-CA 3.31Å; Y231-S275 WeakPolarHBondContact O-CA 3.32Å; Y231-S275 WeakPolarHBondContact O-CB 3.09Å
276	G	46.7	Very low	50.6	Low	16 Å²	16	59.8 Å²	59.8	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	151.3	-177.4	0	0	0	0	0	112.3	S230 Y231	S230-G276 WeakPolarHBondContact CA-O 3.28Å; Y231-G276 WeakPolarHBondContact CD1-O 3.49Å; Y231-G276 PolarHBondContact N-O 3.25Å; Y231-G276 PolarHBondContact O-N 3.41Å
277	D	46.8	Very low	50.1	Low	77 Å²	77	62.1 Å²	62.1	41%	0.412	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.7	168.7	-167.2	-14	0	0	0	106.6	R228	R228-D277 WeakPolarHBondContact CG-OD1 3.36Å; R228-D277 IonicContact CZ-OD1 3.77Å; R228-D277 IonicContact CZ-OD2 3.22Å; R228-D277 VanDerWaalsContact CZ-OD2 3.22Å; R228-D277 VanDerWaalsContact NE-CG 3.27Å; R228-D277 IonicContact NE-OD1 2.82Å; R228-D277 PolarHBondContact NE-OD1 3.48Å; R228-D277 IonicContact NE-OD2 3.07Å; R228-D277 PolarHBondContact NE-OD2 2.79Å; R228-D277 IonicContact NH2-OD1 3.89Å; R228-D277 IonicContact NH2-OD2 2.63Å; R228-D277 PolarHBondContact NH2-OD2 2.87Å
278	V	48.9	Very low	49.7	Very low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121	-168.1	-173.1	0	0	0	0	108.6	R228 F229 Y231 V243 F266 F280	R228-V278 CarbonylContact C-O 3.56Å; R228-V278 VanDerWaalsContact CA-O 3.29Å; R228-V278 WeakPolarHBondContact CA-O 3.34Å; F229-V278 HydrophobicContact CD1-CB 4.33Å; F229-V278 HydrophobicContact CE1-CB 3.81Å; F229-V278 HydrophobicContact CE1-CG1 4.04Å; F229-V278 HydrophobicContact CZ-CB 4.04Å; F229-V278 HydrophobicContact CZ-CG1 4.38Å; F229-V278 PolarHBondContact N-O 3.39Å; F229-V278 PolarHBondContact O-N 3.06Å; Y231-V278 HydrophobicContact CD1-CG2 3.92Å; Y231-V278 HydrophobicContact CE1-CG2 3.72Å; V243-V278 HydrophobicContact CG1-CG1 4.36Å; V243-V278 HydrophobicContact CG1-CG2 4.22Å; F266-V278 HydrophobicContact CE2-CG2 3.81Å; F266-V278 HydrophobicContact CZ-CG2 3.55Å; V278-F280 HydrophobicContact CG1-CD1 4.21Å; V278-F280 HydrophobicContact CG1-CD2 3.97Å; V278-F280 HydrophobicContact CG1-CE1 3.87Å; V278-F280 HydrophobicContact CG1-CE2 3.63Å; V278-F280 HydrophobicContact CG1-CG 4.26Å; V278-F280 HydrophobicContact CG1-CZ 3.56Å
279	T	49	Very low	49.6	Very low	43 Å²	43	55.4 Å²	55.4	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.7	169.6	-54.9	0	0	0	0	108.3	V227 R228 R264	V227-T279 CarbonylContact O-C 3.46Å; V227-T279 WeakPolarHBondContact O-CA 3.39Å; R228-T279 HydrophobicContact CB-CG2 4.42Å; R228-T279 WeakPolarHBondContact CG-OG1 3.27Å; R264-T279 VanDerWaalsContact CZ-O 3.27Å; R264-T279 PolarHBondContact NH1-O 3.2Å; R264-T279 PolarHBondContact NH2-O 2.81Å
280	F	52.4	Low	49.5	Very low	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144.1	169.2	-67.8	-60.3	0	0	0	110	S226 V227 F229 V243 L245 E262 R264 V278	S226-F280 CarbonylContact C-O 3.5Å; S226-F280 WeakPolarHBondContact CA-O 3.41Å; S226-F280 WeakPolarHBondContact CB-O 3.13Å; V227-F280 PolarHBondContact N-O 2.86Å; V227-F280 PolarHBondContact O-N 2.78Å; F229-F280 HydrophobicContact CD1-CD2 4.41Å; F229-F280 AromaticContact CE1-CD2 3.5Å; F229-F280 HydrophobicContact CE1-CD2 3.5Å; F229-F280 AromaticContact CE1-CE2 3.39Å; F229-F280 HydrophobicContact CE1-CE2 3.39Å; F229-F280 HydrophobicContact CZ-CD2 4.31Å; F229-F280 AromaticContact CZ-CE2 3.73Å; F229-F280 HydrophobicContact CZ-CE2 3.73Å; V243-F280 HydrophobicContact CG1-CE2 3.92Å; V243-F280 HydrophobicContact CG1-CZ 3.9Å; V243-F280 WeakPolarHBondContact O-CZ 3.18Å; L245-F280 HydrophobicContact CB-CB 3.86Å; L245-F280 HydrophobicContact CB-CD1 3.98Å; L245-F280 HydrophobicContact CB-CD2 3.55Å; L245-F280 HydrophobicContact CB-CE1 4.37Å; L245-F280 HydrophobicContact CB-CE2 3.95Å; L245-F280 HydrophobicContact CB-CG 3.56Å; L245-F280 HydrophobicContact CB-CZ 4.36Å; L245-F280 HydrophobicContact CD1-CD2 4.44Å; L245-F280 HydrophobicContact CD2-CB 3.52Å; L245-F280 HydrophobicContact CD2-CG 4.22Å; L245-F280 HydrophobicContact CG-CB 4.19Å; L245-F280 HydrophobicContact CG-CD2 4.4Å; L245-F280 HydrophobicContact CG-CG 4.39Å; E262-F280 HydrophobicContact CB-CD1 3.76Å; E262-F280 HydrophobicContact CB-CE1 3.91Å; E262-F280 HydrophobicContact CG-CD1 3.84Å; E262-F280 HydrophobicContact CG-CE1 3.9Å; E262-F280 VanDerWaalsContact O-CE1 3.32Å; E262-F280 WeakPolarHBondContact O-CE1 3.29Å; E262-F280 WeakPolarHBondContact OE2-CD1 3.45Å; R264-F280 HydrophobicContact CG-CE1 4.28Å; V278-F280 HydrophobicContact CG1-CD1 4.21Å; V278-F280 HydrophobicContact CG1-CD2 3.97Å; V278-F280 HydrophobicContact CG1-CE1 3.87Å; V278-F280 HydrophobicContact CG1-CE2 3.63Å; V278-F280 HydrophobicContact CG1-CG 4.26Å; V278-F280 HydrophobicContact CG1-CZ 3.56Å
281	H	51.2	Low	49.3	Very low	125 Å²	125	46.4 Å²	46.4	58%	0.579	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-77.7	128.3	168.7	-67.9	-72.9	0	0	0	109.2	D225 L245	D225-H281 WeakPolarHBondContact O-CA 3.14Å; D225-H281 PolarHBondContact O-ND1 3.46Å; L245-H281 VanDerWaalsContact CD2-O 3.3Å; L245-H281 WeakPolarHBondContact CD2-O 3.32Å
282	I	48.9	Very low	49.1	Very low	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-80.3	147.6	179.5	-53.1	164.5	0	0	0	107.7	V223 T224 V227 F284 F289 P307	V223-I282 HydrophobicContact CG1-CD1 3.65Å; V223-I282 WeakPolarHBondContact O-CD1 3.44Å; T224-I282 CarbonylContact O-C 3.39Å; T224-I282 WeakPolarHBondContact O-CB 3.26Å; V227-I282 HydrophobicContact CB-CD1 4.01Å; V227-I282 HydrophobicContact CB-CG1 3.83Å; V227-I282 HydrophobicContact CG2-CD1 3.25Å; V227-I282 HydrophobicContact CG2-CG1 3.54Å; I282-F284 PolarHBondContact O-N 2.83Å; I282-F289 HydrophobicContact CG2-CD1 4.38Å; I282-P307 HydrophobicContact CG2-CB 4.46Å; I282-P307 HydrophobicContact CG2-CG 4.08Å
283	C	51.2	Low	49.1	Very low	6 Å²	6	41 Å²	41	4%	0.041	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-82	116.6	-178.9	-41.6	0	0	0	0	108.9	C247 E260 D285 S286	C247-C283 HydrophobicContact CB-CB 3.45Å; C247-C283 VanDerWaalsContact CB-CB 3.45Å; C247-C283 WeakPolarHBondContact CB-SG 2.81Å; C247-C283 WeakPolarHBondContact SG-CB 3.49Å; C247-C283 PolarHBondContact SG-N 2.78Å; C247-C283 VanDerWaalsContact SG-N 3.4Å; C247-C283 CovalentContact SG-SG 2.02Å; C247-C283 PolarHBondContact SG-SG 2.76Å; E260-C283 WeakPolarHBondContact CB-SG 2.9Å; E260-C283 PolarHBondContact OE2-SG 2.56Å; C283-D285 PolarHBondContact O-N 2.81Å; C283-S286 PolarHBondContact O-N 3.03Å; C283-S286 PolarHBondContact O-OG 2.79Å
284	F	45.2	Very low	49.2	Very low	140 Å²	140	42.1 Å²	42.1	61%	0.614	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-27.4	-175.6	-78.5	-88.3	0	0	0	114.2	T224 D225 I282	T224-F284 VanDerWaalsContact CB-CD1 3.42Å; T224-F284 VanDerWaalsContact CB-CE1 3.44Å; T224-F284 HydrophobicContact CG2-CD1 3.88Å; T224-F284 HydrophobicContact CG2-CE1 4.31Å; T224-F284 WeakPolarHBondContact OG1-CE1 3.43Å; D225-F284 VanDerWaalsContact OD1-CZ 3.3Å; D225-F284 WeakPolarHBondContact OD1-CZ 3.43Å; I282-F284 PolarHBondContact O-N 2.83Å
285	D	46.9	Very low	49.5	Very low	120 Å²	120	42.5 Å²	42.5	64%	0.642	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.9	16.7	-174.9	-55.6	-33.3	0	0	0	113.9	K249 C283	K249-D285 IonicContact NZ-OD2 3.27Å; C283-D285 PolarHBondContact O-N 2.81Å
286	S	47	Very low	49.7	Very low	12 Å²	12	42 Å²	42	8%	0.084	21%	0.212	C	C	.	.			trans	-89.2	141.7	179.8	59.3	0	0	0	0	112.4	C283 P307	C283-S286 PolarHBondContact O-N 3.03Å; C283-S286 PolarHBondContact O-OG 2.79Å; S286-P307 WeakPolarHBondContact O-CG 3.49Å
287	E	46.4	Very low	50	Low	100 Å²	100	44.4 Å²	44.4	47%	0.467	22%	0.219	S	C	.	.	S	Bend	trans	-84	-31.6	172.3	-70.3	-171.7	152.5	0	0	111.1	L248 R250 P307	L248-E287 PolarHBondContact O-N 3.25Å; R250-E287 WeakPolarHBondContact CA-OE2 3.14Å; R250-E287 VanDerWaalsContact CB-CD 3.44Å; R250-E287 HydrophobicContact CB-CG 4.31Å; R250-E287 WeakPolarHBondContact CB-OE1 3.13Å; R250-E287 WeakPolarHBondContact CB-OE2 3.24Å; R250-E287 VanDerWaalsContact CD-OE1 3.24Å; R250-E287 WeakPolarHBondContact CD-OE1 3.37Å; R250-E287 VanDerWaalsContact CG-OE1 3.31Å; R250-E287 WeakPolarHBondContact CG-OE1 3.39Å; E287-P307 VanDerWaalsContact O-CD 3.26Å; E287-P307 WeakPolarHBondContact O-CD 3.31Å
288	L	48.1	Very low	50.1	Low	30 Å²	30	43.8 Å²	43.8	16%	0.157	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148	179.3	-166.3	75	0	0	0	109	L248 Y304 G305 I306	L248-L288 HydrophobicContact CB-CB 4.38Å; L248-L288 HydrophobicContact CD1-CB 4.46Å; L248-L288 HydrophobicContact CD1-CD2 4Å; L248-L288 PolarHBondContact N-O 3.08Å; L248-L288 PolarHBondContact O-N 2.98Å; L288-Y304 HydrophobicContact CD2-CD1 3.52Å; L288-Y304 HydrophobicContact CD2-CE1 4.18Å; L288-Y304 HydrophobicContact CD2-CG 4.31Å; L288-Y304 HydrophobicContact CG-CD1 4.21Å; L288-G305 CarbonylContact C-O 3.59Å; L288-G305 WeakPolarHBondContact CA-O 2.93Å; L288-G305 WeakPolarHBondContact CD1-O 3.41Å; L288-I306 HydrophobicContact CD1-CG1 3.64Å
289	F	52.4	Low	49.8	Very low	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.8	163.4	66.3	-92.4	0	0	0	110.2	V227 L245 T246 I282 I291 Y304 G305 P307 F385	V227-F289 HydrophobicContact CG2-CE1 4.45Å; V227-F289 HydrophobicContact CG2-CE2 4.05Å; V227-F289 HydrophobicContact CG2-CZ 3.9Å; L245-F289 HydrophobicContact CD1-CB 3.95Å; L245-F289 HydrophobicContact CD1-CD2 3.78Å; L245-F289 HydrophobicContact CD1-CG 4.21Å; T246-F289 CarbonylContact O-C 3.56Å; T246-F289 VanDerWaalsContact O-CA 3.31Å; T246-F289 WeakPolarHBondContact O-CA 3.22Å; I282-F289 HydrophobicContact CG2-CD1 4.38Å; F289-I291 HydrophobicContact CD2-CG1 4.15Å; F289-I291 HydrophobicContact CE2-CD1 4.22Å; F289-I291 HydrophobicContact CE2-CG1 4.22Å; F289-Y304 CarbonylContact O-C 3.56Å; F289-Y304 WeakPolarHBondContact O-CA 3.17Å; F289-G305 WeakPolarHBondContact CD1-O 3.46Å; F289-G305 WeakPolarHBondContact CE1-O 3.3Å; F289-G305 PolarHBondContact N-O 2.58Å; F289-G305 PolarHBondContact O-N 2.8Å; F289-P307 HydrophobicContact CD1-CG 3.94Å; F289-F385 HydrophobicContact CZ-CE1 4.3Å; F289-F385 HydrophobicContact CZ-CZ 4.18Å
290	R	54.1	Low	49.5	Very low	66 Å²	66	48.2 Å²	48.2	25%	0.249	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.7	175.3	-177.2	-169.2	67.8	-178.3	-2.3	108.7	L245 T246 Y302 L303 Y304	L245-R290 CarbonylContact C-O 3.44Å; L245-R290 WeakPolarHBondContact CA-O 3.36Å; T246-R290 PolarHBondContact N-O 2.93Å; T246-R290 PolarHBondContact O-N 2.94Å; T246-R290 PolarHBondContact OG1-NH2 3.49Å; R290-Y302 HydrophobicContact CG-CD1 4.19Å; R290-L303 CarbonylContact C-O 3.53Å; R290-L303 WeakPolarHBondContact CA-O 3.3Å; R290-Y304 HydrophobicContact CB-CD1 3.73Å; R290-Y304 HydrophobicContact CB-CE1 3.62Å; R290-Y304 WeakPolarHBondContact CD-OH 3.36Å; R290-Y304 HydrophobicContact CG-CD1 3.88Å; R290-Y304 HydrophobicContact CG-CE1 3.52Å; R290-Y304 HydrophobicContact CG-CE2 4.47Å
291	I	52	Low	49.1	Very low	6 Å²	6	54 Å²	54	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.1	167.6	-56.7	176.9	0	0	0	107.6	L203 V227 F229 S244 L245 F289 Y302 L303	L203-I291 HydrophobicContact CD2-CD1 4.34Å; V227-I291 HydrophobicContact CG1-CD1 3.68Å; F229-I291 HydrophobicContact CD1-CD1 3.86Å; F229-I291 HydrophobicContact CD1-CG2 4.26Å; F229-I291 HydrophobicContact CD2-CG2 4.28Å; F229-I291 HydrophobicContact CE1-CD1 4.12Å; F229-I291 HydrophobicContact CE1-CG2 3.62Å; F229-I291 HydrophobicContact CE2-CG2 3.62Å; F229-I291 HydrophobicContact CG-CD1 4.19Å; F229-I291 HydrophobicContact CZ-CG2 3.2Å; S244-I291 CarbonylContact O-C 3.48Å; S244-I291 VanDerWaalsContact O-CA 3.32Å; S244-I291 WeakPolarHBondContact O-CA 3.29Å; L245-I291 HydrophobicContact CD1-CG1 3.86Å; F289-I291 HydrophobicContact CD2-CG1 4.15Å; F289-I291 HydrophobicContact CE2-CD1 4.22Å; F289-I291 HydrophobicContact CE2-CG1 4.22Å; I291-Y302 CarbonylContact O-C 3.53Å; I291-Y302 VanDerWaalsContact O-CA 3.27Å; I291-Y302 WeakPolarHBondContact O-CA 3.28Å; I291-L303 HydrophobicContact CB-CB 4.36Å; I291-L303 HydrophobicContact CD1-CD2 4.29Å; I291-L303 PolarHBondContact N-O 2.78Å; I291-L303 PolarHBondContact O-N 3.48Å
292	G	51.2	Low	48.8	Very low	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.1	173.5	0	0	0	0	0	111.8	V243 S244 Y301	V243-G292 CarbonylContact C-O 3.57Å; V243-G292 WeakPolarHBondContact CA-O 3.43Å; S244-G292 PolarHBondContact N-O 2.71Å; S244-G292 PolarHBondContact O-N 2.99Å; G292-Y301 CarbonylContact C-O 3.43Å; G292-Y301 VanDerWaalsContact CA-O 3.32Å; G292-Y301 WeakPolarHBondContact CA-O 3.23Å
293	I	49.6	Very low	48.7	Very low	30 Å²	30	52.8 Å²	52.8	15%	0.154	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	108.1	166.5	-57.2	168.6	0	0	0	106.8	F229 Y231 V241 Y242 V243 S300 Y301	F229-I293 HydrophobicContact CE2-CD1 4.36Å; Y231-I293 HydrophobicContact CD2-CD1 4.5Å; Y231-I293 HydrophobicContact CD2-CG2 4.44Å; Y231-I293 HydrophobicContact CG-CD1 4.16Å; V241-I293 HydrophobicContact CG1-CG2 3.47Å; V241-I293 VanDerWaalsContact CG1-CG2 3.47Å; Y242-I293 CarbonylContact O-C 3.51Å; Y242-I293 VanDerWaalsContact O-CA 3.27Å; Y242-I293 WeakPolarHBondContact O-CA 3.29Å; V243-I293 HydrophobicContact CG1-CG1 4.39Å; V243-I293 HydrophobicContact CG2-CG1 4.4Å; V243-I293 HydrophobicContact CG2-CG2 4.39Å; I293-S300 CarbonylContact O-C 3.59Å; I293-S300 VanDerWaalsContact O-CA 3.28Å; I293-S300 WeakPolarHBondContact O-CA 3.47Å; I293-Y301 HydrophobicContact CB-CD2 4.23Å; I293-Y301 HydrophobicContact CG2-CD2 4.26Å; I293-Y301 PolarHBondContact N-O 2.96Å; I293-Y301 WeakPolarHBondContact O-CD2 3.36Å; I293-Y301 PolarHBondContact O-N 3.42Å
294	D	51.3	Low	48.5	Very low	36 Å²	36	55.7 Å²	55.7	19%	0.193	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	157.4	177.5	-52.4	-70.6	0	0	0	110	V241 Y242 E299 S300 Y302	V241-D294 CarbonylContact C-O 3.53Å; V241-D294 WeakPolarHBondContact CA-O 3.44Å; V241-D294 WeakPolarHBondContact CG1-O 2.83Å; Y242-D294 PolarHBondContact N-O 2.82Å; Y242-D294 PolarHBondContact O-N 2.75Å; D294-E299 CarbonylContact C-O 3.45Å; D294-E299 VanDerWaalsContact CA-O 3.31Å; D294-E299 WeakPolarHBondContact CA-O 3.49Å; D294-S300 WeakPolarHBondContact OD1-CB 3.33Å; D294-S300 PolarHBondContact OD1-OG 3.34Å; D294-Y302 PolarHBondContact OD1-OH 2.87Å
295	T	49.7	Very low	48.6	Very low	9 Å²	9	49.2 Å²	49.2	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.2	-177.6	68.8	0	0	0	0	110.5	Q235 N240 V241 Q297 G298 E299	Q235-T295 VanDerWaalsContact NE2-CG2 3.28Å; N240-T295 WeakPolarHBondContact O-CA 3.03Å; V241-T295 HydrophobicContact CG1-CG2 4.49Å; V241-T295 HydrophobicContact CG2-CG2 4.34Å; T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 PolarHBondContact OG1-N 2.99Å; T295-G298 PolarHBondContact O-N 3.3Å; T295-E299 HydrophobicContact CG2-CB 4.08Å; T295-E299 PolarHBondContact N-O 3.48Å; T295-E299 WeakPolarHBondContact OG1-CA 3.26Å; T295-E299 VanDerWaalsContact OG1-CB 3.25Å; T295-E299 WeakPolarHBondContact OG1-CB 3.26Å; T295-E299 PolarHBondContact OG1-N 3.1Å; T295-E299 PolarHBondContact OG1-O 3.4Å; T295-E299 VanDerWaalsContact OG1-O 3.08Å
296	D	55.9	Low	48.7	Very low	60 Å²	60	47.1 Å²	47.1	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.3	173.6	-85.1	-23.6	0	0	0	113.1	K239 N240 Y242 G298	K239-D296 HydrophobicContact CB-CB 3.99Å; K239-D296 HydrophobicContact CD-CB 3.65Å; K239-D296 HydrophobicContact CG-CB 4.44Å; N240-D296 WeakPolarHBondContact CB-OD2 3.28Å; N240-D296 PolarHBondContact N-OD2 2.85Å; N240-D296 PolarHBondContact ND2-OD2 2.87Å; N240-D296 PolarHBondContact O-N 3.3Å; Y242-D296 WeakPolarHBondContact CE2-OD1 3.44Å; Y242-D296 VanDerWaalsContact CZ-OD1 3.27Å; Y242-D296 PolarHBondContact OH-OD1 2.8Å; D296-G298 VanDerWaalsContact C-N 3.33Å
297	Q	52.4	Low	48.7	Very low	68 Å²	68	47.8 Å²	47.8	32%	0.318	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.9	176	-59.1	-170.4	-75.2	0	0	112.7	E236 K239 T295	E236-Q297 VanDerWaalsContact CD-NE2 3.35Å; K239-Q297 HydrophobicContact CB-CG 4.33Å; K239-Q297 HydrophobicContact CD-CG 4.46Å; K239-Q297 HydrophobicContact CG-CG 4.17Å; T295-Q297 PolarHBondContact O-N 3.49Å; T295-Q297 PolarHBondContact OG1-N 2.99Å
298	G	49.4	Very low	48.7	Very low	63 Å²	63	44.4 Å²	44.4	65%	0.649	23%	0.229	S	C	*	.	S	Bend	trans	88	9.4	-178.7	0	0	0	0	0	114	T295 D296	T295-G298 PolarHBondContact O-N 3.3Å; D296-G298 VanDerWaalsContact C-N 3.33Å
299	E	41.7	Very low	48.5	Very low	80 Å²	80	46 Å²	46	37%	0.374	24%	0.24	S	C	.	.			trans	-80.2	134.7	170.1	-49.2	-177	164.7	0	0	110	D294 T295 Y301	D294-E299 CarbonylContact C-O 3.45Å; D294-E299 VanDerWaalsContact CA-O 3.31Å; D294-E299 WeakPolarHBondContact CA-O 3.49Å; T295-E299 HydrophobicContact CG2-CB 4.08Å; T295-E299 PolarHBondContact N-O 3.48Å; T295-E299 WeakPolarHBondContact OG1-CA 3.26Å; T295-E299 VanDerWaalsContact OG1-CB 3.25Å; T295-E299 WeakPolarHBondContact OG1-CB 3.26Å; T295-E299 PolarHBondContact OG1-N 3.1Å; T295-E299 PolarHBondContact OG1-O 3.4Å; T295-E299 VanDerWaalsContact OG1-O 3.08Å; E299-Y301 HydrophobicContact CB-CE2 3.82Å; E299-Y301 PolarHBondContact OE2-OH 3Å
300	S	42.1	Very low	48.2	Very low	57 Å²	57	46.1 Å²	46.1	40%	0.399	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.7	179.9	-69.3	0	0	0	0	110.2	I293 D294 Y302	I293-S300 CarbonylContact O-C 3.59Å; I293-S300 VanDerWaalsContact O-CA 3.28Å; I293-S300 WeakPolarHBondContact O-CA 3.47Å; D294-S300 WeakPolarHBondContact OD1-CB 3.33Å; D294-S300 PolarHBondContact OD1-OG 3.34Å; S300-Y302 WeakPolarHBondContact CB-OH 3.23Å
301	Y	45.6	Very low	47.7	Very low	120 Å²	120	45.9 Å²	45.9	47%	0.471	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142	-178.3	-51.5	-88	0	0	0	109.6	G292 I293 E299	G292-Y301 CarbonylContact C-O 3.43Å; G292-Y301 VanDerWaalsContact CA-O 3.32Å; G292-Y301 WeakPolarHBondContact CA-O 3.23Å; I293-Y301 HydrophobicContact CB-CD2 4.23Å; I293-Y301 HydrophobicContact CG2-CD2 4.26Å; I293-Y301 PolarHBondContact N-O 2.96Å; I293-Y301 WeakPolarHBondContact O-CD2 3.36Å; I293-Y301 PolarHBondContact O-N 3.42Å; E299-Y301 HydrophobicContact CB-CE2 3.82Å; E299-Y301 PolarHBondContact OE2-OH 3Å
302	Y	44.2	Very low	47.4	Very low	82 Å²	82	46 Å²	46	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.2	-177.6	-54.1	-72.3	0	0	0	112.1	R290 I291 D294 S300	R290-Y302 HydrophobicContact CG-CD1 4.19Å; I291-Y302 CarbonylContact O-C 3.53Å; I291-Y302 VanDerWaalsContact O-CA 3.27Å; I291-Y302 WeakPolarHBondContact O-CA 3.28Å; D294-Y302 PolarHBondContact OD1-OH 2.87Å; S300-Y302 WeakPolarHBondContact CB-OH 3.23Å
303	L	46.3	Very low	47.2	Very low	22 Å²	22	47.1 Å²	47.1	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	169	-179.9	74.3	0	0	0	109.1	V201 L203 R290 I291	V201-L303 HydrophobicContact CB-CD2 4.4Å; V201-L303 HydrophobicContact CG1-CD2 3.8Å; V201-L303 HydrophobicContact CG2-CD2 4.47Å; L203-L303 HydrophobicContact CD1-CD2 4.19Å; R290-L303 CarbonylContact C-O 3.53Å; R290-L303 WeakPolarHBondContact CA-O 3.3Å; I291-L303 HydrophobicContact CB-CB 4.36Å; I291-L303 HydrophobicContact CD1-CD2 4.29Å; I291-L303 PolarHBondContact N-O 2.78Å; I291-L303 PolarHBondContact O-N 3.48Å
304	Y	46.8	Very low	47.1	Very low	67 Å²	67	46.7 Å²	46.7	26%	0.263	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.8	174.1	-66.3	-83.3	0	0	0	110.8	L288 F289 R290 P390	L288-Y304 HydrophobicContact CD2-CD1 3.52Å; L288-Y304 HydrophobicContact CD2-CE1 4.18Å; L288-Y304 HydrophobicContact CD2-CG 4.31Å; L288-Y304 HydrophobicContact CG-CD1 4.21Å; F289-Y304 CarbonylContact O-C 3.56Å; F289-Y304 WeakPolarHBondContact O-CA 3.17Å; R290-Y304 HydrophobicContact CB-CD1 3.73Å; R290-Y304 HydrophobicContact CB-CE1 3.62Å; R290-Y304 WeakPolarHBondContact CD-OH 3.36Å; R290-Y304 HydrophobicContact CG-CD1 3.88Å; R290-Y304 HydrophobicContact CG-CE1 3.52Å; R290-Y304 HydrophobicContact CG-CE2 4.47Å; Y304-P390 HydrophobicContact CD2-CB 4.46Å; Y304-P390 HydrophobicContact CD2-CG 4.15Å; Y304-P390 HydrophobicContact CE2-CB 4.01Å; Y304-P390 HydrophobicContact CE2-CG 3.87Å
305	G	48.5	Very low	47	Very low	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	152.8	173.8	0	0	0	0	0	111.4	L288 F289	L288-G305 CarbonylContact C-O 3.59Å; L288-G305 WeakPolarHBondContact CA-O 2.93Å; L288-G305 WeakPolarHBondContact CD1-O 3.41Å; F289-G305 WeakPolarHBondContact CD1-O 3.46Å; F289-G305 WeakPolarHBondContact CE1-O 3.3Å; F289-G305 PolarHBondContact N-O 2.58Å; F289-G305 PolarHBondContact O-N 2.8Å
306	I	47.5	Very low	47	Very low	75 Å²	75	48.8 Å²	48.8	39%	0.385	26%	0.259	S	S	.	.			trans	-102.7	128.6	178.8	-63.7	168.9	0	0	0	107.7	L288 F308	L288-I306 HydrophobicContact CD1-CG1 3.64Å; I306-F308 PolarHBondContact O-N 2.95Å
307	P	47	Very low	46.8	Very low	26 Å²	26	50.3 Å²	50.3	17%	0.169	27%	0.268	C	S	.	.			trans	-61.6	132.9	168.8	-22.4	35.7	0	0	0	110.3	I282 S286 E287 F289	I282-P307 HydrophobicContact CG2-CB 4.46Å; I282-P307 HydrophobicContact CG2-CG 4.08Å; S286-P307 WeakPolarHBondContact O-CG 3.49Å; E287-P307 VanDerWaalsContact O-CD 3.26Å; E287-P307 WeakPolarHBondContact O-CD 3.31Å; F289-P307 HydrophobicContact CD1-CG 3.94Å
308	F	47.9	Very low	46.6	Very low	29 Å²	29	49.3 Å²	49.3	13%	0.127	28%	0.276	C	S	.	.			trans	-139.3	160.5	177.4	68.3	-85.9	0	0	0	111.4	V223 I306 F310 F347 V349 V383 F385	V223-F308 WeakPolarHBondContact CB-O 3.24Å; V223-F308 HydrophobicContact CG2-CE1 4.24Å; V223-F308 HydrophobicContact CG2-CE2 4.22Å; V223-F308 HydrophobicContact CG2-CZ 4.05Å; V223-F308 PolarHBondContact N-O 2.89Å; I306-F308 PolarHBondContact O-N 2.95Å; F308-F310 HydrophobicContact CD2-CD1 4.13Å; F308-F310 AromaticContact CE2-CD1 3.63Å; F308-F310 HydrophobicContact CE2-CD1 3.63Å; F308-F310 HydrophobicContact CE2-CE1 4.33Å; F308-F347 HydrophobicContact CE1-CD2 4.46Å; F308-F347 HydrophobicContact CE1-CE2 4.43Å; F308-F347 HydrophobicContact CE2-CE2 4.35Å; F308-F347 HydrophobicContact CZ-CD2 4.3Å; F308-F347 HydrophobicContact CZ-CE2 4.21Å; F308-V349 HydrophobicContact CZ-CG2 4.45Å; F308-V383 HydrophobicContact CE1-CG1 3.71Å; F308-V383 HydrophobicContact CE1-CG2 4.39Å; F308-V383 HydrophobicContact CE2-CG2 4.44Å; F308-V383 HydrophobicContact CZ-CB 4.13Å; F308-V383 HydrophobicContact CZ-CG1 3.48Å; F308-V383 VanDerWaalsContact CZ-CG1 3.48Å; F308-V383 HydrophobicContact CZ-CG2 3.58Å; F308-F385 HydrophobicContact CE1-CE1 4.4Å; F308-F385 AromaticContact CE1-CZ 3.84Å; F308-F385 HydrophobicContact CE1-CZ 3.84Å
309	T	43.3	Very low	46.5	Very low	63 Å²	63	53.7 Å²	53.7	39%	0.387	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.4	175.5	69.4	0	0	0	0	109.6	W221 P222	W221-T309 WeakPolarHBondContact O-CA 3.5Å; P222-T309 HydrophobicContact CB-CG2 3.71Å
310	F	46.3	Very low	46.8	Very low	5 Å²	5	52.4 Å²	52.4	2%	0.022	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.2	176.9	62.2	-94.9	0	0	0	111.2	W221 V223 F308 A312 I337 I339 V381	W221-F310 WeakPolarHBondContact CA-O 3.01Å; W221-F310 HydrophobicContact CB-CD2 4.08Å; W221-F310 HydrophobicContact CB-CE1 4.31Å; W221-F310 HydrophobicContact CB-CE2 3.64Å; W221-F310 HydrophobicContact CB-CZ 3.78Å; W221-F310 HydrophobicContact CD2-CZ 4.46Å; W221-F310 HydrophobicContact CE3-CE2 4.45Å; W221-F310 HydrophobicContact CG-CE2 4.23Å; W221-F310 HydrophobicContact CG-CZ 4.05Å; W221-F310 PolarHBondContact N-O 2.8Å; W221-F310 PolarHBondContact O-N 2.92Å; V223-F310 HydrophobicContact CG2-CD1 4.15Å; V223-F310 HydrophobicContact CG2-CE1 3.68Å; F308-F310 HydrophobicContact CD2-CD1 4.13Å; F308-F310 AromaticContact CE2-CD1 3.63Å; F308-F310 HydrophobicContact CE2-CD1 3.63Å; F308-F310 HydrophobicContact CE2-CE1 4.33Å; F310-A312 HydrophobicContact CE2-CB 4.4Å; F310-I337 HydrophobicContact CB-CG2 4.15Å; F310-I337 HydrophobicContact CD2-CD1 3.86Å; F310-I337 HydrophobicContact CD2-CG1 4.04Å; F310-I337 HydrophobicContact CD2-CG2 4.36Å; F310-I337 HydrophobicContact CE2-CD1 4.08Å; F310-I337 HydrophobicContact CE2-CG1 4.46Å; F310-I339 HydrophobicContact CB-CD1 3.32Å; F310-I339 HydrophobicContact CB-CG1 3.37Å; F310-I339 HydrophobicContact CG-CD1 4.2Å; F310-V381 HydrophobicContact CE1-CG1 4.1Å; F310-V381 HydrophobicContact CE2-CB 4.06Å; F310-V381 HydrophobicContact CE2-CG1 3.88Å; F310-V381 HydrophobicContact CE2-CG2 3.64Å; F310-V381 HydrophobicContact CZ-CB 3.75Å; F310-V381 HydrophobicContact CZ-CG1 3.57Å; F310-V381 HydrophobicContact CZ-CG2 3.85Å
311	D	42.5	Very low	46.9	Very low	60 Å²	60	54.3 Å²	54.3	32%	0.321	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.4	175.8	-66.5	-22.2	0	0	0	109	K220 I337 D338	K220-D311 VanDerWaalsContact CA-OD1 3.26Å; K220-D311 WeakPolarHBondContact CA-OD1 3.09Å; K220-D311 VanDerWaalsContact CB-OD1 3.26Å; K220-D311 WeakPolarHBondContact CB-OD1 3.34Å; K220-D311 VanDerWaalsContact CG-OD1 3.28Å; K220-D311 WeakPolarHBondContact CG-OD1 3.48Å; D311-I337 CarbonylContact O-C 3.52Å; D311-I337 VanDerWaalsContact O-CA 3.27Å; D311-I337 WeakPolarHBondContact O-CA 2.98Å; D311-D338 HydrophobicContact CB-CB 4.45Å; D311-D338 PolarHBondContact O-N 3.26Å
312	A	46.4	Very low	46.8	Very low	8 Å²	8	55.9 Å²	55.9	7%	0.066	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	169.2	0	0	0	0	0	109	V219 F310	V219-A312 PolarHBondContact N-O 2.98Å; V219-A312 PolarHBondContact O-N 2.74Å; F310-A312 HydrophobicContact CE2-CB 4.4Å
313	K	47.6	Very low	46.9	Very low	24 Å²	24	58.6 Å²	58.6	10%	0.104	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	177.8	-61	178.2	178.6	-163.4	0	109.8	Y218 E315 K336 D338	Y218-K313 HydrophobicContact CD1-CD 3.97Å; Y218-K313 HydrophobicContact CD1-CG 3.92Å; Y218-K313 HydrophobicContact CD2-CB 4.48Å; Y218-K313 HydrophobicContact CD2-CD 4.4Å; Y218-K313 HydrophobicContact CD2-CG 4.03Å; Y218-K313 HydrophobicContact CE1-CD 3.51Å; Y218-K313 HydrophobicContact CE1-CG 3.97Å; Y218-K313 HydrophobicContact CE2-CB 4.33Å; Y218-K313 HydrophobicContact CE2-CD 3.88Å; Y218-K313 HydrophobicContact CE2-CG 3.96Å; Y218-K313 HydrophobicContact CG-CD 4.41Å; Y218-K313 HydrophobicContact CG-CG 3.96Å; Y218-K313 VanDerWaalsContact CZ-NZ 3.26Å; Y218-K313 WeakPolarHBondContact OH-CD 3.28Å; Y218-K313 WeakPolarHBondContact OH-CE 3.32Å; Y218-K313 PolarHBondContact OH-NZ 2.84Å; K313-E315 HydrophobicContact CB-CG 4.09Å; K313-E315 PolarHBondContact O-N 2.83Å; K313-K336 PolarHBondContact N-O 2.93Å; K313-K336 PolarHBondContact O-N 3.18Å; K313-D338 HydrophobicContact CD-CB 4.07Å; K313-D338 WeakPolarHBondContact CD-OD2 3.45Å; K313-D338 VanDerWaalsContact CE-CG 3.44Å; K313-D338 WeakPolarHBondContact CE-OD2 3.32Å; K313-D338 IonicContact NZ-OD2 3.74Å; K313-D338 PolarHBondContact NZ-OD2 3.1Å
314	M	47.3	Very low	46.5	Very low	21 Å²	21	60.1 Å²	60.1	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	86.8	169.3	-63.3	-171.6	178.1	0	0	108.6	L213 G216 V333 W353	L213-M314 HydrophobicContact CB-CE 4.12Å; L213-M314 HydrophobicContact CB-SD 4.34Å; L213-M314 HydrophobicContact CD1-CE 3.89Å; G216-M314 WeakPolarHBondContact CA-O 3.16Å; G216-M314 PolarHBondContact N-O 2.77Å; M314-V333 HydrophobicContact CB-CG1 3.93Å; M314-W353 HydrophobicContact CE-CH2 4.32Å; M314-W353 HydrophobicContact CE-CZ3 4.27Å; M314-W353 HydrophobicContact CG-CH2 4.06Å; M314-W353 HydrophobicContact SD-CH2 4.27Å
315	E	49	Very low	46.2	Very low	73 Å²	73	60 Å²	60	34%	0.341	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.7	179.9	-70.1	-175.6	169.6	0	0	109.9	Y218 K313 K334	Y218-E315 PolarHBondContact OH-OE1 2.76Å; K313-E315 HydrophobicContact CB-CG 4.09Å; K313-E315 PolarHBondContact O-N 2.83Å; E315-K334 PolarHBondContact N-O 2.92Å; E315-K334 PolarHBondContact O-N 2.81Å
316	A	49.8	Very low	45.8	Very low	17 Å²	17	65.5 Å²	65.5	14%	0.14	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	153.3	163.5	0	0	0	0	0	109.3	G318 L321 I330	A316-G318 PolarHBondContact O-N 3.04Å; A316-L321 HydrophobicContact CB-CB 4.45Å; A316-L321 HydrophobicContact CB-CD1 3.83Å; A316-I330 HydrophobicContact CB-CD1 4.07Å; A316-I330 HydrophobicContact CB-CG2 3.56Å
317	N	51.2	Low	45.6	Very low	92 Å²	92	69.2 Å²	69.2	49%	0.492	38%	0.377	S	S	.	.			trans	-56.5	128	170.8	-170.6	-16.8	0	0	0	109.2	K319 E320 L321	N317-K319 PolarHBondContact O-N 3.21Å; N317-E320 HydrophobicContact CB-CB 4.37Å; N317-E320 HydrophobicContact CB-CG 4.17Å; N317-E320 WeakPolarHBondContact O-CA 3.49Å; N317-E320 WeakPolarHBondContact O-CB 3.29Å; N317-E320 PolarHBondContact O-N 2.73Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 VanDerWaalsContact O-N 3.11Å
318	G	47.5	Very low	45.5	Very low	47 Å²	47	72.2 Å²	72.2	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-56.7	-28.4	-171.8	0	0	0	0	0	114.1	A316	A316-G318 PolarHBondContact O-N 3.04Å
319	K	48.7	Very low	45.3	Very low	154 Å²	154	74.2 Å²	74.2	67%	0.67	41%	0.407	S	S	*	.	H	α-helix	trans	-68.5	-44.3	171.2	-72.8	-174.3	178.3	-180	0	112.6	N317 L321 L322 E323	N317-K319 PolarHBondContact O-N 3.21Å; K319-L321 VanDerWaalsContact C-N 3.28Å; K319-L321 PolarHBondContact O-N 2.98Å; K319-L322 PolarHBondContact O-N 2.83Å; K319-E323 WeakPolarHBondContact O-CG 3.48Å; K319-E323 PolarHBondContact O-N 2.96Å; K319-E323 VanDerWaalsContact O-N 3.13Å
320	E	47.5	Very low	45.2	Very low	54 Å²	54	72.9 Å²	72.9	25%	0.252	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-34	179.1	-71	-174.4	-153.9	0	0	112.2	N317 E323 S324 I330 S332	N317-E320 HydrophobicContact CB-CB 4.37Å; N317-E320 HydrophobicContact CB-CG 4.17Å; N317-E320 WeakPolarHBondContact O-CA 3.49Å; N317-E320 WeakPolarHBondContact O-CB 3.29Å; N317-E320 PolarHBondContact O-N 2.73Å; E320-E323 PolarHBondContact O-N 2.93Å; E320-S324 WeakPolarHBondContact O-CB 3.13Å; E320-S324 PolarHBondContact O-N 2.9Å; E320-I330 HydrophobicContact CB-CG2 4.47Å; E320-S332 PolarHBondContact OE1-OG 3.02Å; E320-S332 PolarHBondContact OE2-N 3.2Å; E320-S332 VanDerWaalsContact OE2-N 3.07Å; E320-S332 PolarHBondContact OE2-OG 2.62Å
321	L	44.1	Very low	45.1	Very low	96 Å²	96	78.2 Å²	78.2	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-67	-39.4	179.7	-154.8	129.7	0	0	0	111.8	A316 N317 K319 S324 I330	A316-L321 HydrophobicContact CB-CB 4.45Å; A316-L321 HydrophobicContact CB-CD1 3.83Å; N317-L321 PolarHBondContact O-N 3.4Å; N317-L321 VanDerWaalsContact O-N 3.11Å; K319-L321 VanDerWaalsContact C-N 3.28Å; K319-L321 PolarHBondContact O-N 2.98Å; L321-S324 PolarHBondContact O-OG 2Å; L321-S324 VanDerWaalsContact O-OG 3.1Å; L321-I330 HydrophobicContact CB-CD1 4.25Å; L321-I330 HydrophobicContact CD1-CD1 4.11Å; L321-I330 HydrophobicContact CG-CD1 3.99Å
322	L	43.8	Very low	45.3	Very low	154 Å²	154	76.4 Å²	76.4	81%	0.806	41%	0.409	S	S	*	.	H	α-helix	trans	-73.4	-30.7	177.1	-70.5	170	0	0	0	113.3	K319	K319-L322 PolarHBondContact O-N 2.83Å
323	E	46.5	Very low	45.3	Very low	138 Å²	138	77 Å²	77	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-93.4	-1.9	-177.4	-67.5	176.1	-173.1	0	0	113.4	K319 E320 T325	K319-E323 WeakPolarHBondContact O-CG 3.48Å; K319-E323 PolarHBondContact O-N 2.96Å; K319-E323 VanDerWaalsContact O-N 3.13Å; E320-E323 PolarHBondContact O-N 2.93Å; E323-T325 PolarHBondContact O-N 2.84Å
324	S	37.5	Very low	45.5	Very low	54 Å²	54	81.1 Å²	81.1	38%	0.378	43%	0.43	S	S	.	.			trans	-67.8	128.4	-175.8	70.5	0	0	0	0	112.6	E320 L321	E320-S324 WeakPolarHBondContact O-CB 3.13Å; E320-S324 PolarHBondContact O-N 2.9Å; L321-S324 PolarHBondContact O-OG 2Å; L321-S324 VanDerWaalsContact O-OG 3.1Å
325	T	40.9	Very low	45.6	Very low	64 Å²	64	80.8 Å²	80.8	39%	0.393	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-126.6	162.6	169.6	77.4	0	0	0	0	109.5	E323 E327 N328	E323-T325 PolarHBondContact O-N 2.84Å; T325-E327 WeakPolarHBondContact CB-OE2 3.43Å; T325-E327 PolarHBondContact O-N 2.72Å; T325-E327 VanDerWaalsContact O-N 3.14Å; T325-E327 PolarHBondContact OG1-N 2.88Å; T325-E327 PolarHBondContact OG1-OE2 2.58Å; T325-N328 PolarHBondContact N-O 2.84Å; T325-N328 CarbonylContact O-C 3Å; T325-N328 PolarHBondContact O-N 2.93Å; T325-N328 VanDerWaalsContact O-O 3.13Å; T325-N328 PolarHBondContact OG1-N 3.45Å
326	P	40.2	Very low	45.6	Very low	121 Å²	121	81.9 Å²	81.9	79%	0.786	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.3	175.1	-26.4	35.8	0	0	0	113.6
327	E	43.2	Very low	45.5	Very low	154 Å²	154	82.4 Å²	82.4	72%	0.72	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-24.1	177.5	-54.6	75.2	-160.7	0	0	113.1	T325	T325-E327 WeakPolarHBondContact CB-OE2 3.43Å; T325-E327 PolarHBondContact O-N 2.72Å; T325-E327 VanDerWaalsContact O-N 3.14Å; T325-E327 PolarHBondContact OG1-N 2.88Å; T325-E327 PolarHBondContact OG1-OE2 2.58Å
328	N	44.6	Very low	45.2	Very low	89 Å²	89	80.5 Å²	80.5	48%	0.476	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-130.2	72.3	176.9	-160.4	24.9	0	0	0	110.5	T325	T325-N328 PolarHBondContact N-O 2.84Å; T325-N328 CarbonylContact O-C 3Å; T325-N328 PolarHBondContact O-N 2.93Å; T325-N328 VanDerWaalsContact O-O 3.13Å; T325-N328 PolarHBondContact OG1-N 3.45Å
329	P	42.7	Very low	44.9	Very low	70 Å²	70	79.4 Å²	79.4	46%	0.455	41%	0.406	S	S	.	.			trans	-66.2	152.4	-178	27.8	-34.8	0	0	0	110.7	R331	P329-R331 WeakPolarHBondContact O-CG 3.47Å; P329-R331 PolarHBondContact O-N 2.76Å
330	I	41.3	Very low	44.3	Very low	35 Å²	35	76 Å²	76	18%	0.179	40%	0.399	C	S	.	.			trans	-52.7	121.7	173.5	-59.3	175.9	0	0	0	108.6	L215 A316 E320 L321 V333	L215-I330 HydrophobicContact CD1-CB 4.47Å; A316-I330 HydrophobicContact CB-CD1 4.07Å; A316-I330 HydrophobicContact CB-CG2 3.56Å; E320-I330 HydrophobicContact CB-CG2 4.47Å; L321-I330 HydrophobicContact CB-CD1 4.25Å; L321-I330 HydrophobicContact CD1-CD1 4.11Å; L321-I330 HydrophobicContact CG-CD1 3.99Å; I330-V333 HydrophobicContact CG2-CG2 4.26Å
331	R	45.6	Very low	43.6	Very low	118 Å²	118	79.1 Å²	79.1	45%	0.445	41%	0.409	S	S	.	.			trans	-103.1	-31.8	-177.7	-58.1	-171.9	-179.7	-172.5	0.9	111.6	P329 I373	P329-R331 WeakPolarHBondContact O-CG 3.47Å; P329-R331 PolarHBondContact O-N 2.76Å; R331-I373 HydrophobicContact CB-CG1 4.12Å; R331-I373 HydrophobicContact CB-CG2 4.37Å; R331-I373 HydrophobicContact CG-CG2 4.23Å
332	S	46.1	Very low	43	Very low	22 Å²	22	81.8 Å²	81.8	15%	0.154	42%	0.421	C	S	.	.			trans	-106.9	127.1	-178.1	85.9	0	0	0	0	111.9	E320	E320-S332 PolarHBondContact OE1-OG 3.02Å; E320-S332 PolarHBondContact OE2-N 3.2Å; E320-S332 VanDerWaalsContact OE2-N 3.07Å; E320-S332 PolarHBondContact OE2-OG 2.62Å
333	V	45.8	Very low	42.4	Very low	20 Å²	20	79.7 Å²	79.7	12%	0.121	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130	176.6	-169.2	0	0	0	0	107.3	L215 M314 I330 W353	L215-V333 HydrophobicContact CD2-CB 4.4Å; L215-V333 HydrophobicContact CD2-CG1 4.12Å; L215-V333 HydrophobicContact CD2-CG2 3.45Å; L215-V333 VanDerWaalsContact CD2-CG2 3.45Å; M314-V333 HydrophobicContact CB-CG1 3.93Å; I330-V333 HydrophobicContact CG2-CG2 4.26Å; V333-W353 HydrophobicContact CB-CH2 4.46Å; V333-W353 HydrophobicContact CB-CZ2 4.04Å; V333-W353 HydrophobicContact CG1-CH2 4.15Å; V333-W353 HydrophobicContact CG1-CZ2 3.93Å; V333-W353 VanDerWaalsContact O-CE2 3.3Å; V333-W353 WeakPolarHBondContact O-CZ2 3.2Å; V333-W353 PolarHBondContact O-NE1 2.97Å
334	K	52.2	Low	41.8	Very low	111 Å²	111	75.7 Å²	75.7	48%	0.483	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	173.9	-64.4	-162.2	-177.6	-150.2	0	109.1	E315 K336 D370	E315-K334 PolarHBondContact N-O 2.92Å; E315-K334 PolarHBondContact O-N 2.81Å; K334-K336 PolarHBondContact O-N 3.04Å; K334-D370 WeakPolarHBondContact CE-OD1 3.45Å; K334-D370 IonicContact NZ-OD1 3.91Å; K334-D370 PolarHBondContact NZ-OD1 3.17Å; K334-D370 IonicContact NZ-OD2 3.93Å; K334-D370 PolarHBondContact NZ-OD2 2.8Å
335	C	48.3	Very low	41.9	Very low	14 Å²	14	75.8 Å²	75.8	10%	0.095	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	108.6	165.2	-174	0	0	0	0	107	W353 C379	C335-W353 HydrophobicContact CB-CD2 4.2Å; C335-W353 HydrophobicContact CB-CH2 4.08Å; C335-W353 HydrophobicContact CB-CZ2 3.59Å; C335-C379 HydrophobicContact CB-CB 3.67Å; C335-C379 WeakPolarHBondContact CB-SG 3.18Å; C335-C379 WeakPolarHBondContact SG-CB 3.29Å; C335-C379 CovalentContact SG-SG 2Å; C335-C379 PolarHBondContact SG-SG 2.99Å
336	K	50.3	Low	41.6	Very low	95 Å²	95	74.8 Å²	74.8	41%	0.413	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.7	-178.4	-168.6	-177.8	175.6	-128.3	0	108.4	K313 K334 D338	K313-K336 PolarHBondContact N-O 2.93Å; K313-K336 PolarHBondContact O-N 3.18Å; K334-K336 PolarHBondContact O-N 3.04Å; K336-D338 IonicContact NZ-OD1 2.68Å; K336-D338 PolarHBondContact NZ-OD1 2.84Å
337	I	48.2	Very low	41.6	Very low	29 Å²	29	70.2 Å²	70.2	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.7	168.7	-75.2	177.4	0	0	0	108	F310 D311 I339 V349 T351 V381	F310-I337 HydrophobicContact CB-CG2 4.15Å; F310-I337 HydrophobicContact CD2-CD1 3.86Å; F310-I337 HydrophobicContact CD2-CG1 4.04Å; F310-I337 HydrophobicContact CD2-CG2 4.36Å; F310-I337 HydrophobicContact CE2-CD1 4.08Å; F310-I337 HydrophobicContact CE2-CG1 4.46Å; D311-I337 CarbonylContact O-C 3.52Å; D311-I337 VanDerWaalsContact O-CA 3.27Å; D311-I337 WeakPolarHBondContact O-CA 2.98Å; I337-I339 VanDerWaalsContact C-N 3.3Å; I337-I339 HydrophobicContact CG2-CB 3.72Å; I337-I339 HydrophobicContact CG2-CD1 3.22Å; I337-I339 HydrophobicContact CG2-CG1 3.17Å; I337-I339 PolarHBondContact O-N 2.85Å; I337-V349 HydrophobicContact CD1-CG1 3.49Å; I337-V349 VanDerWaalsContact CD1-CG1 3.49Å; I337-T351 HydrophobicContact CB-CG2 4.43Å; I337-T351 HydrophobicContact CD1-CG2 3.14Å; I337-T351 HydrophobicContact CG1-CG2 3.52Å; I337-V381 HydrophobicContact CD1-CB 4.42Å; I337-V381 HydrophobicContact CD1-CG1 3.57Å; I337-V381 HydrophobicContact CD1-CG2 3.99Å
338	D	43.5	Very low	41.5	Very low	52 Å²	52	70 Å²	70	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	74.4	170.3	-98.6	19.5	0	0	0	108.2	D311 K313 K336	D311-D338 HydrophobicContact CB-CB 4.45Å; D311-D338 PolarHBondContact O-N 3.26Å; K313-D338 HydrophobicContact CD-CB 4.07Å; K313-D338 WeakPolarHBondContact CD-OD2 3.45Å; K313-D338 VanDerWaalsContact CE-CG 3.44Å; K313-D338 WeakPolarHBondContact CE-OD2 3.32Å; K313-D338 IonicContact NZ-OD2 3.74Å; K313-D338 PolarHBondContact NZ-OD2 3.1Å; K336-D338 IonicContact NZ-OD1 2.68Å; K336-D338 PolarHBondContact NZ-OD1 2.84Å
339	I	41.2	Very low	41.4	Very low	24 Å²	24	68.2 Å²	68.2	12%	0.123	34%	0.335	C	S	.	.			trans	-102.1	119.1	170.5	-77.7	170	0	0	0	108.1	F310 I337 Y341 V349	F310-I339 HydrophobicContact CB-CD1 3.32Å; F310-I339 HydrophobicContact CB-CG1 3.37Å; F310-I339 HydrophobicContact CG-CD1 4.2Å; I337-I339 VanDerWaalsContact C-N 3.3Å; I337-I339 HydrophobicContact CG2-CB 3.72Å; I337-I339 HydrophobicContact CG2-CD1 3.22Å; I337-I339 HydrophobicContact CG2-CG1 3.17Å; I337-I339 PolarHBondContact O-N 2.85Å; I339-Y341 VanDerWaalsContact CG2-CB 3.42Å; I339-Y341 HydrophobicContact CG2-CD2 3.93Å; I339-Y341 HydrophobicContact CG2-CG 4.13Å; I339-Y341 PolarHBondContact O-N 3.25Å; I339-V349 HydrophobicContact CD1-CG2 4.42Å
340	P	36.3	Very low	41.6	Very low	81 Å²	81	69.6 Å²	69.6	53%	0.526	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.7	164.7	25.8	-30.3	0	0	0	113.3	K174 M342	K174-P340 PolarHBondContact NZ-O 2.91Å; P340-M342 VanDerWaalsContact C-N 3.27Å; P340-M342 PolarHBondContact O-N 3.34Å
341	Y	34	Very low	41.8	Very low	120 Å²	120	70.3 Å²	70.3	47%	0.471	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	25.8	175.6	-44.1	-75.4	0	0	0	113.8	I339 I343	I339-Y341 VanDerWaalsContact CG2-CB 3.42Å; I339-Y341 HydrophobicContact CG2-CD2 3.93Å; I339-Y341 HydrophobicContact CG2-CG 4.13Å; I339-Y341 PolarHBondContact O-N 3.25Å; Y341-I343 PolarHBondContact O-N 2.65Å
342	M	31.6	Very low	41.8	Very low	153 Å²	153	69.2 Å²	69.2	75%	0.754	34%	0.338	S	S	*	.			trans	-56.4	105.8	-176.9	-151.3	-177.9	-160.6	0	0	107.3	P340	P340-M342 VanDerWaalsContact C-N 3.27Å; P340-M342 PolarHBondContact O-N 3.34Å
343	I	30.8	Very low	41.8	Very low	110 Å²	110	71.6 Å²	71.6	56%	0.564	34%	0.344	S	S	*	.			trans	69	82.3	174.2	-43.7	158.2	0	0	0	112.5	Y341	Y341-I343 PolarHBondContact O-N 2.65Å
344	T	33.4	Very low	41.5	Very low	53 Å²	53	71.7 Å²	71.7	33%	0.325	35%	0.345	S	S	.	.			trans	-80.7	132.6	136.3	59.8	0	0	0	0	105.3	L346 F347	T344-L346 PolarHBondContact O-N 3.4Å; T344-F347 PolarHBondContact O-N 3.02Å; T344-F347 WeakPolarHBondContact OG1-CE1 3.44Å
345	D	39.2	Very low	40.7	Very low	56 Å²	56	72.1 Å²	72.1	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-3.4	-177.8	-67.6	-48.7	0	0	0	114.8	Q386	D345-Q386 PolarHBondContact O-OE1 2.8Å; D345-Q386 VanDerWaalsContact O-OE1 3.05Å
346	L	34	Very low	40.1	Very low	43 Å²	43	72.6 Å²	72.6	23%	0.225	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30	169.6	-59.1	175.5	0	0	0	113.8	F48 T344 Q386 T388	F48-L346 HydrophobicContact CD1-CD2 3.84Å; F48-L346 HydrophobicContact CE1-CD2 3.65Å; F48-L346 HydrophobicContact CZ-CD1 4.31Å; F48-L346 HydrophobicContact CZ-CD2 4.23Å; T344-L346 PolarHBondContact O-N 3.4Å; L346-Q386 PolarHBondContact O-N 3.29Å; L346-T388 HydrophobicContact CD2-CG2 3.41Å; L346-T388 VanDerWaalsContact CD2-CG2 3.41Å
347	F	40.6	Very low	39.3	Very low	26 Å²	26	72 Å²	72	11%	0.114	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	145.8	179.7	57.9	-87.6	0	0	0	113.6	F308 T344 V349 V383 K384 F385	F308-F347 HydrophobicContact CE1-CD2 4.46Å; F308-F347 HydrophobicContact CE1-CE2 4.43Å; F308-F347 HydrophobicContact CE2-CE2 4.35Å; F308-F347 HydrophobicContact CZ-CD2 4.3Å; F308-F347 HydrophobicContact CZ-CE2 4.21Å; T344-F347 PolarHBondContact O-N 3.02Å; T344-F347 WeakPolarHBondContact OG1-CE1 3.44Å; F347-V349 HydrophobicContact CD2-CG2 3.79Å; F347-V349 HydrophobicContact CE2-CG2 4Å; F347-V383 HydrophobicContact CB-CG1 4.1Å; F347-V383 HydrophobicContact CD2-CG1 4.16Å; F347-V383 HydrophobicContact CG-CG1 4.4Å; F347-K384 CarbonylContact C-O 3.14Å; F347-K384 WeakPolarHBondContact CA-O 3.39Å; F347-K384 WeakPolarHBondContact CB-O 3.32Å; F347-F385 HydrophobicContact CB-CD1 4.24Å; F347-F385 HydrophobicContact CB-CG 4.3Å
348	R	42.7	Very low	38.5	Very low	149 Å²	149	75.3 Å²	75.3	56%	0.562	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	127.6	171.6	-67.9	-174.7	179.3	-163.6	-4	109.9	K384	R348-K384 PolarHBondContact N-O 3.04Å; R348-K384 PolarHBondContact O-N 2.84Å
349	V	42	Very low	37.9	Very low	51 Å²	51	74.6 Å²	74.6	31%	0.309	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.5	174.9	-170.7	0	0	0	0	108.8	F308 I337 I339 F347 V381 L382 V383	F308-V349 HydrophobicContact CZ-CG2 4.45Å; I337-V349 HydrophobicContact CD1-CG1 3.49Å; I337-V349 VanDerWaalsContact CD1-CG1 3.49Å; I339-V349 HydrophobicContact CD1-CG2 4.42Å; F347-V349 HydrophobicContact CD2-CG2 3.79Å; F347-V349 HydrophobicContact CE2-CG2 4Å; V349-V381 HydrophobicContact CG1-CG1 3.49Å; V349-V381 VanDerWaalsContact CG1-CG1 3.49Å; V349-L382 CarbonylContact C-O 3.54Å; V349-L382 WeakPolarHBondContact CA-O 3.36Å; V349-V383 HydrophobicContact CG1-CG2 4.48Å; V349-V383 HydrophobicContact CG2-CG1 4.44Å; V349-V383 HydrophobicContact CG2-CG2 4.46Å
350	Q	45.8	Very low	37.3	Very low	99 Å²	99	82 Å²	82	46%	0.463	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.3	175	-173.6	179.4	1.2	0	0	109.4	W352 L382	Q350-W352 HydrophobicContact CG-CE3 4.23Å; Q350-W352 HydrophobicContact CG-CZ3 4.48Å; Q350-L382 PolarHBondContact N-O 3.26Å; Q350-L382 PolarHBondContact O-N 2.67Å
351	T	46.6	Very low	37	Very low	51 Å²	51	84.9 Å²	84.9	31%	0.313	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.7	177.6	51.7	0	0	0	0	111	I337 N380 V381	I337-T351 HydrophobicContact CB-CG2 4.43Å; I337-T351 HydrophobicContact CD1-CG2 3.14Å; I337-T351 HydrophobicContact CG1-CG2 3.52Å; T351-N380 VanDerWaalsContact CA-O 3.29Å; T351-N380 WeakPolarHBondContact CA-O 3.3Å; T351-V381 HydrophobicContact CG2-CG1 4.47Å; T351-V381 HydrophobicContact CG2-CG2 4.15Å
352	W	45.8	Very low	36.7	Very low	94 Å²	94	83.6 Å²	83.6	36%	0.356	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.6	170.5	70	94.7	0	0	0	111.7	Q350 N380 L382	Q350-W352 HydrophobicContact CG-CE3 4.23Å; Q350-W352 HydrophobicContact CG-CZ3 4.48Å; W352-N380 HydrophobicContact CD2-CB 4Å; W352-N380 HydrophobicContact CG-CB 4.4Å; W352-N380 HydrophobicContact CZ2-CB 3.88Å; W352-N380 PolarHBondContact N-O 2.92Å; W352-N380 PolarHBondContact O-N 3.41Å; W352-N380 PolarHBondContact O-ND2 3.11Å; W352-L382 HydrophobicContact CH2-CB 3.59Å; W352-L382 HydrophobicContact CH2-CD2 4.12Å; W352-L382 HydrophobicContact CH2-CG 4.34Å; W352-L382 HydrophobicContact CZ3-CB 3.33Å; W352-L382 HydrophobicContact CZ3-CD2 4.05Å; W352-L382 HydrophobicContact CZ3-CG 4.3Å
353	W	44.6	Very low	36.5	Very low	72 Å²	72	85.3 Å²	85.3	27%	0.273	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.2	178	-68.3	110.8	0	0	0	112.2	M314 V333 C335 Y377 R378 C379	M314-W353 HydrophobicContact CE-CH2 4.32Å; M314-W353 HydrophobicContact CE-CZ3 4.27Å; M314-W353 HydrophobicContact CG-CH2 4.06Å; M314-W353 HydrophobicContact SD-CH2 4.27Å; V333-W353 HydrophobicContact CB-CH2 4.46Å; V333-W353 HydrophobicContact CB-CZ2 4.04Å; V333-W353 HydrophobicContact CG1-CH2 4.15Å; V333-W353 HydrophobicContact CG1-CZ2 3.93Å; V333-W353 VanDerWaalsContact O-CE2 3.3Å; V333-W353 WeakPolarHBondContact O-CZ2 3.2Å; V333-W353 PolarHBondContact O-NE1 2.97Å; C335-W353 HydrophobicContact CB-CD2 4.2Å; C335-W353 HydrophobicContact CB-CH2 4.08Å; C335-W353 HydrophobicContact CB-CZ2 3.59Å; W353-Y377 HydrophobicContact CE3-CD1 4.5Å; W353-Y377 HydrophobicContact CE3-CG 4.34Å; W353-R378 CarbonylContact C-O 3.47Å; W353-R378 WeakPolarHBondContact CA-O 3.42Å; W353-R378 VanDerWaalsContact CE3-C 3.45Å; W353-C379 HydrophobicContact CE3-CB 4.14Å; W353-C379 HydrophobicContact CH2-CB 4.36Å; W353-C379 HydrophobicContact CZ3-CB 3.89Å
354	S	41	Very low	36.5	Very low	22 Å²	22	85.3 Å²	85.3	15%	0.154	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.6	167	66.4	0	0	0	0	111.8	R378 N380	S354-R378 PolarHBondContact N-O 2.78Å; S354-R378 PolarHBondContact O-N 2.84Å; S354-N380 WeakPolarHBondContact CB-ND2 3.39Å; S354-N380 PolarHBondContact N-ND2 3.33Å; S354-N380 PolarHBondContact OG-ND2 3.11Å; S354-N380 PolarHBondContact OG-OD1 2.85Å
355	L	35.6	Very low	36.2	Very low	121 Å²	121	88.1 Å²	88.1	63%	0.634	46%	0.455	S	S	*	.			trans	-94.6	-2.9	-167.1	-135	132.4	0	0	0	113.9
356	S	35.4	Very low	35.7	Very low	23 Å²	23	94.2 Å²	94.2	16%	0.161	48%	0.482	C	S	.	.			trans	-122.7	126.5	-169.1	-175.9	0	0	0	0	112.5	T358 G359	S356-T358 PolarHBondContact O-N 3.37Å; S356-T358 PolarHBondContact OG-N 2.02Å; S356-T358 VanDerWaalsContact OG-N 3.12Å; S356-T358 PolarHBondContact OG-OG1 3.06Å; S356-T358 VanDerWaalsContact OG-OG1 3.12Å; S356-G359 PolarHBondContact OG-N 3.22Å
357	S	33.3	Very low	35.5	Very low	82 Å²	82	97 Å²	97	57%	0.573	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.4	166.6	54.6	0	0	0	0	113	P209	P209-S357 WeakPolarHBondContact CB-O 3.46Å
358	T	31.4	Very low	35	Very low	99 Å²	99	103.8 Å²	103.8	61%	0.607	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-5.5	-176.3	65.1	0	0	0	0	114.4	S356 K360	S356-T358 PolarHBondContact O-N 3.37Å; S356-T358 PolarHBondContact OG-N 2.02Å; S356-T358 VanDerWaalsContact OG-N 3.12Å; S356-T358 PolarHBondContact OG-OG1 3.06Å; S356-T358 VanDerWaalsContact OG-OG1 3.12Å; T358-K360 PolarHBondContact O-N 3.17Å; T358-K360 VanDerWaalsContact O-N 3.12Å
359	G	30.5	Very low	34.3	Very low	38 Å²	38	99.1 Å²	99.1	39%	0.392	53%	0.532	S	S	.	.	S	Bend	trans	65.3	7.8	179.4	0	0	0	0	0	116.2	S356 L362	S356-G359 PolarHBondContact OG-N 3.22Å; G359-L362 VanDerWaalsContact O-CD1 3.31Å; G359-L362 WeakPolarHBondContact O-CD1 3.22Å; G359-L362 WeakPolarHBondContact O-CG 3.15Å
360	K	29.2	Very low	33.9	Very low	180 Å²	180	102 Å²	102	78%	0.783	55%	0.546	S	S	*	.			trans	-79.7	-27.9	-175.6	-81	-175.3	177.2	176.6	0	115.2	T358 L362	T358-K360 PolarHBondContact O-N 3.17Å; T358-K360 VanDerWaalsContact O-N 3.12Å; K360-L362 PolarHBondContact O-N 2.78Å
361	D	29	Very low	33.2	Very low	140 Å²	140	104.8 Å²	104.8	75%	0.749	56%	0.558	S	S	*	*			trans	-104.2	48.8	-177.3	-63.2	-40.3	0	0	0	111.2	K363	D361-K363 PolarHBondContact O-N 3.29Å
362	L	29	Very low	32.6	Very low	93 Å²	93	107.6 Å²	107.6	49%	0.487	57%	0.568	S	S	.	*			trans	-67.8	69.3	171.1	-76.3	160.6	0	0	0	110	G359 K360 T364 L409	G359-L362 VanDerWaalsContact O-CD1 3.31Å; G359-L362 WeakPolarHBondContact O-CD1 3.22Å; G359-L362 WeakPolarHBondContact O-CG 3.15Å; K360-L362 PolarHBondContact O-N 2.78Å; L362-T364 VanDerWaalsContact C-N 3.32Å; L362-T364 PolarHBondContact O-N 3.26Å; L362-L409 HydrophobicContact CD1-CD1 4.02Å
363	K	27.7	Very low	31.9	Very low	189 Å²	189	108.8 Å²	108.8	82%	0.822	58%	0.58	S	S	*	*			trans	-74.9	100.3	148.4	-79.9	-170.6	176.1	-175.1	0	105.5	D361 D365	D361-K363 PolarHBondContact O-N 3.29Å; K363-D365 PolarHBondContact O-N 2.95Å
364	T	30	Very low	31.5	Very low	110 Å²	110	107.4 Å²	107.4	68%	0.675	58%	0.582	S	S	*	*			trans	-62.6	82.4	167.8	43.4	0	0	0	0	107.9	L362 E366	L362-T364 VanDerWaalsContact C-N 3.32Å; L362-T364 PolarHBondContact O-N 3.26Å; T364-E366 PolarHBondContact O-N 3.4Å
365	D	26.7	Very low	31.3	Very low	113 Å²	113	111.3 Å²	111.3	60%	0.604	61%	0.609	S	S	*	*			trans	-70.7	91.3	158.7	-81.1	-16.6	0	0	0	105.6	K363 L367	K363-D365 PolarHBondContact O-N 2.95Å; D365-L367 HydrophobicContact CB-CD1 3.56Å; D365-L367 HydrophobicContact CB-CG 3.86Å; D365-L367 PolarHBondContact O-N 3.31Å
366	E	28.5	Very low	31.5	Very low	184 Å²	184	110.6 Å²	110.6	86%	0.86	61%	0.605	S	S	*	*			trans	-63.1	76.2	165.3	-76.1	-175.2	151.9	0	0	107.9	T364	T364-E366 PolarHBondContact O-N 3.4Å
367	L	30.4	Very low	31.9	Very low	100 Å²	100	112.4 Å²	112.4	52%	0.524	61%	0.609	S	S	.	*			trans	-105.1	97.2	-176	-76.1	169.5	0	0	0	109.9	D365 G369 H372	D365-L367 HydrophobicContact CB-CD1 3.56Å; D365-L367 HydrophobicContact CB-CG 3.86Å; D365-L367 PolarHBondContact O-N 3.31Å; L367-G369 PolarHBondContact O-N 2.6Å; L367-H372 VanDerWaalsContact CD1-NE2 3.28Å; L367-H372 WeakPolarHBondContact CD1-NE2 3.4Å
368	N	29.2	Very low	32.4	Very low	170 Å²	170	110.3 Å²	110.3	91%	0.909	59%	0.589	S	S	*	*			trans	-56.5	115.7	154.7	-88.2	-21.9	0	0	0	108.8
369	G	28.4	Very low	33	Very low	51 Å²	51	105.9 Å²	105.9	53%	0.526	56%	0.562	S	S	.	*	S	Bend	trans	78.1	107.3	173.3	0	0	0	0	0	112.3	L367	L367-G369 PolarHBondContact O-N 2.6Å
370	D	33.9	Very low	33.8	Very low	112 Å²	112	104.8 Å²	104.8	60%	0.599	55%	0.547	S	S	*	.				84	95.6	92.8	-79.3	-9.6	0	0	0	111.2	K334	K334-D370 WeakPolarHBondContact CE-OD1 3.45Å; K334-D370 IonicContact NZ-OD1 3.91Å; K334-D370 PolarHBondContact NZ-OD1 3.17Å; K334-D370 IonicContact NZ-OD2 3.93Å; K334-D370 PolarHBondContact NZ-OD2 2.8Å
371	E	31.9	Very low	34.6	Very low	156 Å²	156	96.7 Å²	96.7	73%	0.729	51%	0.512	S	S	*	.			trans	117.4	110.1	163.6	-68.6	-176.1	169.1	0	0	115.4
372	H	33.8	Very low	35.3	Very low	110 Å²	110	90.7 Å²	90.7	51%	0.509	48%	0.48	S	S	.	.			trans	-147.8	158.9	164	-81.4	-69.7	0	0	0	111.4	L367 Y377	L367-H372 VanDerWaalsContact CD1-NE2 3.28Å; L367-H372 WeakPolarHBondContact CD1-NE2 3.4Å; H372-Y377 PolarHBondContact O-OH 2.99Å; H372-Y377 VanDerWaalsContact O-OH 3.1Å
373	I	31.2	Very low	36	Very low	119 Å²	119	86.5 Å²	86.5	61%	0.61	46%	0.459	S	S	*	.			trans	-121.8	112.7	-174.6	-54.1	171.4	0	0	0	110	R331 Y377	R331-I373 HydrophobicContact CB-CG1 4.12Å; R331-I373 HydrophobicContact CB-CG2 4.37Å; R331-I373 HydrophobicContact CG-CG2 4.23Å; I373-Y377 VanDerWaalsContact CA-OH 3.31Å; I373-Y377 WeakPolarHBondContact CA-OH 3.31Å; I373-Y377 PolarHBondContact N-OH 2.9Å
374	S	35.6	Very low	36.6	Very low	44 Å²	44	80.8 Å²	80.8	31%	0.308	43%	0.434	S	S	.	.			trans	-171.7	159.2	175.6	178.5	0	0	0	0	109.9	Y377	S374-Y377 VanDerWaalsContact CB-CZ 3.48Å; S374-Y377 WeakPolarHBondContact CB-OH 3.43Å; S374-Y377 PolarHBondContact N-OH 2.75Å; S374-Y377 WeakPolarHBondContact O-CD2 3.31Å; S374-Y377 WeakPolarHBondContact O-CE2 2.82Å
375	S	37.7	Very low	37	Very low	104 Å²	104	76.2 Å²	76.2	73%	0.727	40%	0.404	S	S	*	.	S	Bend	trans	-94.5	-12.1	-178.4	61.7	0	0	0	0	114.4
376	N	39.3	Very low	37.5	Very low	105 Å²	105	75 Å²	75	56%	0.561	40%	0.395	S	S	*	.			trans	-124.8	89.5	-172.3	-64.3	-12.9	0	0	0	109.6
377	Y	43	Very low	37.6	Very low	62 Å²	62	67.6 Å²	67.6	24%	0.243	36%	0.364	C	S	.	.			trans	-112.5	135.2	-179	-71.8	-66.2	0	0	0	111.6	W353 H372 I373 S374	W353-Y377 HydrophobicContact CE3-CD1 4.5Å; W353-Y377 HydrophobicContact CE3-CG 4.34Å; H372-Y377 PolarHBondContact O-OH 2.99Å; H372-Y377 VanDerWaalsContact O-OH 3.1Å; I373-Y377 VanDerWaalsContact CA-OH 3.31Å; I373-Y377 WeakPolarHBondContact CA-OH 3.31Å; I373-Y377 PolarHBondContact N-OH 2.9Å; S374-Y377 VanDerWaalsContact CB-CZ 3.48Å; S374-Y377 WeakPolarHBondContact CB-OH 3.43Å; S374-Y377 PolarHBondContact N-OH 2.75Å; S374-Y377 WeakPolarHBondContact O-CD2 3.31Å; S374-Y377 WeakPolarHBondContact O-CE2 2.82Å
378	R	43.2	Very low	37.6	Very low	38 Å²	38	65.1 Å²	65.1	14%	0.143	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.1	168.9	173.6	179.6	167	142.5	7.2	109.2	Y206 Q207 W353 S354 N380	Y206-R378 VanDerWaalsContact CA-NH2 3.27Å; Y206-R378 VanDerWaalsContact CB-NH2 3.34Å; Q207-R378 VanDerWaalsContact O-CZ 3.3Å; Q207-R378 PolarHBondContact O-NH1 3.23Å; Q207-R378 PolarHBondContact O-NH2 2.91Å; W353-R378 CarbonylContact C-O 3.47Å; W353-R378 WeakPolarHBondContact CA-O 3.42Å; W353-R378 VanDerWaalsContact CE3-C 3.45Å; S354-R378 PolarHBondContact N-O 2.78Å; S354-R378 PolarHBondContact O-N 2.84Å; R378-N380 PolarHBondContact NE-OD1 3.49Å; R378-N380 VanDerWaalsContact NE-OD1 3.09Å; R378-N380 PolarHBondContact O-ND2 3.39Å
379	C	45.3	Very low	37.4	Very low	6 Å²	6	64.9 Å²	64.9	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.8	166.6	-179.9	0	0	0	0	109.6	C335 W353	C335-C379 HydrophobicContact CB-CB 3.67Å; C335-C379 WeakPolarHBondContact CB-SG 3.18Å; C335-C379 WeakPolarHBondContact SG-CB 3.29Å; C335-C379 CovalentContact SG-SG 2Å; C335-C379 PolarHBondContact SG-SG 2.99Å; W353-C379 HydrophobicContact CE3-CB 4.14Å; W353-C379 HydrophobicContact CH2-CB 4.36Å; W353-C379 HydrophobicContact CZ3-CB 3.89Å
380	N	46.9	Very low	37.4	Very low	15 Å²	15	65.6 Å²	65.6	8%	0.08	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140	174.1	-51.1	-80.3	0	0	0	108.8	T351 W352 S354 R378	T351-N380 VanDerWaalsContact CA-O 3.29Å; T351-N380 WeakPolarHBondContact CA-O 3.3Å; W352-N380 HydrophobicContact CD2-CB 4Å; W352-N380 HydrophobicContact CG-CB 4.4Å; W352-N380 HydrophobicContact CZ2-CB 3.88Å; W352-N380 PolarHBondContact N-O 2.92Å; W352-N380 PolarHBondContact O-N 3.41Å; W352-N380 PolarHBondContact O-ND2 3.11Å; S354-N380 WeakPolarHBondContact CB-ND2 3.39Å; S354-N380 PolarHBondContact N-ND2 3.33Å; S354-N380 PolarHBondContact OG-ND2 3.11Å; S354-N380 PolarHBondContact OG-OD1 2.85Å; R378-N380 PolarHBondContact NE-OD1 3.49Å; R378-N380 VanDerWaalsContact NE-OD1 3.09Å; R378-N380 PolarHBondContact O-ND2 3.39Å
381	V	45.1	Very low	37.1	Very low	9 Å²	9	66.1 Å²	66.1	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.9	177	-173.6	0	0	0	0	108.5	F310 I337 V349 T351 V383	F310-V381 HydrophobicContact CE1-CG1 4.1Å; F310-V381 HydrophobicContact CE2-CB 4.06Å; F310-V381 HydrophobicContact CE2-CG1 3.88Å; F310-V381 HydrophobicContact CE2-CG2 3.64Å; F310-V381 HydrophobicContact CZ-CB 3.75Å; F310-V381 HydrophobicContact CZ-CG1 3.57Å; F310-V381 HydrophobicContact CZ-CG2 3.85Å; I337-V381 HydrophobicContact CD1-CB 4.42Å; I337-V381 HydrophobicContact CD1-CG1 3.57Å; I337-V381 HydrophobicContact CD1-CG2 3.99Å; V349-V381 HydrophobicContact CG1-CG1 3.49Å; V349-V381 VanDerWaalsContact CG1-CG1 3.49Å; T351-V381 HydrophobicContact CG2-CG1 4.47Å; T351-V381 HydrophobicContact CG2-CG2 4.15Å; V381-V383 HydrophobicContact CG1-CG2 4.42Å
382	L	44.9	Very low	36.7	Very low	15 Å²	15	65.8 Å²	65.8	8%	0.079	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133	173.5	-178.8	68.7	0	0	0	109.6	S202 L203 V349 Q350 W352 K384	S202-L382 WeakPolarHBondContact OG-CD1 3.13Å; L203-L382 VanDerWaalsContact O-CD1 3.28Å; L203-L382 WeakPolarHBondContact O-CD1 3.14Å; V349-L382 CarbonylContact C-O 3.54Å; V349-L382 WeakPolarHBondContact CA-O 3.36Å; Q350-L382 PolarHBondContact N-O 3.26Å; Q350-L382 PolarHBondContact O-N 2.67Å; W352-L382 HydrophobicContact CH2-CB 3.59Å; W352-L382 HydrophobicContact CH2-CD2 4.12Å; W352-L382 HydrophobicContact CH2-CG 4.34Å; W352-L382 HydrophobicContact CZ3-CB 3.33Å; W352-L382 HydrophobicContact CZ3-CD2 4.05Å; W352-L382 HydrophobicContact CZ3-CG 4.3Å; L382-K384 HydrophobicContact CD2-CD 4.38Å; L382-K384 HydrophobicContact CD2-CG 4.13Å; L382-K384 HydrophobicContact CG-CG 4.24Å
383	V	43.4	Very low	36.3	Very low	5 Å²	5	65.7 Å²	65.7	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.1	178.3	-173.7	0	0	0	0	107.3	L203 F308 F347 V349 V381 F385	L203-V383 CarbonylContact C-O 3.57Å; L203-V383 WeakPolarHBondContact CA-O 3.22Å; L203-V383 VanDerWaalsContact CB-O 3.3Å; L203-V383 WeakPolarHBondContact CB-O 3.32Å; L203-V383 PolarHBondContact N-O 2.76Å; L203-V383 CarbonylContact O-C 3.51Å; L203-V383 PolarHBondContact O-N 3.27Å; F308-V383 HydrophobicContact CE1-CG1 3.71Å; F308-V383 HydrophobicContact CE1-CG2 4.39Å; F308-V383 HydrophobicContact CE2-CG2 4.44Å; F308-V383 HydrophobicContact CZ-CB 4.13Å; F308-V383 HydrophobicContact CZ-CG1 3.48Å; F308-V383 VanDerWaalsContact CZ-CG1 3.48Å; F308-V383 HydrophobicContact CZ-CG2 3.58Å; F347-V383 HydrophobicContact CB-CG1 4.1Å; F347-V383 HydrophobicContact CD2-CG1 4.16Å; F347-V383 HydrophobicContact CG-CG1 4.4Å; V349-V383 HydrophobicContact CG1-CG2 4.48Å; V349-V383 HydrophobicContact CG2-CG1 4.44Å; V349-V383 HydrophobicContact CG2-CG2 4.46Å; V381-V383 HydrophobicContact CG1-CG2 4.42Å; V383-F385 HydrophobicContact CB-CD2 4.38Å; V383-F385 HydrophobicContact CB-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CD2 3.73Å; V383-F385 HydrophobicContact CG1-CE2 3.33Å; V383-F385 HydrophobicContact CG1-CZ 3.87Å
384	K	40.5	Very low	35.9	Very low	69 Å²	69	68.3 Å²	68.3	30%	0.3	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.5	173.6	-71.2	-178.7	-179.4	168.1	0	108.2	F347 R348 L382	F347-K384 CarbonylContact C-O 3.14Å; F347-K384 WeakPolarHBondContact CA-O 3.39Å; F347-K384 WeakPolarHBondContact CB-O 3.32Å; R348-K384 PolarHBondContact N-O 3.04Å; R348-K384 PolarHBondContact O-N 2.84Å; L382-K384 HydrophobicContact CD2-CD 4.38Å; L382-K384 HydrophobicContact CD2-CG 4.13Å; L382-K384 HydrophobicContact CG-CG 4.24Å
385	F	38.6	Very low	35.3	Very low	13 Å²	13	76 Å²	76	6%	0.057	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.4	172.7	-66.4	-110.4	0	0	0	107.6	L203 F289 F308 F347 V383 S387	L203-F385 HydrophobicContact CB-CD2 3.72Å; L203-F385 HydrophobicContact CB-CE2 3.7Å; L203-F385 HydrophobicContact CD1-CB 3.97Å; L203-F385 HydrophobicContact CD1-CD1 4.46Å; L203-F385 HydrophobicContact CD1-CD2 3Å; L203-F385 HydrophobicContact CD1-CE2 3.39Å; L203-F385 HydrophobicContact CD1-CG 3.58Å; L203-F385 HydrophobicContact CD1-CZ 4.27Å; L203-F385 HydrophobicContact CG-CD2 3.87Å; L203-F385 HydrophobicContact CG-CE2 4.09Å; F289-F385 HydrophobicContact CZ-CE1 4.3Å; F289-F385 HydrophobicContact CZ-CZ 4.18Å; F308-F385 HydrophobicContact CE1-CE1 4.4Å; F308-F385 AromaticContact CE1-CZ 3.84Å; F308-F385 HydrophobicContact CE1-CZ 3.84Å; F347-F385 HydrophobicContact CB-CD1 4.24Å; F347-F385 HydrophobicContact CB-CG 4.3Å; V383-F385 HydrophobicContact CB-CD2 4.38Å; V383-F385 HydrophobicContact CB-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CD2 3.73Å; V383-F385 HydrophobicContact CG1-CE2 3.33Å; V383-F385 HydrophobicContact CG1-CZ 3.87Å; F385-S387 PolarHBondContact O-N 3.13Å
386	Q	37.2	Very low	34.7	Very low	88 Å²	88	78.5 Å²	78.5	41%	0.411	38%	0.381	S	S	.	.			trans	-73.9	122.8	170.8	-162.4	164	-32.1	0	0	106.4	D345 L346 T388	D345-Q386 PolarHBondContact O-OE1 2.8Å; D345-Q386 VanDerWaalsContact O-OE1 3.05Å; L346-Q386 PolarHBondContact O-N 3.29Å; Q386-T388 PolarHBondContact O-N 3.07Å
387	S	31.1	Very low	33.8	Very low	29 Å²	29	83.5 Å²	83.5	20%	0.203	39%	0.394	C	S	.	.			trans	-61.4	100.1	179.7	54.7	0	0	0	0	109.4	F385 F389	F385-S387 PolarHBondContact O-N 3.13Å; S387-F389 PolarHBondContact O-N 3.43Å
388	T	29.5	Very low	32.7	Very low	47 Å²	47	89.1 Å²	89.1	29%	0.288	42%	0.42	S	S	.	.			trans	-76.6	104	168.3	44.5	0	0	0	0	107.3	F48 L346 Q386 P390	F48-T388 HydrophobicContact CD1-CG2 4.07Å; F48-T388 HydrophobicContact CE1-CG2 4.07Å; L346-T388 HydrophobicContact CD2-CG2 3.41Å; L346-T388 VanDerWaalsContact CD2-CG2 3.41Å; Q386-T388 PolarHBondContact O-N 3.07Å; T388-P390 VanDerWaalsContact O-CD 3.29Å; T388-P390 WeakPolarHBondContact O-CD 3.37Å
389	F	24.5	Very low	31.7	Very low	166 Å²	166	95.1 Å²	95.1	73%	0.728	45%	0.449	S	S	*	.			trans	-56.7	120.9	-179.4	-73.2	-91.2	0	0	0	111.2	S387	S387-F389 PolarHBondContact O-N 3.43Å
390	P	29.5	Very low	30.6	Very low	65 Å²	65	100.6 Å²	100.6	42%	0.422	48%	0.482	S	S	.	.			trans	-86.5	114.5	161.5	26.2	-15	0	0	0	108.7	Y304 T388	Y304-P390 HydrophobicContact CD2-CB 4.46Å; Y304-P390 HydrophobicContact CD2-CG 4.15Å; Y304-P390 HydrophobicContact CE2-CB 4.01Å; Y304-P390 HydrophobicContact CE2-CG 3.87Å; T388-P390 VanDerWaalsContact O-CD 3.29Å; T388-P390 WeakPolarHBondContact O-CD 3.37Å
391	R	27	Very low	29.3	Very low	124 Å²	124	107.1 Å²	107.1	47%	0.468	51%	0.512	S	S	.	.			trans	-84.7	107.7	171.4	-69.2	-177.3	-177.8	169.4	4.4	108.7	G19 R21	G19-R391 PolarHBondContact O-NH2 3.06Å; R21-R391 PolarHBondContact O-NH2 2.9Å
392	L	24.3	Very low	28.2	Very low	149 Å²	149	113.3 Å²	113.3	78%	0.78	54%	0.544	S	S	*	.			trans	-107.9	128.5	159.5	-87	159.1	0	0	0	107.3
393	D	24.2	Very low	27	Very low	107 Å²	107	121.2 Å²	121.2	57%	0.572	57%	0.573	S	S	*	*			trans	-61.5	148.2	172.1	-74.3	-52.6	0	0	0	111.5
394	M	22.4	Very low	25.9	Very low	174 Å²	174	127.9 Å²	127.9	86%	0.857	61%	0.607	S	S	*	*				179	141.4	127.2	-83	-115.2	-83.1	0	0	109.6	E396	M394-E396 PolarHBondContact O-N 3.09Å
395	E	24.4	Very low	25	Very low	206 Å²	206	134.2 Å²	134.2	96%	0.963	63%	0.631	S	S	*	*	S	Bend	trans	-69.3	15.6	-156.7	-61.5	177.6	124.9	0	0	117.6
396	E	24.4	Very low	24.2	Very low	156 Å²	156	140.7 Å²	140.7	73%	0.729	67%	0.665	S	S	*	*			trans	-125.8	109.2	171.7	-66.4	-176.7	148.4	0	0	104.8	M394	M394-E396 PolarHBondContact O-N 3.09Å
397	Y	21	Very low	23.4	Very low	210 Å²	210	142.3 Å²	142.3	82%	0.824	69%	0.686	S	S	*	*				-167.5	121	95.3	-93.9	-84.8	0	0	0	108.5
398	K	20.4	Very low	22.9	Very low	181 Å²	181	144.1 Å²	144.1	79%	0.787	71%	0.709	S	S	*	*			trans	-69.8	133.7	174.5	-72	173.3	175	167.9	0	110.7
399	H	21.3	Very low	22.5	Very low	163 Å²	163	148.5 Å²	148.5	76%	0.755	73%	0.73	S	S	*	*			trans	73.2	140.8	158.7	-50.7	-51.7	0	0	0	114.8
400	T	22	Very low	22.5	Very low	121 Å²	121	152 Å²	152	74%	0.742	74%	0.738	S	S	*	*			cis	-166	147.7	16.4	-13.4	0	0	0	0	108.5	L402	T400-L402 PolarHBondContact O-N 3.38Å
401	E	19.8	Very low	22.2	Very low	152 Å²	152	156.3 Å²	156.3	71%	0.71	76%	0.758	S	S	*	*			trans	-40.5	121.6	170.1	-162.6	-172.2	161.3	0	0	113.2	R403	E401-R403 IonicContact OE1-CZ 3.15Å; E401-R403 IonicContact OE1-NE 3.52Å; E401-R403 PolarHBondContact OE1-NE 3.37Å; E401-R403 IonicContact OE1-NH2 3.67Å; E401-R403 PolarHBondContact OE1-NH2 2.89Å
402	L	21.7	Very low	22.1	Very low	139 Å²	139	155.4 Å²	155.4	73%	0.728	77%	0.766	S	S	*	*			trans	-114.8	116.7	172.8	-98.4	154.5	0	0	0	109.5	T400	T400-L402 PolarHBondContact O-N 3.38Å
403	R	19.6	Very low	22	Very low	182 Å²	182	155.3 Å²	155.3	69%	0.687	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-91.4	116.9	174.3	-65.2	-179.9	-176.3	-178.4	0.4	108.7	E401	E401-R403 IonicContact OE1-CZ 3.15Å; E401-R403 IonicContact OE1-NE 3.52Å; E401-R403 PolarHBondContact OE1-NE 3.37Å; E401-R403 IonicContact OE1-NH2 3.67Å; E401-R403 PolarHBondContact OE1-NH2 2.89Å
404	I	21.3	Very low	22	Very low	144 Å²	144	157.3 Å²	157.3	74%	0.738	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-102.2	121.4	-174.8	-58.8	174.1	0	0	0	109.1
405	Y	21	Very low	22.2	Very low	203 Å²	203	156 Å²	156	80%	0.796	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-100.3	136.6	173.1	-73.4	-90	0	0	0	110.1
406	L	21	Very low	22.1	Very low	149 Å²	149	154.5 Å²	154.5	78%	0.78	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-72.1	131.1	176	-63.5	161.9	0	0	0	109.9
407	S	21.7	Very low	22.1	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	76%	0.764	S	S	*	*			trans	-138.2	122.8	146.5	83.3	0	0	0	0	109.7
408	G	20.9	Very low	22.1	Very low	67 Å²	67	149.3 Å²	149.3	69%	0.691	76%	0.761	S	S	*	*			trans	-77.2	146.2	174	0	0	0	0	0	111.1
409	L	21	Very low	22.2	Very low	139 Å²	139	145.2 Å²	145.2	73%	0.728	76%	0.76	S	S	*	*	S	Bend	trans	61.9	127.3	153	-68.3	160.2	0	0	0	118.3	L362 N411	L362-L409 HydrophobicContact CD1-CD1 4.02Å; L409-N411 PolarHBondContact O-N 3.21Å; L409-N411 VanDerWaalsContact O-N 3.12Å
410	R	24.5	Very low	22.2	Very low	238 Å²	238	145 Å²	145	90%	0.898	76%	0.764	S	S	*	*			trans	-26.7	110.3	166.5	-75.8	177.6	171.1	179.2	-1.7	112.9
411	N	23.2	Very low	22.2	Very low	157 Å²	157	147 Å²	147	84%	0.84	77%	0.77	S	S	*	*			trans	-159.3	73.4	149.3	-88.6	-30.6	0	0	0	108.2	L409 D413	L409-N411 PolarHBondContact O-N 3.21Å; L409-N411 VanDerWaalsContact O-N 3.12Å; N411-D413 PolarHBondContact O-N 2.9Å
412	V	23.4	Very low	22.4	Very low	105 Å²	105	150.8 Å²	150.8	64%	0.636	78%	0.778	S	S	*	*			trans	-88.6	94	165.2	176.5	0	0	0	0	107.6	F414	V412-F414 HydrophobicContact CB-CD2 3.87Å; V412-F414 HydrophobicContact CB-CE2 3.91Å; V412-F414 HydrophobicContact CG1-CB 4.07Å; V412-F414 HydrophobicContact CG1-CD2 3.04Å; V412-F414 HydrophobicContact CG1-CE2 3.57Å; V412-F414 HydrophobicContact CG1-CG 3.75Å; V412-F414 HydrophobicContact CG2-CD2 3.78Å; V412-F414 HydrophobicContact CG2-CE2 3.27Å; V412-F414 HydrophobicContact CG2-CZ 3.94Å
413	D	23	Very low	22.4	Very low	147 Å²	147	154.4 Å²	154.4	79%	0.786	78%	0.784	S	S	*	*			trans	-116.3	68.9	143.4	-141.2	-5.7	0	0	0	106.3	N411 N415	N411-D413 PolarHBondContact O-N 2.9Å; D413-N415 PolarHBondContact O-N 2.63Å
414	F	24.8	Very low	22.7	Very low	148 Å²	148	152.8 Å²	152.8	65%	0.649	79%	0.788	S	S	*	*			trans	-71	74.8	-177.5	-74.7	-54.9	0	0	0	110.5	V412 Q416	V412-F414 HydrophobicContact CB-CD2 3.87Å; V412-F414 HydrophobicContact CB-CE2 3.91Å; V412-F414 HydrophobicContact CG1-CB 4.07Å; V412-F414 HydrophobicContact CG1-CD2 3.04Å; V412-F414 HydrophobicContact CG1-CE2 3.57Å; V412-F414 HydrophobicContact CG1-CG 3.75Å; V412-F414 HydrophobicContact CG2-CD2 3.78Å; V412-F414 HydrophobicContact CG2-CE2 3.27Å; V412-F414 HydrophobicContact CG2-CZ 3.94Å; F414-Q416 VanDerWaalsContact C-N 3.31Å
415	N	25.5	Very low	22.9	Very low	146 Å²	146	155 Å²	155	78%	0.781	79%	0.792	S	S	*	*			trans	-89.7	8.2	166.4	-89	-29.1	0	0	0	113.8	D413	D413-N415 PolarHBondContact O-N 2.63Å
416	Q	23.5	Very low	23.1	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.822	80%	0.798	S	S	*	*			trans	-135.3	87.8	166.9	-77.9	-176.1	-7.5	0	0	111	F414 V418	F414-Q416 VanDerWaalsContact C-N 3.31Å; Q416-V418 PolarHBondContact O-N 3.07Å
417	T	23.1	Very low	23.4	Very low	133 Å²	133	159 Å²	159	82%	0.816	80%	0.801	S	S	*	*			trans	-65.5	112.8	161.4	28.6	0	0	0	0	109.7	A419	T417-A419 PolarHBondContact O-N 2.82Å
418	V	21.9	Very low	23.8	Very low	124 Å²	124	158 Å²	158	75%	0.752	79%	0.792	S	S	*	*			trans	-65	115.9	167.6	179.2	0	0	0	0	108	Q416 L420	Q416-V418 PolarHBondContact O-N 3.07Å; V418-L420 PolarHBondContact O-N 3.18Å; V418-L420 VanDerWaalsContact O-N 3.11Å
419	A	21.9	Very low	24.2	Very low	94 Å²	94	160.5 Å²	160.5	78%	0.777	80%	0.796	S	S	*	*			trans	-70.2	105.3	175.7	0	0	0	0	0	109.1	T417	T417-A419 PolarHBondContact O-N 2.82Å
420	L	21.8	Very low	24.8	Very low	159 Å²	159	163.5 Å²	163.5	83%	0.832	80%	0.803	S	S	*	*			trans	-70.7	128.9	172.1	-67.7	168.2	0	0	0	109.6	V418 R422	V418-L420 PolarHBondContact O-N 3.18Å; V418-L420 VanDerWaalsContact O-N 3.11Å; L420-R422 PolarHBondContact O-N 2.8Å
421	D	22.2	Very low	25.4	Very low	164 Å²	164	159.6 Å²	159.6	88%	0.877	80%	0.8	S	S	*	*			trans	-58	126.2	-177.9	-87.5	-38.1	0	0	0	111.6	Y423	D421-Y423 PolarHBondContact O-N 3.1Å
422	R	23.3	Very low	25.7	Very low	231 Å²	231	160.9 Å²	160.9	87%	0.872	80%	0.801	S	S	*	*			trans	-62.7	106.7	175.4	-96.7	-177	174.9	174.1	0.5	109.7	L420 N424	L420-R422 PolarHBondContact O-N 2.8Å; R422-N424 PolarHBondContact O-N 3.03Å
423	Y	22.3	Very low	26.2	Very low	215 Å²	215	162.4 Å²	162.4	84%	0.843	81%	0.811	S	S	*	*			trans	-61.5	106.2	162.9	-160.8	-94.5	0	0	0	109.2	D421 K425	D421-Y423 PolarHBondContact O-N 3.1Å; Y423-K425 PolarHBondContact O-N 2.81Å
424	N	24.9	Very low	26.4	Very low	147 Å²	147	162.1 Å²	162.1	79%	0.786	81%	0.809	S	S	*	*			trans	-67.3	98	174.9	-81.3	-40.2	0	0	0	109	R422 R426	R422-N424 PolarHBondContact O-N 3.03Å; N424-R426 PolarHBondContact O-N 3.12Å
425	K	27.1	Very low	26.8	Very low	190 Å²	190	164.5 Å²	164.5	83%	0.826	82%	0.819	S	S	*	*			trans	-49.2	114.5	169	-77.5	-173.5	176.2	-177.2	0	108.8	Y423 K427	Y423-K425 PolarHBondContact O-N 2.81Å; K425-K427 PolarHBondContact O-N 3.49Å; K425-K427 VanDerWaalsContact O-N 3.08Å
426	R	24.5	Very low	26.8	Very low	241 Å²	241	161.8 Å²	161.8	91%	0.909	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-53.2	116.8	168.4	-77	-178	174.9	-177.9	-1.1	107.2	N424	N424-R426 PolarHBondContact O-N 3.12Å
427	K	28.1	Very low	27.1	Very low	196 Å²	196	162.5 Å²	162.5	85%	0.852	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.5	125.6	172.5	-82.5	-179.8	177.9	174.4	0	107.5	K425	K425-K427 PolarHBondContact O-N 3.49Å; K425-K427 VanDerWaalsContact O-N 3.08Å
428	P	29.3	Very low	27.6	Very low	100 Å²	100	162 Å²	162	65%	0.649	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.2	145.8	174.3	26.2	-30.8	0	0	0	108.9	K430	P428-K430 PolarHBondContact O-N 2.6Å; P428-K430 VanDerWaalsContact O-N 3.12Å
429	P	28.9	Very low	28	Very low	121 Å²	121	165.9 Å²	165.9	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-61.4	118.7	174	-1.7	15.5	0	0	0	107.1	D431	P429-D431 PolarHBondContact O-N 3.41Å
430	K	34.6	Very low	28.4	Very low	202 Å²	202	169.2 Å²	169.2	88%	0.878	82%	0.819	S	S	*	*			trans	-82.2	101.9	168.3	-83.9	-169.1	173.5	-171.6	0	106.8	P428 E432	P428-K430 PolarHBondContact O-N 2.6Å; P428-K430 VanDerWaalsContact O-N 3.12Å; K430-E432 PolarHBondContact O-N 3.18Å
431	D	35.6	Very low	28.7	Very low	155 Å²	155	164.4 Å²	164.4	83%	0.829	81%	0.809	S	S	*	*			trans	-51.7	136.8	164.1	-81.7	-36.1	0	0	0	110.3	P429	P429-D431 PolarHBondContact O-N 3.41Å
432	E	31.1	Very low	29.2	Very low	185 Å²	185	166.5 Å²	166.5	86%	0.864	81%	0.81	S	S	*	*			trans	-56.7	129.4	175.8	-63.9	176	138.7	0	0	110.5	K430	K430-E432 PolarHBondContact O-N 3.18Å
433	T	32.1	Very low	29.7	Very low	137 Å²	137	163.6 Å²	163.6	84%	0.84	81%	0.811	S	S	*	*			trans	-169.9	89.9	139.6	15.4	0	0	0	0	108.9
434	D	28.9	Very low	30.1	Very low	140 Å²	140	164.6 Å²	164.6	75%	0.749	81%	0.813	S	S	*	*				43.6	99.9	122.1	-147.8	9.9	0	0	0	117.4
435	K	31.7	Very low	30.6	Very low	198 Å²	198	169.6 Å²	169.6	86%	0.861	82%	0.821	S	S	*	*				-171.9	99.7	129.1	-97.2	153	-165.4	179.9	0	110.6
436	S	27.3	Very low	30.8	Very low	90 Å²	90	171 Å²	171	63%	0.629	83%	0.827	S	S	*	*			trans	-37.5	150.4	155.1	60.8	0	0	0	0	113.8
437	K	29.2	Very low	31.1	Very low	190 Å²	190	171.1 Å²	171.1	83%	0.826	83%	0.827	S	S	*	*			trans	85	111.7	170	-50.7	169.2	-176.1	177.3	0	111.7
438	V	32.9	Very low	31.2	Very low	123 Å²	123	170.9 Å²	170.9	75%	0.745	83%	0.826	S	S	*	*				-149.6	124.2	63.8	174.2	0	0	0	0	111.1	L440	V438-L440 HydrophobicContact CG1-CD1 4.13Å; V438-L440 PolarHBondContact O-N 3.49Å
439	K	29.6	Very low	31.4	Very low	206 Å²	206	178 Å²	178	90%	0.896	84%	0.84	S	S	*	*			trans	-67.7	115.7	162.3	-77.6	176.1	174.7	173.9	0	109
440	L	32.1	Very low	31.7	Very low	163 Å²	163	184.4 Å²	184.4	85%	0.853	85%	0.849	S	S	*	*			trans	-134.4	88	157.5	-108.7	147.8	0	0	0	108	V438	V438-L440 HydrophobicContact CG1-CD1 4.13Å; V438-L440 PolarHBondContact O-N 3.49Å
441	G	27.8	Very low	31.8	Very low	59 Å²	59	183.2 Å²	183.2	61%	0.608	85%	0.846	S	S	*	*			trans	-71.2	148.3	176.5	0	0	0	0	0	112.6
442	K	31.2	Very low	31.7	Very low	207 Å²	207	185.5 Å²	185.5	90%	0.9	85%	0.849	S	S	*	*			trans	52.9	90.9	136.3	-61.4	-177.5	178.1	178	0	117.2
443	L	34.2	Very low	31.8	Very low	170 Å²	170	181.5 Å²	181.5	89%	0.89	85%	0.847	S	S	*	*			trans	-144.6	82.8	150.8	-97.4	147	0	0	0	107.6
444	R	31.4	Very low	31.9	Very low	236 Å²	236	185.6 Å²	185.6	89%	0.891	85%	0.853	S	S	*	*				61.9	85.2	80.7	-159.7	-177.9	-176.9	-176.1	0.9	112.7
445	R	35.6	Very low	31.8	Very low	253 Å²	253	183.3 Å²	183.3	96%	0.955	85%	0.854	S	S	*	*			trans	-165.9	54.4	152.7	-109.2	170.1	-173.1	-178.8	3	113.2
446	K	31.1	Very low	31.8	Very low	218 Å²	218	178.8 Å²	178.8	95%	0.948	85%	0.854	S	S	*	*			trans	-84.2	127.3	151.3	-93.4	-175.2	176.1	179	0	107.7
447	R	30.1	Very low	31.8	Very low	244 Å²	244	179.9 Å²	179.9	92%	0.921	87%	0.868	S	S	*	*			trans	125.6	125.1	156.2	-154.1	172.4	-169.3	-179.3	2.7	113.3
448	K	31.3	Very low	31.5	Very low	192 Å²	192	173.7 Å²	173.7	84%	0.835	86%	0.858	S	S	*	*			trans	90.6	78.1	174.1	-70.3	-169.4	168.8	-173.5	0	118.1
449	R	33.3	Very low	31.1	Very low	250 Å²	250	179.9 Å²	179.9	94%	0.943	87%	0.868	S	S	*	*			trans	-152.6	31	137.5	-112.4	179.4	-173.7	-167.4	1.7	113.2	E451	R449-E451 PolarHBondContact O-N 2.83Å; R449-E451 VanDerWaalsContact O-N 3.13Å
450	R	35	Very low	31	Very low	255 Å²	255	174.7 Å²	174.7	96%	0.962	86%	0.864	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	37.8	176.8	-142.2	-178.6	-170.1	-169.8	2.4	112.3
451	E	37.2	Very low	30.7	Very low	176 Å²	176	172.8 Å²	172.8	82%	0.822	86%	0.861	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	14.6	-170	-108.6	177.2	-170.6	0	0	116	R449	R449-E451 PolarHBondContact O-N 2.83Å; R449-E451 VanDerWaalsContact O-N 3.13Å
452	K	33.6	Very low	30.5	Very low	204 Å²	204	172.9 Å²	172.9	89%	0.887	86%	0.863	S	S	*	*	S	Bend	trans	-134.8	19.9	-177.5	-90.4	-164.5	175.5	-170.8	0	118.8
453	A	32.9	Very low	30.2	Very low	101 Å²	101	171 Å²	171	84%	0.835	86%	0.862	S	S	*	*	S	Bend	trans	-126.4	21.4	173.9	0	0	0	0	0	114.1
454	K	32.5	Very low	29.8	Very low	222 Å²	222	170.1 Å²	170.1	97%	0.965	86%	0.856	S	S	*	*	S	Bend	trans	-107.7	29.3	175	-109.1	-169.5	-179	-171.3	0	113.4
455	A	27.8	Very low	29.4	Very low	92 Å²	92	170 Å²	170	76%	0.76	86%	0.856	S	S	*	*	S	Bend	trans	-134.6	130	171.7	0	0	0	0	0	108.3
456	A	31.3	Very low	29	Very low	104 Å²	104	168.2 Å²	168.2	86%	0.86	86%	0.855	S	S	*	*			trans	93.5	45.8	-178.5	0	0	0	0	0	116.7
457	A	27.2	Very low	28.9	Very low	113 Å²	113	162.4 Å²	162.4	93%	0.934	85%	0.847	S	S	*	*			trans	-73.1	112.8	134.4	0	0	0	0	0	106.9
458	G	23.6	Very low	28.8	Very low	59 Å²	59	156.9 Å²	156.9	61%	0.608	84%	0.843	S	S	*	*			trans	-161.2	138.1	176.5	0	0	0	0	0	108.8
459	W	23.9	Very low	28.5	Very low	253 Å²	253	151 Å²	151	96%	0.958	84%	0.837	S	S	*	*			trans	96.6	75.3	174.5	-59.2	75.7	0	0	0	115.7
460	A	27.5	Very low	28.1	Very low	97 Å²	97	147.8 Å²	147.8	80%	0.802	83%	0.833	S	S	*	*			trans	-71.7	140.8	140.4	0	0	0	0	0	110.2
461	P	26.3	Very low	27.8	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	83%	0.828	S	S	*	*			trans	-131.3	117	137.1	32.9	-18.5	0	0	0	107.7
462	G	23.4	Very low	27.4	Very low	62 Å²	62	138.1 Å²	138.1	64%	0.639	82%	0.82	S	S	*	*				101.4	116.4	66.4	0	0	0	0	0	108.9
463	L	25.1	Very low	27	Very low	168 Å²	168	136.4 Å²	136.4	88%	0.88	82%	0.818	S	S	*	*			trans	77	132	162.9	-52.5	150.8	0	0	0	113.4
464	I	25.3	Very low	26.9	Very low	150 Å²	150	137.6 Å²	137.6	77%	0.769	81%	0.814	S	S	*	*				-157.4	126.7	53.3	-72	168.5	0	0	0	110.1
465	R	24.5	Very low	26.8	Very low	235 Å²	235	136.1 Å²	136.1	89%	0.887	81%	0.811	S	S	*	*			trans	21.6	109.5	144.4	-61.9	175.9	175.8	173.7	-2.2	119
466	K	26.8	Very low	27	Very low	215 Å²	215	139.1 Å²	139.1	94%	0.935	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.1	135.3	153.1	-94.8	-176.5	175.7	-178.7	0	110.6
467	A	27.5	Very low	26.9	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.7	164.3	179.6	0	0	0	0	0	112.9
468	P	28.6	Very low	26.9	Very low	128 Å²	128	144.1 Å²	144.1	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.8	159.8	-159.4	36.5	-32.1	0	0	0	113.6
469	G	25.6	Very low	27.1	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	81%	0.805	S	S	*	*			trans	103.3	65.3	146	0	0	0	0	0	115.8	P471	G469-P471 WeakPolarHBondContact O-CD 3.39Å
470	Q	24.7	Very low	27.5	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	80%	0.801	S	S	*	*			trans	-64.3	127.8	152.4	-84.8	175.3	-59.5	0	0	109.6	S472	Q470-S472 PolarHBondContact O-N 2.68Å
471	P	29.2	Very low	27.5	Very low	132 Å²	132	144.1 Å²	144.1	86%	0.857	80%	0.798	S	S	*	*			trans	-71.6	114.3	146.9	-3.3	21.7	0	0	0	107.1	G469	G469-P471 WeakPolarHBondContact O-CD 3.39Å
472	S	27.9	Very low	27.6	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	80%	0.803	S	S	*	*			trans	-80.5	144.6	-179.6	63	0	0	0	0	112	Q470	Q470-S472 PolarHBondContact O-N 2.68Å
473	M	25.9	Very low	28	Very low	169 Å²	169	151.7 Å²	151.7	83%	0.833	82%	0.816	S	S	*	*			trans	67.7	120.6	156.2	-46.9	-158.4	-26.4	0	0	117.1
474	V	30.4	Very low	28.2	Very low	126 Å²	126	149.7 Å²	149.7	76%	0.764	81%	0.812	S	S	*	*				-147.7	124.6	86.2	177.5	0	0	0	0	107.4	E476	V474-E476 HydrophobicContact CG1-CG 4.46Å; V474-E476 PolarHBondContact O-N 2.84Å
475	E	30.5	Very low	28.3	Very low	190 Å²	190	145.8 Å²	145.8	89%	0.888	81%	0.81	S	S	*	*			trans	-67.5	109.8	166.2	-67.1	174.5	153.1	0	0	107.8
476	E	31.7	Very low	28.5	Very low	155 Å²	155	143.7 Å²	143.7	72%	0.724	81%	0.81	S	S	*	*			trans	-111.8	95.8	158	-87.3	-170.5	161.7	0	0	107.6	V474 I478	V474-E476 HydrophobicContact CG1-CG 4.46Å; V474-E476 PolarHBondContact O-N 2.84Å; E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 HydrophobicContact CB-CD1 4.3Å; E476-I478 HydrophobicContact CB-CG1 4.25Å; E476-I478 PolarHBondContact O-N 3.1Å
477	E	28.3	Very low	28.5	Very low	198 Å²	198	142.2 Å²	142.2	93%	0.925	81%	0.806	S	S	*	*			trans	-57.5	94.5	156.8	-78.4	-176.4	143.9	0	0	108.1
478	I	28.6	Very low	28.7	Very low	124 Å²	124	144.5 Å²	144.5	64%	0.636	81%	0.805	S	S	*	*			trans	-118.2	100.6	163.7	-55.9	174.2	0	0	0	106.5	E476 E480	E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 HydrophobicContact CB-CD1 4.3Å; E476-I478 HydrophobicContact CB-CG1 4.25Å; E476-I478 PolarHBondContact O-N 3.1Å; I478-E480 PolarHBondContact O-N 2.98Å
479	S	28.2	Very low	28.7	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	81%	0.806	S	S	*	*			trans	-39.1	117.4	168.1	49.4	0	0	0	0	111.9
480	E	30.4	Very low	28.9	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	81%	0.807	S	S	*	*			trans	-58.3	125	169.1	-73.8	178.8	150.9	0	0	110.2	I478 L482	I478-E480 PolarHBondContact O-N 2.98Å; E480-L482 PolarHBondContact O-N 3.03Å
481	P	28.6	Very low	29.2	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	81%	0.806	S	S	*	*			trans	-75.5	125.3	169.9	29.1	-28	0	0	0	109.2	L483	P481-L483 PolarHBondContact O-N 2.87Å; P481-L483 VanDerWaalsContact O-N 3.1Å
482	L	29	Very low	29.4	Very low	171 Å²	171	148.7 Å²	148.7	90%	0.895	80%	0.8	S	S	*	*			trans	-49.8	112.5	167	-70.5	159.2	0	0	0	109.4	E480 P484	E480-L482 PolarHBondContact O-N 3.03Å; L482-P484 VanDerWaalsContact O-CD 3.28Å; L482-P484 WeakPolarHBondContact O-CD 3.06Å
483	L	31.6	Very low	29.3	Very low	173 Å²	173	150.7 Å²	150.7	91%	0.906	80%	0.803	S	S	*	*			trans	-67.5	117.6	172.3	-79.1	161.5	0	0	0	109.2	P481	P481-L483 PolarHBondContact O-N 2.87Å; P481-L483 VanDerWaalsContact O-N 3.1Å
484	P	28.6	Very low	29.6	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	79%	0.794	S	S	*	*			trans	-90.6	141.7	174.8	33.9	-26.3	0	0	0	110.3	L482	L482-P484 VanDerWaalsContact O-CD 3.28Å; L482-P484 WeakPolarHBondContact O-CD 3.06Å
485	G	27.8	Very low	29.6	Very low	69 Å²	69	149.1 Å²	149.1	71%	0.711	79%	0.792	S	S	*	*			trans	123.9	75.5	160.9	0	0	0	0	0	113.9	Q487	G485-Q487 VanDerWaalsContact C-N 3.32Å; G485-Q487 PolarHBondContact O-N 2.78Å
486	E	27.9	Very low	29.8	Very low	190 Å²	190	146.8 Å²	146.8	89%	0.888	79%	0.785	S	S	*	*			trans	-56.1	98.6	148.6	-67.4	175.2	151.5	0	0	107.8	L488	E486-L488 PolarHBondContact O-N 3.38Å
487	Q	27.3	Very low	30	Very low	185 Å²	185	148 Å²	148	86%	0.864	79%	0.791	S	S	*	*			trans	-82.8	97.6	161.7	-80.2	-177.9	-11.1	0	0	107	G485 L489	G485-Q487 VanDerWaalsContact C-N 3.32Å; G485-Q487 PolarHBondContact O-N 2.78Å; Q487-L489 PolarHBondContact O-N 3.41Å
488	L	30.8	Very low	30.3	Very low	143 Å²	143	146.3 Å²	146.3	75%	0.749	79%	0.788	S	S	*	*			trans	-49.7	122.4	160.3	-86.5	126.1	0	0	0	108.2	E486 D490	E486-L488 PolarHBondContact O-N 3.38Å; L488-D490 PolarHBondContact O-N 3.27Å
489	L	29.6	Very low	30.5	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	79%	0.786	S	S	*	*			trans	-64.7	89.3	166.8	-77	117.6	0	0	0	107.8	Q487 D491	Q487-L489 PolarHBondContact O-N 3.41Å; L489-D491 PolarHBondContact O-N 3Å
490	D	29.9	Very low	30.7	Very low	140 Å²	140	148.4 Å²	148.4	75%	0.749	79%	0.791	S	S	*	*			trans	-68.5	120.5	166.5	-78.4	-28.4	0	0	0	108.7	L488 I492	L488-D490 PolarHBondContact O-N 3.27Å; D490-I492 PolarHBondContact O-N 3.27Å
491	D	31.7	Very low	30.9	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	78%	0.784	S	S	*	*			trans	-1.2	99.6	162.7	-63.3	-35.9	0	0	0	116	L489 N493	L489-D491 PolarHBondContact O-N 3Å; D491-N493 VanDerWaalsContact C-N 3.29Å; D491-N493 PolarHBondContact O-N 2.98Å
492	I	31.9	Very low	31.1	Very low	139 Å²	139	149.6 Å²	149.6	71%	0.713	79%	0.79	S	S	*	*			trans	-68.5	91.1	162.6	-67.9	161.6	0	0	0	107.5	D490 I494	D490-I492 PolarHBondContact O-N 3.27Å; I492-I494 HydrophobicContact CG2-CD1 3.88Å; I492-I494 HydrophobicContact CG2-CG1 3.57Å; I492-I494 PolarHBondContact O-N 3.32Å
493	N	27.5	Very low	31.2	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	79%	0.79	S	S	*	*			trans	-86.1	98.7	171.9	-156.9	25	0	0	0	107.7	D491 D495	D491-N493 VanDerWaalsContact C-N 3.29Å; D491-N493 PolarHBondContact O-N 2.98Å; N493-D495 PolarHBondContact O-N 3.18Å
494	I	31.3	Very low	31.4	Very low	127 Å²	127	146.7 Å²	146.7	65%	0.651	78%	0.784	S	S	*	*			trans	-86.6	106	178.2	-60.2	171.6	0	0	0	107.4	I492 L496	I492-I494 HydrophobicContact CG2-CD1 3.88Å; I492-I494 HydrophobicContact CG2-CG1 3.57Å; I492-I494 PolarHBondContact O-N 3.32Å; I494-L496 PolarHBondContact O-N 3.12Å
495	D	30.1	Very low	31.6	Very low	135 Å²	135	149.2 Å²	149.2	72%	0.722	79%	0.785	S	S	*	*			trans	-67.2	118	172.3	-77.1	-36.7	0	0	0	109.7	N493 E497	N493-D495 PolarHBondContact O-N 3.18Å; D495-E497 VanDerWaalsContact C-N 3.28Å; D495-E497 PolarHBondContact O-N 3.12Å
496	L	35.7	Very low	31.9	Very low	140 Å²	140	151.3 Å²	151.3	73%	0.733	79%	0.789	S	S	*	*			trans	-86.9	28.3	-172.4	-92.6	156.7	0	0	0	113.7	I494 L499	I494-L496 PolarHBondContact O-N 3.12Å; L496-L499 HydrophobicContact CD2-CD1 4Å
497	E	35.2	Very low	32	Very low	182 Å²	182	148.5 Å²	148.5	85%	0.85	79%	0.785	S	S	*	*			trans	-89.9	-1.6	-175.8	-71.5	-167.5	164.3	0	0	115.3	D495	D495-E497 VanDerWaalsContact C-N 3.28Å; D495-E497 PolarHBondContact O-N 3.12Å
498	D	34	Very low	32.1	Very low	161 Å²	161	148.5 Å²	148.5	86%	0.861	79%	0.785	S	S	*	*			trans	-101.9	22.9	-177.6	-77	-20.2	0	0	0	115.2
499	L	32.8	Very low	32.1	Very low	112 Å²	112	147.4 Å²	147.4	59%	0.586	79%	0.785	S	S	*	*			trans	-102.6	71.9	175.2	-69.4	172.7	0	0	0	111.6	L496 F501	L496-L499 HydrophobicContact CD2-CD1 4Å; L499-F501 HydrophobicContact CB-CD2 4Å; L499-F501 HydrophobicContact CB-CE2 3.66Å; L499-F501 HydrophobicContact CD1-CE2 4.18Å; L499-F501 HydrophobicContact CD2-CE2 4.38Å; L499-F501 HydrophobicContact CG-CE2 4.29Å; L499-F501 WeakPolarHBondContact O-CD2 3.43Å; L499-F501 PolarHBondContact O-N 2.96Å; L499-F501 VanDerWaalsContact O-N 3.09Å
500	D	32.4	Very low	32.1	Very low	164 Å²	164	145 Å²	145	88%	0.877	78%	0.781	S	S	*	*			trans	-68	96.8	165.8	-88.4	-27.2	0	0	0	109.7	D502	D500-D502 PolarHBondContact O-N 3.13Å
501	F	34.6	Very low	32.1	Very low	165 Å²	165	146.6 Å²	146.6	72%	0.724	79%	0.786	S	S	*	*			trans	-88.1	99.1	174.8	-79.7	-83.7	0	0	0	110.6	L499 L503	L499-F501 HydrophobicContact CB-CD2 4Å; L499-F501 HydrophobicContact CB-CE2 3.66Å; L499-F501 HydrophobicContact CD1-CE2 4.18Å; L499-F501 HydrophobicContact CD2-CE2 4.38Å; L499-F501 HydrophobicContact CG-CE2 4.29Å; L499-F501 WeakPolarHBondContact O-CD2 3.43Å; L499-F501 PolarHBondContact O-N 2.96Å; L499-F501 VanDerWaalsContact O-N 3.09Å; F501-L503 PolarHBondContact O-N 2.91Å; F501-L503 VanDerWaalsContact O-N 3.07Å
502	D	33.4	Very low	32.2	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	78%	0.781	S	S	*	*			trans	-66.9	103	170	-96.5	-28.6	0	0	0	110.8	D500 S504	D500-D502 PolarHBondContact O-N 3.13Å; D502-S504 PolarHBondContact O-N 3.45Å
503	L	32	Very low	31.9	Very low	170 Å²	170	144.3 Å²	144.3	89%	0.89	79%	0.789	S	S	*	*			trans	-76.8	95.5	170.3	-73.5	160.1	0	0	0	109.4	F501	F501-L503 PolarHBondContact O-N 2.91Å; F501-L503 VanDerWaalsContact O-N 3.07Å
504	S	35.5	Very low	32	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	80%	0.795	S	S	*	*			trans	-110	96.9	166.3	48.7	0	0	0	0	111.2	D502	D502-S504 PolarHBondContact O-N 3.45Å
505	E	33.4	Very low	31.8	Very low	178 Å²	178	147.7 Å²	147.7	83%	0.832	81%	0.808	S	S	*	*			trans	33.7	107.7	144.7	-66.2	-176.8	155.3	0	0	119.9	T507	E505-T507 PolarHBondContact O-N 3.14Å
506	S	32.6	Very low	31.8	Very low	114 Å²	114	144.7 Å²	144.7	80%	0.797	81%	0.809	S	S	*	*			trans	-40.9	118.7	153.1	50.4	0	0	0	0	113.7
507	T	30.3	Very low	31.4	Very low	130 Å²	130	146.4 Å²	146.4	80%	0.798	82%	0.818	S	S	*	*			trans	-105.1	96.3	162	-11.1	0	0	0	0	108.9	E505 T509	E505-T507 PolarHBondContact O-N 3.14Å; T507-T509 PolarHBondContact O-N 3.12Å
508	E	30.1	Very low	31.3	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.864	81%	0.814	S	S	*	*			trans	-60.1	120.3	164.7	-66.2	-179.9	156.9	0	0	108.8
509	T	31.1	Very low	31	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	81%	0.809	S	S	*	*			trans	-123.1	87.4	166.4	-37.9	0	0	0	0	108.5	T507	T507-T509 PolarHBondContact O-N 3.12Å
510	S	28.1	Very low	30.8	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	82%	0.824	S	S	*	*			trans	-68.9	122.1	158.5	54.6	0	0	0	0	108.8
511	M	31.5	Very low	30.6	Very low	175 Å²	175	143.1 Å²	143.1	86%	0.862	82%	0.821	S	S	*	*			trans	-136.3	126.2	154.9	-80.4	-163.3	76.6	0	0	110.5
512	S	32.9	Very low	30.3	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	82%	0.822	S	S	*	*			trans	-72	148.2	-173.5	34.1	0	0	0	0	113.3
513	T	25.3	Very low	30.2	Very low	142 Å²	142	141.4 Å²	141.4	87%	0.871	82%	0.818	S	S	*	*			trans	-48.8	120.8	162.5	18.3	0	0	0	0	112.6
514	E	30.6	Very low	30.2	Very low	189 Å²	189	142 Å²	142	88%	0.883	82%	0.816	S	S	*	*			trans	-117	115.4	156.4	-81.9	-172	160.6	0	0	108.9
515	T	27.3	Very low	30.1	Very low	148 Å²	148	146 Å²	146	91%	0.908	82%	0.823	S	S	*	*			trans	-58.8	124.8	161.2	37.9	0	0	0	0	110.4
516	G	28.6	Very low	29.9	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	82%	0.822	S	S	*	*			trans	-138.5	100.5	171.2	0	0	0	0	0	110	A518	G516-A518 PolarHBondContact O-N 3.13Å
517	D	27.9	Very low	29.7	Very low	176 Å²	176	149.8 Å²	149.8	94%	0.941	83%	0.828	S	S	*	*			trans	-45.4	126.9	162.9	-94	-40.5	0	0	0	111.4
518	A	32.2	Very low	29.6	Very low	92 Å²	92	147.2 Å²	147.2	76%	0.76	83%	0.826	S	S	*	*			trans	-141.5	94.4	156.4	0	0	0	0	0	107.6	G516	G516-A518 PolarHBondContact O-N 3.13Å
519	G	27.6	Very low	29.5	Very low	73 Å²	73	145 Å²	145	75%	0.753	83%	0.826	S	S	*	*			trans	-61.8	137.4	171	0	0	0	0	0	111.3
520	Y	30.2	Very low	29.6	Very low	231 Å²	231	147.8 Å²	147.8	91%	0.906	83%	0.831	S	S	*	*			trans	-122.1	104.5	153.6	-102.2	-92.3	0	0	0	106.9
521	L	26.4	Very low	29.7	Very low	155 Å²	155	150.5 Å²	150.5	81%	0.812	83%	0.831	S	S	*	*			trans	-78.7	166.5	158.1	-87.5	149.9	0	0	0	108.6
522	I	29.3	Very low	29.6	Very low	145 Å²	145	150.2 Å²	150.2	74%	0.744	83%	0.832	S	S	*	*			trans	93.7	124.1	164.3	-52.2	172.4	0	0	0	112.5
523	D	31.3	Very low	29.4	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	83%	0.829	S	S	*	*			cis	-154.1	154.3	0.1	-102.8	-16.9	0	0	0	108.6
524	E	32.9	Very low	29.6	Very low	182 Å²	182	152 Å²	152	85%	0.85	83%	0.826	S	S	*	*			trans	-62.4	126.9	167.8	-60.1	174.7	153.2	0	0	110.5
525	E	32.7	Very low	29.7	Very low	198 Å²	198	148.9 Å²	148.9	93%	0.925	83%	0.826	S	S	*	*			trans	-120	109.4	150.4	-80.6	-167.5	162.9	0	0	107.9
526	E	28.7	Very low	29.8	Very low	175 Å²	175	145 Å²	145	82%	0.818	82%	0.816	S	S	*	*			trans	-64.2	170.2	167.7	-73.3	-179.6	127.9	0	0	112.3
527	E	28.7	Very low	30.1	Very low	196 Å²	196	150.2 Å²	150.2	92%	0.916	82%	0.823	S	S	*	*			trans	99.8	102.2	158.7	-58.8	-165.7	157.3	0	0	117.1
528	G	29.3	Very low	31	Very low	75 Å²	75	147.7 Å²	147.7	77%	0.773	81%	0.814	S	S	*	*			trans	169.1	35.7	164.9	0	0	0	0	0	114.8	E530	G528-E530 PolarHBondContact O-N 3.32Å
529	T	27.8	Very low	31.7	Very low	140 Å²	140	151 Å²	151	86%	0.859	81%	0.814	S	S	*	*			trans	-70.1	102.3	167.6	40.1	0	0	0	0	109.7
530	E	32.1	Very low	32.6	Very low	179 Å²	179	155.6 Å²	155.6	84%	0.836	82%	0.815	S	S	*	*			trans	-101.8	95	155.4	-76	-167.1	161.9	0	0	108.6	G528 L532	G528-E530 PolarHBondContact O-N 3.32Å; E530-L532 PolarHBondContact O-N 3.42Å
531	E	29.7	Very low	33.4	Very low	168 Å²	168	150.6 Å²	150.6	79%	0.785	80%	0.804	S	S	*	*			trans	-62.2	107.3	161.3	-74.1	178.6	141.7	0	0	108.9
532	L	31.1	Very low	34.4	Very low	169 Å²	169	146 Å²	146	89%	0.885	79%	0.788	S	S	*	*			trans	-108.4	80	158.4	-79.6	167.4	0	0	0	108.1	E530	E530-L532 PolarHBondContact O-N 3.42Å
533	T	27.7	Very low	35.3	Very low	109 Å²	109	144.5 Å²	144.5	67%	0.669	78%	0.782	S	S	*	*			trans	-77.3	157.1	163.8	41.9	0	0	0	0	111.5
534	E	30.5	Very low	36.1	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	78%	0.776	S	S	*	*			trans	91.1	89.3	168.5	-57.1	-173.6	160.2	0	0	114.9
535	S	31	Very low	36.9	Very low	124 Å²	124	142.1 Å²	142.1	87%	0.867	77%	0.769	S	S	*	*				50.8	85.5	62.5	89.4	0	0	0	0	112.7
536	G	30.3	Very low	37.5	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	76%	0.755	S	S	*	*			trans	-171.4	57	175.5	0	0	0	0	0	112.6
537	M	34	Very low	38.2	Very low	180 Å²	180	136.3 Å²	136.3	89%	0.887	76%	0.755	S	S	*	*	S	Bend	trans	-157.6	18.4	168.6	-118.9	-176	-77.9	0	0	116.3
538	T	48.1	Very low	38.7	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	75%	0.753	S	S	*	*	S	Bend	trans	-119.9	-7.7	-178.9	46	0	0	0	0	116.1
539	E	46.6	Very low	39	Very low	162 Å²	162	135.6 Å²	135.6	76%	0.757	75%	0.75	S	S	*	*	H	α-helix	trans	-86.9	-25.2	177.5	-103.9	-176.7	160	0	0	114.4
540	E	46.4	Very low	39.3	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	75%	0.75	S	S	*	*	H	α-helix	trans	-77.4	-29.1	-177.5	-145.2	171.1	-167.3	0	0	112.3
541	L	46.3	Very low	39.5	Very low	126 Å²	126	136.9 Å²	136.9	66%	0.66	75%	0.751	S	S	*	*	H	α-helix	trans	-76.8	-29.4	176.4	-152.5	75.4	0	0	0	112.4
542	A	47.5	Very low	39.9	Very low	59 Å²	59	134.8 Å²	134.8	49%	0.488	76%	0.756	S	S	.	*	H	α-helix	trans	-72.6	-31.9	178.8	0	0	0	0	0	112.7
543	N	49.8	Very low	39.9	Very low	113 Å²	113	133.2 Å²	133.2	60%	0.604	75%	0.753	S	S	*	*	H	α-helix	trans	-80.5	-20	-179.4	-78.9	-28.8	0	0	0	114.2
544	Q	47.3	Very low	40.3	Very low	142 Å²	142	137.2 Å²	137.2	66%	0.664	76%	0.764	S	S	*	*	H	α-helix	trans	-74.7	-29.8	173.6	-80.2	-175.8	-1.1	0	0	112.8	A546	Q544-A546 VanDerWaalsContact C-N 3.35Å
545	I	48.7	Very low	40.6	Very low	136 Å²	136	134.2 Å²	134.2	70%	0.697	76%	0.762	S	S	*	*	H	α-helix	trans	-78.3	-23.2	179.7	-60.9	175.3	0	0	0	111.5
546	A	46.9	Very low	40.6	Very low	76 Å²	76	134.9 Å²	134.9	63%	0.628	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-7.9	-178.4	0	0	0	0	0	115.1	Q544	Q544-A546 VanDerWaalsContact C-N 3.35Å
547	Q	41.6	Very low	41.1	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-3.5	-179.3	-78.8	-170.2	-11.8	0	0	115.7
548	E	40.4	Very low	41.1	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	76%	0.763	S	S	*	*	S	Bend	trans	-104.7	13.6	177.1	-68.3	-166.6	156.9	0	0	114
549	G	34.7	Very low	40.7	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	76%	0.763	S	S	*	*	S	Bend	trans	-102.8	-5.2	-177.6	0	0	0	0	0	117.1
550	E	34.8	Very low	40.1	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	76%	0.764	S	S	*	*			trans	-109.9	76.9	-177.3	-73.2	-171	160	0	0	111.5
551	D	36.8	Very low	39.4	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	77%	0.765	S	S	*	*			trans	-167.5	85.3	152.4	-108	-19	0	0	0	110.7
552	S	36.5	Very low	39.3	Very low	125 Å²	125	142.2 Å²	142.2	87%	0.874	79%	0.794	S	S	*	*			trans	173	67.4	145.7	44.3	0	0	0	0	111.8
553	T	32.7	Very low	38.9	Very low	135 Å²	135	146.4 Å²	146.4	83%	0.828	81%	0.81	S	S	*	*			trans	-103.5	124.3	158.9	44.2	0	0	0	0	109.7
554	E	34.7	Very low	38.3	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	82%	0.821	S	S	*	*			trans	146.3	127.7	154.3	-87.2	-179.9	163.8	0	0	107.4
555	S	36.5	Very low	37.8	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	83%	0.829	S	S	*	*			cis	-160.3	126.5	30.6	52.8	0	0	0	0	110.3
556	T	32	Very low	37.2	Very low	138 Å²	138	149.2 Å²	149.2	85%	0.847	84%	0.837	S	S	*	*			trans	-67.8	132.6	154.3	33.4	0	0	0	0	110.8
557	E	40.6	Very low	36.6	Very low	163 Å²	163	153.8 Å²	153.8	76%	0.762	85%	0.85	S	S	*	*			trans	-141.1	103.7	147.6	-91.8	-158.6	154.7	0	0	110.7	K559	E557-K559 IonicContact OE2-NZ 2.91Å
558	N	33.5	Very low	36.3	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	85%	0.852	S	S	*	*			trans	-60	128.2	152.5	-83.7	-35.3	0	0	0	109.5
559	K	39.7	Very low	36	Very low	175 Å²	175	149.9 Å²	149.9	76%	0.761	85%	0.851	S	S	*	*			trans	-134.1	101.7	148.5	-84.3	-176	-180	141.2	0	110.5	E557	E557-K559 IonicContact OE2-NZ 2.91Å
560	S	34.1	Very low	36.1	Very low	110 Å²	110	156 Å²	156	77%	0.769	86%	0.861	S	S	*	*			trans	-59.4	149	157.3	42.8	0	0	0	0	112.8
561	A	32.9	Very low	36.2	Very low	98 Å²	98	153.8 Å²	153.8	81%	0.81	86%	0.862	S	S	*	*			trans	69.7	102.7	153.4	0	0	0	0	0	118.8
562	E	43.7	Very low	36.1	Very low	275 Å²	275	153 Å²	153	100%	1.285	86%	0.861	S	S	*	*				-157.8	0	115.1	-106	179.4	175.3	0	0	110.6

Retrieved 562 of 562 residues in 697.6 ms (Link to these results)

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