A0A096NQR4_PAPAN Loading...

Leucine-rich repeat-containing protein 10

May play important roles in cardiac development and/or cardiac function.

AlphaFold DB , UniProt , Accession A0A096NQR4, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC10, Length 279 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.2	Very low	34.5	Very low	255 Å²	255	152.5 Å²	152.5	100%	1.256	83%	0.832	S	S	*	*				0	68.3	0	-66	-174.3	-157.2	0	0	109.3
2	G	28.7	Very low	34.5	Very low	56 Å²	56	148.8 Å²	148.8	58%	0.577	81%	0.809	S	S	*	*			trans	-151.8	111.7	176.7	0	0	0	0	0	106.4	T4	G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.39Å; G2-T4 VanDerWaalsContact O-N 3.13Å
3	N	33.9	Very low	34.6	Very low	164 Å²	164	145.1 Å²	145.1	88%	0.877	80%	0.797	S	S	*	*			trans	-83.6	85	173.5	-83.4	2.4	0	0	0	107.8	I5	N3-I5 PolarHBondContact O-N 3.3Å
4	T	35.3	Very low	35.6	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	78%	0.78	S	S	*	*			trans	-85.9	87.9	162.9	31.1	0	0	0	0	108.1	G2 R6	G2-T4 VanDerWaalsContact C-N 3.3Å; G2-T4 PolarHBondContact O-N 3.39Å; G2-T4 VanDerWaalsContact O-N 3.13Å; T4-R6 PolarHBondContact O-N 3.03Å
5	I	40.7	Very low	35.9	Very low	154 Å²	154	138.9 Å²	138.9	79%	0.79	77%	0.774	S	S	*	*			trans	-76.9	94.1	167.5	-60.2	-176.7	0	0	0	107.3	N3 A7	N3-I5 PolarHBondContact O-N 3.3Å; I5-A7 PolarHBondContact O-N 3.13Å
6	R	33.1	Very low	36.1	Very low	235 Å²	235	134.4 Å²	134.4	89%	0.887	76%	0.755	S	S	*	*			trans	-74.1	110.9	164.8	-86.2	-178.8	162.2	176.5	-4.9	108.1	T4 L8	T4-R6 PolarHBondContact O-N 3.03Å; R6-L8 PolarHBondContact O-N 3.06Å
7	A	36.3	Very low	36.4	Very low	84 Å²	84	130.2 Å²	130.2	69%	0.694	74%	0.735	S	S	*	*			trans	-69	119.5	174.1	0	0	0	0	0	110.7	I5 V9	I5-A7 PolarHBondContact O-N 3.13Å; A7-V9 PolarHBondContact O-N 3.44Å
8	L	31.8	Very low	36.9	Very low	178 Å²	178	126.3 Å²	126.3	93%	0.932	71%	0.71	S	S	*	*			trans	-76.9	107.9	162.2	-96.1	145.2	0	0	0	107.8	R6 A10	R6-L8 PolarHBondContact O-N 3.06Å; L8-A10 PolarHBondContact O-N 3.39Å
9	V	37.2	Very low	37.1	Very low	137 Å²	137	123.8 Å²	123.8	83%	0.83	70%	0.695	S	S	*	*			trans	-79.7	103.9	175.9	179.3	0	0	0	0	108.6	A7	A7-V9 PolarHBondContact O-N 3.44Å
10	A	30.5	Very low	37.3	Very low	72 Å²	72	126.5 Å²	126.5	60%	0.595	70%	0.695	S	S	*	*			trans	-100.7	129	162.8	0	0	0	0	0	109.2	L8 I12	L8-A10 PolarHBondContact O-N 3.39Å; A10-I12 PolarHBondContact O-N 3.11Å
11	F	40.2	Very low	37.9	Very low	217 Å²	217	123.4 Å²	123.4	95%	0.952	68%	0.68	S	S	*	*			trans	-62.5	93.7	-176.3	-152.8	-93.7	0	0	0	111.2
12	I	34.5	Very low	38.9	Very low	108 Å²	108	111.8 Å²	111.8	55%	0.554	62%	0.623	S	S	*	*			trans	-141.1	144.3	-178.9	-60.1	-178.2	0	0	0	109.8	A10	A10-I12 PolarHBondContact O-N 3.11Å
13	P	36.4	Very low	39.8	Very low	101 Å²	101	116.7 Å²	116.7	66%	0.656	62%	0.624	S	S	*	*			trans	-61.8	149	-164.6	-21.9	35	0	0	0	115.2	D15 C16	P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.43Å; P13-C16 PolarHBondContact O-N 3.22Å
14	A	48.8	Very low	40.7	Very low	67 Å²	67	115.4 Å²	115.4	55%	0.554	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-10.2	-159.2	0	0	0	0	0	119
15	D	39.9	Very low	41.9	Very low	130 Å²	130	112 Å²	112	70%	0.695	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-22.9	-178.8	-67.9	-35.1	0	0	0	113.1	P13	P13-D15 VanDerWaalsContact C-N 3.27Å; P13-D15 PolarHBondContact O-N 3.43Å
16	C	38.3	Very low	42.9	Very low	68 Å²	68	112.8 Å²	112.8	46%	0.459	59%	0.594	S	S	.	*	H	α-helix	trans	-77.7	-32.7	-177.7	-45.1	0	0	0	0	112.3	P13 N19	P13-C16 PolarHBondContact O-N 3.22Å; C16-N19 PolarHBondContact O-N 3.09Å
17	C	42	Very low	44.7	Very low	63 Å²	63	109.4 Å²	109.4	43%	0.426	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-30.3	-175.8	-64.7	0	0	0	0	113.3	N19 Y20 V21	C17-N19 PolarHBondContact O-N 3.32Å; C17-Y20 PolarHBondContact O-N 3.27Å; C17-Y20 VanDerWaalsContact O-N 3.09Å; C17-V21 PolarHBondContact O-N 3.11Å
18	Q	45.6	Very low	46.6	Very low	59 Å²	59	108.5 Å²	108.5	28%	0.276	57%	0.57	S	S	.	*	H	α-helix	trans	-62	-32.8	177.2	-72.9	-178.6	13.1	0	0	112.2	L41	Q18-L41 HydrophobicContact CG-CD2 4.41Å
19	N	40.9	Very low	48.8	Very low	80 Å²	80	101.4 Å²	101.4	43%	0.428	54%	0.535	S	S	.	.	H	α-helix	trans	-77	-30.1	175.7	-78.4	-32.2	0	0	0	112.5	C16 C17 R23	C16-N19 PolarHBondContact O-N 3.09Å; C17-N19 PolarHBondContact O-N 3.32Å; N19-R23 WeakPolarHBondContact O-CB 3.09Å; N19-R23 WeakPolarHBondContact O-CD 3.41Å; N19-R23 WeakPolarHBondContact O-CG 3.2Å; N19-R23 PolarHBondContact O-N 3.05Å; N19-R23 VanDerWaalsContact O-N 3.11Å
20	Y	40.6	Very low	50.8	Low	177 Å²	177	103.6 Å²	103.6	69%	0.694	54%	0.541	S	S	*	.	H	α-helix	trans	-74.7	-39.1	-175.3	-109.9	-87.5	0	0	0	113.3	C17 V22	C17-Y20 PolarHBondContact O-N 3.27Å; C17-Y20 VanDerWaalsContact O-N 3.09Å; Y20-V22 PolarHBondContact O-N 2.95Å
21	V	50.5	Low	53.3	Low	62 Å²	62	105.1 Å²	105.1	38%	0.376	54%	0.539	S	S	.	.	H	α-helix	trans	-68.5	-26.8	-177.8	-174.1	0	0	0	0	112.2	C17 L36	C17-V21 PolarHBondContact O-N 3.11Å; V21-L36 HydrophobicContact CG1-CD2 3.52Å
22	V	51.2	Low	55.7	Low	11 Å²	11	98.3 Å²	98.3	7%	0.067	51%	0.509	C	S	.	.	H	α-helix	trans	-106	-25.1	-170.4	-173.3	0	0	0	0	112.8	Y20 D24 L25 P45 H47	Y20-V22 PolarHBondContact O-N 2.95Å; V22-D24 PolarHBondContact O-N 3.49Å; V22-L25 WeakPolarHBondContact O-CB 3.36Å; V22-L25 PolarHBondContact O-N 3.11Å; V22-P45 HydrophobicContact CB-CB 4.47Å; V22-P45 HydrophobicContact CG1-CB 4.25Å; V22-P45 HydrophobicContact CG2-CB 3.5Å; V22-P45 VanDerWaalsContact CG2-CB 3.5Å; V22-P45 HydrophobicContact CG2-CG 4.03Å; V22-H47 HydrophobicContact CG1-CB 3.7Å
23	R	48.8	Very low	58.5	Low	158 Å²	158	95.8 Å²	95.8	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-62.1	-24.7	179.5	-87.2	176.2	-178.8	-166.9	0.7	113.6	N19 L25 H26	N19-R23 WeakPolarHBondContact O-CB 3.09Å; N19-R23 WeakPolarHBondContact O-CD 3.41Å; N19-R23 WeakPolarHBondContact O-CG 3.2Å; N19-R23 PolarHBondContact O-N 3.05Å; N19-R23 VanDerWaalsContact O-N 3.11Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.1Å; R23-H26 PolarHBondContact O-CD2 3.27Å
24	D	52.4	Low	61.1	Low	138 Å²	138	91.2 Å²	91.2	74%	0.738	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.6	177.3	-65.7	-26.3	0	0	0	113.1	V22 H26	V22-D24 PolarHBondContact O-N 3.49Å; D24-H26 PolarHBondContact O-N 3.27Å; D24-H26 VanDerWaalsContact O-N 3.11Å
25	L	59.3	Low	63.1	Low	52 Å²	52	92.5 Å²	92.5	27%	0.272	46%	0.464	S	S	.	.			trans	-87	62.5	173.8	-63	172.4	0	0	0	110	V22 R23 V34 F51	V22-L25 WeakPolarHBondContact O-CB 3.36Å; V22-L25 PolarHBondContact O-N 3.11Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.1Å; L25-V34 HydrophobicContact CD1-CG1 4.21Å; L25-V34 HydrophobicContact CD1-CG2 4.47Å; L25-F51 HydrophobicContact CB-CE2 3.99Å; L25-F51 HydrophobicContact CB-CZ 3.86Å; L25-F51 HydrophobicContact CD1-CE2 4.38Å; L25-F51 WeakPolarHBondContact O-CZ 3.48Å
26	H	62.1	Low	65.6	Low	171 Å²	171	86.6 Å²	86.6	79%	0.792	43%	0.432	S	S	*	.			trans	-78.8	-22	173.3	-93.1	-63.4	0	0	0	112.8	R23 D24	R23-H26 PolarHBondContact O-CD2 3.27Å; D24-H26 PolarHBondContact O-N 3.27Å; D24-H26 VanDerWaalsContact O-N 3.11Å
27	E	70.6	Confident	68.1	Low	165 Å²	165	85.2 Å²	85.2	77%	0.771	42%	0.423	S	S	*	.	S	Bend	trans	-126.9	152.6	-178.2	-66.3	-175.7	173.3	0	0	111.5
28	M	76.9	Confident	70.4	Confident	64 Å²	64	83.9 Å²	83.9	32%	0.315	42%	0.42	S	S	.	.			trans	-64.4	126.4	176.4	176.6	71.2	75.4	0	0	109.8	F51 E53	M28-F51 HydrophobicContact CB-CD1 4.18Å; M28-F51 HydrophobicContact CB-CE1 4.5Å; M28-F51 VanDerWaalsContact CE-C 3.48Å; M28-F51 HydrophobicContact CE-CB 3.43Å; M28-F51 VanDerWaalsContact CE-CB 3.43Å; M28-F51 HydrophobicContact CE-CD1 3.82Å; M28-F51 HydrophobicContact CE-CG 4.05Å; M28-F51 HydrophobicContact SD-CB 3.76Å; M28-F51 HydrophobicContact SD-CD1 3.9Å; M28-F51 HydrophobicContact SD-CG 4.05Å; M28-E53 HydrophobicContact CE-CB 3.73Å; M28-E53 HydrophobicContact CE-CG 4.27Å
29	P	77.6	Confident	72.5	Confident	30 Å²	30	83 Å²	83	20%	0.195	42%	0.421	C	S	.	.			trans	-65.7	139.9	175.9	26.9	-33.9	0	0	0	110.9	D31 K32 M33 V34	P29-D31 WeakPolarHBondContact CB-OD1 3.44Å; P29-D31 PolarHBondContact O-N 3.33Å; P29-K32 WeakPolarHBondContact O-CA 3.45Å; P29-K32 PolarHBondContact O-N 3.5Å; P29-M33 VanDerWaalsContact CG-O 3.23Å; P29-M33 WeakPolarHBondContact CG-O 3.39Å; P29-V34 HydrophobicContact CG-CG2 4.06Å
30	L	78.9	Confident	74.9	Confident	183 Å²	183	84.5 Å²	84.5	96%	0.958	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.4	-175.3	-71.6	167.6	0	0	0	113.2	K32	L30-K32 PolarHBondContact O-N 2.89Å
31	D	84.6	Confident	77.2	Confident	103 Å²	103	76.3 Å²	76.3	55%	0.551	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.8	177.6	64.6	-6.8	0	0	0	113.2	P29 M33	P29-D31 WeakPolarHBondContact CB-OD1 3.44Å; P29-D31 PolarHBondContact O-N 3.33Å; D31-M33 PolarHBondContact O-N 3.29Å; D31-M33 VanDerWaalsContact O-N 3.13Å; D31-M33 PolarHBondContact OD1-N 3.44Å
32	K	90.5	Very high	79.1	Confident	75 Å²	75	81.2 Å²	81.2	33%	0.326	41%	0.405	S	S	.	.			trans	52	34.3	-179.7	-52	-176.3	-173.9	-155.3	0	111.6	P29 L30 E53 L54 V55 K56	P29-K32 WeakPolarHBondContact O-CA 3.45Å; P29-K32 PolarHBondContact O-N 3.5Å; L30-K32 PolarHBondContact O-N 2.89Å; K32-E53 HydrophobicContact CD-CB 4.11Å; K32-E53 WeakPolarHBondContact CD-O 3.23Å; K32-E53 WeakPolarHBondContact CE-OE2 3.36Å; K32-E53 IonicContact NZ-OE2 2.7Å; K32-E53 PolarHBondContact NZ-OE2 3.23Å; K32-L54 VanDerWaalsContact O-CD1 3.26Å; K32-L54 WeakPolarHBondContact O-CD1 3.44Å; K32-V55 HydrophobicContact CB-CB 4.23Å; K32-V55 HydrophobicContact CB-CG2 3.89Å; K32-V55 HydrophobicContact CD-CG2 4.08Å; K32-V55 PolarHBondContact O-N 3.33Å; K32-K56 PolarHBondContact O-N 2.92Å
33	M	92.6	Very high	81	Confident	54 Å²	54	89.7 Å²	89.7	27%	0.266	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.3	-178.6	171.8	172.2	157.2	0	0	109.7	P29 D31 D35 K56 Y58	P29-M33 VanDerWaalsContact CG-O 3.23Å; P29-M33 WeakPolarHBondContact CG-O 3.39Å; D31-M33 PolarHBondContact O-N 3.29Å; D31-M33 VanDerWaalsContact O-N 3.13Å; D31-M33 PolarHBondContact OD1-N 3.44Å; M33-D35 HydrophobicContact CE-CB 4.15Å; M33-K56 WeakPolarHBondContact CA-O 3.5Å; M33-K56 HydrophobicContact CB-CB 4.04Å; M33-K56 HydrophobicContact CB-CD 4.45Å; M33-K56 HydrophobicContact CG-CB 3.96Å; M33-K56 HydrophobicContact CG-CD 4.48Å; M33-K56 HydrophobicContact SD-CB 4.5Å; M33-K56 HydrophobicContact SD-CD 4.11Å; M33-Y58 HydrophobicContact CE-CD2 3.6Å; M33-Y58 HydrophobicContact CE-CE2 3.39Å; M33-Y58 HydrophobicContact CG-CD2 4.15Å; M33-Y58 HydrophobicContact CG-CE2 3.91Å; M33-Y58 HydrophobicContact SD-CD2 4.22Å; M33-Y58 HydrophobicContact SD-CE2 3.57Å; M33-Y58 VanDerWaalsContact SD-CE2 3.57Å
34	V	91.4	Very high	82.9	Confident	5 Å²	5	83 Å²	83	3%	0.03	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.9	172.4	168.1	0	0	0	0	107.6	L25 P29 L36 V48 F51 L54 K56 L57 Y58	L25-V34 HydrophobicContact CD1-CG1 4.21Å; L25-V34 HydrophobicContact CD1-CG2 4.47Å; P29-V34 HydrophobicContact CG-CG2 4.06Å; V34-L36 HydrophobicContact CG1-CD1 3.88Å; V34-L36 HydrophobicContact CG1-CD2 4.39Å; V34-L36 HydrophobicContact CG1-CG 3.75Å; V34-V48 HydrophobicContact CG1-CG1 4.35Å; V34-V48 HydrophobicContact CG1-CG2 4.35Å; V34-F51 HydrophobicContact CG2-CD2 4.46Å; V34-L54 HydrophobicContact CB-CD1 4.02Å; V34-L54 HydrophobicContact CB-CD2 4.36Å; V34-L54 HydrophobicContact CG2-CD1 3.57Å; V34-L54 HydrophobicContact CG2-CD2 4.47Å; V34-K56 PolarHBondContact N-O 3.13Å; V34-L57 HydrophobicContact CB-CD1 4.07Å; V34-L57 HydrophobicContact CG1-CD1 3.95Å; V34-L57 WeakPolarHBondContact O-CA 3.17Å; V34-Y58 PolarHBondContact O-N 3.22Å
35	D	91.1	Very high	84.6	Confident	95 Å²	95	77.3 Å²	77.3	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.8	174.5	-170.9	-0.4	0	0	0	109.7	M33 S37 Y58	M33-D35 HydrophobicContact CE-CB 4.15Å; D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 2.99Å; D35-S37 PolarHBondContact OD1-OG 3.31Å; D35-Y58 HydrophobicContact CB-CD2 4.45Å; D35-Y58 WeakPolarHBondContact OD1-CB 3.47Å
36	L	90.9	Very high	86	Confident	5 Å²	5	79.3 Å²	79.3	3%	0.026	39%	0.392	C	S	.	.			trans	-125.9	24.4	179	-62.5	173.2	0	0	0	110.1	V21 V34 S39 L41 P45 V48 Y58 L59 N62	V21-L36 HydrophobicContact CG1-CD2 3.52Å; V34-L36 HydrophobicContact CG1-CD1 3.88Å; V34-L36 HydrophobicContact CG1-CD2 4.39Å; V34-L36 HydrophobicContact CG1-CG 3.75Å; L36-S39 WeakPolarHBondContact O-CB 3.47Å; L36-S39 PolarHBondContact O-OG 3.12Å; L36-L41 HydrophobicContact CB-CD1 4.06Å; L36-P45 HydrophobicContact CD1-CG 3.61Å; L36-V48 HydrophobicContact CD1-CG2 3.82Å; L36-Y58 PolarHBondContact N-O 2.65Å; L36-L59 HydrophobicContact CB-CD2 3.85Å; L36-L59 HydrophobicContact CD1-CD2 4.05Å; L36-N62 PolarHBondContact O-ND2 3.18Å
37	S	91.6	Very high	87.1	Confident	40 Å²	40	77.4 Å²	77.4	28%	0.28	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	148.1	-179.8	-50.6	0	0	0	0	111.2	D35 S39 Y58 S60	D35-S37 WeakPolarHBondContact OD1-CB 3.44Å; D35-S37 PolarHBondContact OD1-N 2.99Å; D35-S37 PolarHBondContact OD1-OG 3.31Å; S37-S39 PolarHBondContact O-N 2.9Å; S37-S39 VanDerWaalsContact O-N 3.12Å; S37-Y58 WeakPolarHBondContact OG-CB 3Å; S37-S60 CarbonylContact C-O 3.59Å; S37-S60 WeakPolarHBondContact CA-O 3.13Å; S37-S60 WeakPolarHBondContact CB-O 3.19Å; S37-S60 PolarHBondContact OG-N 2.9Å
38	G	91.1	Very high	87.9	Confident	35 Å²	35	69.5 Å²	69.5	36%	0.361	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	7.5	177.9	0	0	0	0	0	115	Q40 S60 D61	G38-Q40 PolarHBondContact O-N 2.65Å; G38-S60 PolarHBondContact N-O 2.85Å; G38-D61 WeakPolarHBondContact CA-O 3.38Å; G38-D61 PolarHBondContact N-O 2.92Å; G38-D61 VanDerWaalsContact N-O 3.14Å
39	S	88.8	Confident	88.4	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	33%	0.332	S	S	.	.	S	Bend	trans	-83.9	9.3	-173.2	-67.3	0	0	0	0	113.8	L36 S37 L41 N62	L36-S39 WeakPolarHBondContact O-CB 3.47Å; L36-S39 PolarHBondContact O-OG 3.12Å; S37-S39 PolarHBondContact O-N 2.9Å; S37-S39 VanDerWaalsContact O-N 3.12Å; S39-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact O-N 3.1Å; S39-N62 PolarHBondContact N-OD1 3.37Å
40	Q	90.6	Very high	89	Confident	110 Å²	110	69 Å²	69	51%	0.514	35%	0.349	S	S	.	.			trans	54	29.5	-179.9	-56	-65.1	-49.1	0	0	113.2	G38 R42 N62 H63	G38-Q40 PolarHBondContact O-N 2.65Å; Q40-R42 PolarHBondContact O-N 3.17Å; Q40-N62 PolarHBondContact N-OD1 2.91Å; Q40-H63 PolarHBondContact OE1-CD2 2.92Å; Q40-H63 PolarHBondContact OE1-NE2 3.4Å
41	L	89.4	Confident	89.5	Confident	5 Å²	5	61 Å²	61	3%	0.026	31%	0.307	C	S	.	.			trans	-67.8	124.9	-174.7	-63.3	174	0	0	0	110.8	Q18 L36 S39 L59 N62 H63 L64	Q18-L41 HydrophobicContact CG-CD2 4.41Å; L36-L41 HydrophobicContact CB-CD1 4.06Å; S39-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact O-N 3.1Å; L41-L59 HydrophobicContact CD1-CD2 4.07Å; L41-N62 HydrophobicContact CB-CB 4.18Å; L41-N62 WeakPolarHBondContact CB-OD1 3.38Å; L41-N62 WeakPolarHBondContact CG-OD1 3.15Å; L41-N62 PolarHBondContact N-OD1 3.43Å; L41-H63 CarbonylContact O-C 3.57Å; L41-H63 VanDerWaalsContact O-C 3.26Å; L41-H63 VanDerWaalsContact O-CA 3.28Å; L41-H63 WeakPolarHBondContact O-CA 3.5Å; L41-H63 WeakPolarHBondContact O-CB 3.3Å; L41-H63 PolarHBondContact O-N 3Å; L41-L64 HydrophobicContact CB-CD2 4.05Å; L41-L64 PolarHBondContact O-N 2.86Å
42	R	91.3	Very high	89.7	Confident	166 Å²	166	62.5 Å²	62.5	63%	0.626	31%	0.309	S	S	*	.	S	Bend	trans	-92.3	-20.7	171.7	-65.2	179.3	-178.5	-98.8	-0.9	112.6	Q40 H63	Q40-R42 PolarHBondContact O-N 3.17Å; R42-H63 HydrophobicContact CG-CB 4.17Å
43	R	90	Very high	89.8	Confident	189 Å²	189	63.7 Å²	63.7	71%	0.713	32%	0.315	S	S	*	.	S	Bend	trans	-136.4	149.1	178.9	-64.1	-176.7	70.5	111.8	0.7	109.4
44	F	89.6	Confident	89.9	Confident	18 Å²	18	61.1 Å²	61.1	8%	0.079	30%	0.303	C	S	.	.			trans	-68.9	135.4	175.4	-177.2	-81.2	0	0	0	110.9	L46 V48 C49 L57 L59 L67 P68 L71	F44-L46 PolarHBondContact O-N 3.03Å; F44-V48 HydrophobicContact CE1-CB 4.24Å; F44-V48 HydrophobicContact CZ-CB 4.1Å; F44-V48 HydrophobicContact CZ-CG1 4.29Å; F44-C49 WeakPolarHBondContact CE1-SG 3.47Å; F44-L57 HydrophobicContact CE2-CD2 4.02Å; F44-L57 HydrophobicContact CZ-CD2 4.24Å; F44-L59 HydrophobicContact CD2-CD1 3.85Å; F44-L59 HydrophobicContact CE2-CD1 3.64Å; F44-L67 HydrophobicContact CD2-CD2 3.63Å; F44-L67 HydrophobicContact CE2-CD2 4.3Å; F44-L67 HydrophobicContact CG-CD2 4.41Å; F44-P68 VanDerWaalsContact CB-CD 3.48Å; F44-P68 HydrophobicContact CB-CG 3.93Å; F44-P68 HydrophobicContact CD1-CG 3.4Å; F44-P68 HydrophobicContact CE1-CG 4.03Å; F44-P68 VanDerWaalsContact CG-CD 3.5Å; F44-P68 HydrophobicContact CG-CG 3.71Å; F44-L71 HydrophobicContact CE2-CD1 3.82Å; F44-L71 HydrophobicContact CZ-CD1 3.75Å
45	P	88	Confident	90.1	Very high	17 Å²	17	62.3 Å²	62.3	11%	0.11	31%	0.31	C	S	.	.			trans	-80.6	102.9	176.8	29.6	-30.3	0	0	0	112.2	V22 L36 H47 V48	V22-P45 HydrophobicContact CB-CB 4.47Å; V22-P45 HydrophobicContact CG1-CB 4.25Å; V22-P45 HydrophobicContact CG2-CB 3.5Å; V22-P45 VanDerWaalsContact CG2-CB 3.5Å; V22-P45 HydrophobicContact CG2-CG 4.03Å; L36-P45 HydrophobicContact CD1-CG 3.61Å; P45-H47 PolarHBondContact O-N 3.14Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 3.88Å; P45-V48 WeakPolarHBondContact O-CB 3.45Å; P45-V48 PolarHBondContact O-N 3.06Å
46	L	87.6	Confident	90.4	Very high	95 Å²	95	61.4 Å²	61.4	50%	0.497	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-55	-28.1	-173.5	-68	172.8	0	0	0	115.1	F44 V48 C49 P68 E70	F44-L46 PolarHBondContact O-N 3.03Å; L46-V48 PolarHBondContact O-N 3.23Å; L46-C49 VanDerWaalsContact O-CB 3.29Å; L46-C49 WeakPolarHBondContact O-CB 3.34Å; L46-C49 PolarHBondContact O-N 3.02Å; L46-P68 HydrophobicContact CD2-CB 3.51Å; L46-P68 HydrophobicContact CD2-CG 3.64Å; L46-E70 HydrophobicContact CD2-CB 4.48Å
47	H	86	Confident	90.6	Very high	130 Å²	130	61.2 Å²	61.2	60%	0.602	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28.9	178.5	-62.8	89.6	0	0	0	112.8	V22 P45 C49 S50	V22-H47 HydrophobicContact CG1-CB 3.7Å; P45-H47 PolarHBondContact O-N 3.14Å; H47-C49 PolarHBondContact O-N 3.2Å; H47-S50 VanDerWaalsContact O-CB 3.3Å; H47-S50 WeakPolarHBondContact O-CB 3.43Å; H47-S50 PolarHBondContact O-N 3.03Å; H47-S50 PolarHBondContact O-OG 3.28Å
48	V	87.9	Confident	90.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.5	176.5	178.4	0	0	0	0	111.6	V34 L36 F44 P45 L46 S50 F51 L54 L57	V34-V48 HydrophobicContact CG1-CG1 4.35Å; V34-V48 HydrophobicContact CG1-CG2 4.35Å; L36-V48 HydrophobicContact CD1-CG2 3.82Å; F44-V48 HydrophobicContact CE1-CB 4.24Å; F44-V48 HydrophobicContact CZ-CB 4.1Å; F44-V48 HydrophobicContact CZ-CG1 4.29Å; P45-V48 HydrophobicContact CB-CG2 4.41Å; P45-V48 HydrophobicContact CG-CG2 3.88Å; P45-V48 WeakPolarHBondContact O-CB 3.45Å; P45-V48 PolarHBondContact O-N 3.06Å; L46-V48 PolarHBondContact O-N 3.23Å; V48-S50 PolarHBondContact O-N 2.86Å; V48-F51 WeakPolarHBondContact O-CB 3.26Å; V48-F51 WeakPolarHBondContact O-CD2 3.46Å; V48-F51 PolarHBondContact O-N 2.74Å; V48-L54 HydrophobicContact CG1-CD2 4.05Å; V48-L57 HydrophobicContact CG1-CD1 3.91Å; V48-L57 HydrophobicContact CG1-CD2 4.29Å
49	C	87.9	Confident	91.1	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.02	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-66.9	-16.4	177.4	-59.2	0	0	0	0	113.2	F44 L46 H47 F51 E70	F44-C49 WeakPolarHBondContact CE1-SG 3.47Å; L46-C49 VanDerWaalsContact O-CB 3.29Å; L46-C49 WeakPolarHBondContact O-CB 3.34Å; L46-C49 PolarHBondContact O-N 3.02Å; H47-C49 PolarHBondContact O-N 3.2Å; C49-F51 PolarHBondContact O-N 3.48Å; C49-E70 HydrophobicContact CB-CB 3.95Å; C49-E70 VanDerWaalsContact SG-C 3.56Å
50	S	88.4	Confident	91.4	Very high	79 Å²	79	59.1 Å²	59.1	55%	0.552	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22	175.5	71.2	0	0	0	0	112.7	H47 V48 K52	H47-S50 VanDerWaalsContact O-CB 3.3Å; H47-S50 WeakPolarHBondContact O-CB 3.43Å; H47-S50 PolarHBondContact O-N 3.03Å; H47-S50 PolarHBondContact O-OG 3.28Å; V48-S50 PolarHBondContact O-N 2.86Å; S50-K52 PolarHBondContact O-N 3.36Å
51	F	89.6	Confident	91.7	Very high	15 Å²	15	58.1 Å²	58.1	7%	0.066	27%	0.27	C	S	.	.			trans	-81	72.8	-178.2	-61.9	-52.1	0	0	0	112.4	L25 M28 V34 V48 C49 E53 L54 L74	L25-F51 HydrophobicContact CB-CE2 3.99Å; L25-F51 HydrophobicContact CB-CZ 3.86Å; L25-F51 HydrophobicContact CD1-CE2 4.38Å; L25-F51 WeakPolarHBondContact O-CZ 3.48Å; M28-F51 HydrophobicContact CB-CD1 4.18Å; M28-F51 HydrophobicContact CB-CE1 4.5Å; M28-F51 VanDerWaalsContact CE-C 3.48Å; M28-F51 HydrophobicContact CE-CB 3.43Å; M28-F51 VanDerWaalsContact CE-CB 3.43Å; M28-F51 HydrophobicContact CE-CD1 3.82Å; M28-F51 HydrophobicContact CE-CG 4.05Å; M28-F51 HydrophobicContact SD-CB 3.76Å; M28-F51 HydrophobicContact SD-CD1 3.9Å; M28-F51 HydrophobicContact SD-CG 4.05Å; V34-F51 HydrophobicContact CG2-CD2 4.46Å; V48-F51 WeakPolarHBondContact O-CB 3.26Å; V48-F51 WeakPolarHBondContact O-CD2 3.46Å; V48-F51 PolarHBondContact O-N 2.74Å; C49-F51 PolarHBondContact O-N 3.48Å; F51-E53 PolarHBondContact O-N 2.7Å; F51-L54 HydrophobicContact CB-CB 4.19Å; F51-L54 WeakPolarHBondContact O-CB 3.15Å; F51-L54 PolarHBondContact O-N 3.18Å; F51-L74 WeakPolarHBondContact O-CD2 3.23Å
52	K	89.9	Confident	91.9	Very high	136 Å²	136	58 Å²	58	59%	0.591	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.3	-175.5	-62.6	-178.6	-178.3	178	0	115.7	S50 L54 N76	S50-K52 PolarHBondContact O-N 3.36Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-N76 PolarHBondContact O-ND2 3.29Å
53	E	92.1	Very high	92.1	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.9	175.7	-51	-166.2	174.4	0	0	113.8	M28 K32 F51 V55	M28-E53 HydrophobicContact CE-CB 3.73Å; M28-E53 HydrophobicContact CE-CG 4.27Å; K32-E53 HydrophobicContact CD-CB 4.11Å; K32-E53 WeakPolarHBondContact CD-O 3.23Å; K32-E53 WeakPolarHBondContact CE-OE2 3.36Å; K32-E53 IonicContact NZ-OE2 2.7Å; K32-E53 PolarHBondContact NZ-OE2 3.23Å; F51-E53 PolarHBondContact O-N 2.7Å; E53-V55 PolarHBondContact O-N 3.32Å
54	L	93.8	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.			trans	-58.8	130.1	-177.6	-164	74.8	0	0	0	111.1	K32 V34 V48 F51 K52 L57 L74 N76 L77	K32-L54 VanDerWaalsContact O-CD1 3.26Å; K32-L54 WeakPolarHBondContact O-CD1 3.44Å; V34-L54 HydrophobicContact CB-CD1 4.02Å; V34-L54 HydrophobicContact CB-CD2 4.36Å; V34-L54 HydrophobicContact CG2-CD1 3.57Å; V34-L54 HydrophobicContact CG2-CD2 4.47Å; V48-L54 HydrophobicContact CG1-CD2 4.05Å; F51-L54 HydrophobicContact CB-CB 4.19Å; F51-L54 WeakPolarHBondContact O-CB 3.15Å; F51-L54 PolarHBondContact O-N 3.18Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-L57 HydrophobicContact CD2-CB 3.93Å; L54-L57 HydrophobicContact CD2-CD1 4.22Å; L54-L57 HydrophobicContact CD2-CD2 4.41Å; L54-L57 HydrophobicContact CD2-CG 4.42Å; L54-L74 HydrophobicContact CB-CD2 4.42Å; L54-L74 HydrophobicContact CD2-CD1 4.04Å; L54-N76 CarbonylContact O-C 3.42Å; L54-L77 HydrophobicContact CB-CD1 4.44Å; L54-L77 HydrophobicContact CD2-CD1 4.01Å; L54-L77 HydrophobicContact CG-CD1 4.09Å; L54-L77 WeakPolarHBondContact O-CA 3.43Å; L54-L77 PolarHBondContact O-N 2.84Å
55	V	96.6	Very high	92.7	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	24%	0.243	C	C	.	.			trans	-105.4	-33.3	-179	179	0	0	0	0	110.9	K32 E53 Q78 I79	K32-V55 HydrophobicContact CB-CB 4.23Å; K32-V55 HydrophobicContact CB-CG2 3.89Å; K32-V55 HydrophobicContact CD-CG2 4.08Å; K32-V55 PolarHBondContact O-N 3.33Å; E53-V55 PolarHBondContact O-N 3.32Å; V55-Q78 HydrophobicContact CG1-CB 3.95Å; V55-Q78 HydrophobicContact CG1-CG 3.94Å; V55-Q78 PolarHBondContact O-N 3.02Å; V55-I79 PolarHBondContact O-N 3.44Å; V55-I79 VanDerWaalsContact O-N 3.11Å
56	K	96.7	Very high	93	Very high	76 Å²	76	50.6 Å²	50.6	33%	0.33	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.9	-176.2	-52.7	178.3	-176	168.8	0	110.9	K32 M33 V34 Y58 I79	K32-K56 PolarHBondContact O-N 2.92Å; M33-K56 WeakPolarHBondContact CA-O 3.5Å; M33-K56 HydrophobicContact CB-CB 4.04Å; M33-K56 HydrophobicContact CB-CD 4.45Å; M33-K56 HydrophobicContact CG-CB 3.96Å; M33-K56 HydrophobicContact CG-CD 4.48Å; M33-K56 HydrophobicContact SD-CB 4.5Å; M33-K56 HydrophobicContact SD-CD 4.11Å; V34-K56 PolarHBondContact N-O 3.13Å; K56-Y58 HydrophobicContact CB-CE2 3.8Å; K56-Y58 HydrophobicContact CD-CE2 4.41Å; K56-I79 HydrophobicContact CB-CB 4.32Å; K56-I79 HydrophobicContact CD-CD1 4.06Å; K56-I79 HydrophobicContact CG-CB 4.16Å; K56-I79 HydrophobicContact CG-CD1 4.04Å; K56-I79 HydrophobicContact CG-CG1 4.23Å
57	L	96.4	Very high	93.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.5	176.9	-179.6	55.7	0	0	0	109.9	V34 F44 V48 L54 L59 L71 L74 L77 I79 L80 A81	V34-L57 HydrophobicContact CB-CD1 4.07Å; V34-L57 HydrophobicContact CG1-CD1 3.95Å; V34-L57 WeakPolarHBondContact O-CA 3.17Å; F44-L57 HydrophobicContact CE2-CD2 4.02Å; F44-L57 HydrophobicContact CZ-CD2 4.24Å; V48-L57 HydrophobicContact CG1-CD1 3.91Å; V48-L57 HydrophobicContact CG1-CD2 4.29Å; L54-L57 HydrophobicContact CD2-CB 3.93Å; L54-L57 HydrophobicContact CD2-CD1 4.22Å; L54-L57 HydrophobicContact CD2-CD2 4.41Å; L54-L57 HydrophobicContact CD2-CG 4.42Å; L57-L59 HydrophobicContact CD1-CD1 4.27Å; L57-L59 HydrophobicContact CD1-CG 4.17Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.87Å; L57-L59 HydrophobicContact CG-CG 4.13Å; L57-L71 HydrophobicContact CD2-CD1 3.95Å; L57-L74 HydrophobicContact CD2-CD1 4.27Å; L57-L77 HydrophobicContact CB-CD1 3.78Å; L57-L77 HydrophobicContact CB-CD2 4.23Å; L57-I79 PolarHBondContact N-O 2.86Å; L57-L80 HydrophobicContact CB-CD1 4.16Å; L57-L80 HydrophobicContact CD2-CD1 4.09Å; L57-L80 HydrophobicContact CG-CD1 4.14Å; L57-L80 WeakPolarHBondContact O-CA 3.22Å; L57-A81 PolarHBondContact O-N 3.06Å
58	Y	96.2	Very high	93.8	Very high	54 Å²	54	41.7 Å²	41.7	21%	0.212	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.3	177	-58.2	-90.6	0	0	0	109.9	M33 V34 D35 L36 S37 K56 I79 A81	M33-Y58 HydrophobicContact CE-CD2 3.6Å; M33-Y58 HydrophobicContact CE-CE2 3.39Å; M33-Y58 HydrophobicContact CG-CD2 4.15Å; M33-Y58 HydrophobicContact CG-CE2 3.91Å; M33-Y58 HydrophobicContact SD-CD2 4.22Å; M33-Y58 HydrophobicContact SD-CE2 3.57Å; M33-Y58 VanDerWaalsContact SD-CE2 3.57Å; V34-Y58 PolarHBondContact O-N 3.22Å; D35-Y58 HydrophobicContact CB-CD2 4.45Å; D35-Y58 WeakPolarHBondContact OD1-CB 3.47Å; L36-Y58 PolarHBondContact N-O 2.65Å; S37-Y58 WeakPolarHBondContact OG-CB 3Å; K56-Y58 HydrophobicContact CB-CE2 3.8Å; K56-Y58 HydrophobicContact CD-CE2 4.41Å; Y58-I79 HydrophobicContact CE1-CG2 4.17Å; Y58-A81 HydrophobicContact CD1-CB 3.52Å; Y58-A81 HydrophobicContact CE1-CB 4.22Å; Y58-A81 HydrophobicContact CG-CB 4.32Å
59	L	95.6	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.			trans	-133	23.1	-178.5	-72.4	162.2	0	0	0	110.5	L36 L41 F44 L57 N62 L64 A81 L82 N85	L36-L59 HydrophobicContact CB-CD2 3.85Å; L36-L59 HydrophobicContact CD1-CD2 4.05Å; L41-L59 HydrophobicContact CD1-CD2 4.07Å; F44-L59 HydrophobicContact CD2-CD1 3.85Å; F44-L59 HydrophobicContact CE2-CD1 3.64Å; L57-L59 HydrophobicContact CD1-CD1 4.27Å; L57-L59 HydrophobicContact CD1-CG 4.17Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.87Å; L57-L59 HydrophobicContact CG-CG 4.13Å; L59-N62 PolarHBondContact O-ND2 3.2Å; L59-L64 HydrophobicContact CB-CD1 4.11Å; L59-L64 HydrophobicContact CD1-CD1 4.32Å; L59-L64 HydrophobicContact CD2-CD1 4.21Å; L59-L64 HydrophobicContact CG-CD1 4.46Å; L59-A81 CarbonylContact C-O 3.47Å; L59-A81 WeakPolarHBondContact CA-O 3.49Å; L59-A81 WeakPolarHBondContact CB-O 3.49Å; L59-A81 PolarHBondContact N-O 2.93Å; L59-L82 HydrophobicContact CB-CD2 3.96Å; L59-L82 HydrophobicContact CD1-CD2 3.97Å; L59-N85 PolarHBondContact O-ND2 3.48Å
60	S	95.9	Very high	94.4	Very high	19 Å²	19	50 Å²	50	13%	0.133	27%	0.266	C	S	.	.			trans	-68.8	156	-176.3	-59.4	0	0	0	0	111.6	S37 G38 N62 A81 D83	S37-S60 CarbonylContact C-O 3.59Å; S37-S60 WeakPolarHBondContact CA-O 3.13Å; S37-S60 WeakPolarHBondContact CB-O 3.19Å; S37-S60 PolarHBondContact OG-N 2.9Å; G38-S60 PolarHBondContact N-O 2.85Å; S60-N62 PolarHBondContact O-ND2 2.99Å; S60-A81 WeakPolarHBondContact OG-CB 3.28Å; S60-D83 CarbonylContact C-O 3.34Å; S60-D83 WeakPolarHBondContact CA-O 3.25Å; S60-D83 PolarHBondContact OG-N 3.43Å; S60-D83 PolarHBondContact OG-OD2 2.95Å
61	D	96.3	Very high	94.8	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	24%	0.239	S	C	.	.	S	Bend	trans	56.8	56.3	178.5	-168.5	33.4	0	0	0	112.9	G38 D83 F84	G38-D61 WeakPolarHBondContact CA-O 3.38Å; G38-D61 PolarHBondContact N-O 2.92Å; G38-D61 VanDerWaalsContact N-O 3.14Å; D61-D83 PolarHBondContact N-O 3.05Å; D61-F84 WeakPolarHBondContact CA-O 3.25Å; D61-F84 HydrophobicContact CB-CB 4.29Å; D61-F84 PolarHBondContact N-O 3.4Å
62	N	94.7	Very high	95	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	-133.4	-175.9	177.5	-79.6	-61.2	0	0	0	109.9	L36 S39 Q40 L41 L59 S60 L64 F84 N85	L36-N62 PolarHBondContact O-ND2 3.18Å; S39-N62 PolarHBondContact N-OD1 3.37Å; Q40-N62 PolarHBondContact N-OD1 2.91Å; L41-N62 HydrophobicContact CB-CB 4.18Å; L41-N62 WeakPolarHBondContact CB-OD1 3.38Å; L41-N62 WeakPolarHBondContact CG-OD1 3.15Å; L41-N62 PolarHBondContact N-OD1 3.43Å; L59-N62 PolarHBondContact O-ND2 3.2Å; S60-N62 PolarHBondContact O-ND2 2.99Å; N62-L64 HydrophobicContact CB-CG 4.15Å; N62-F84 PolarHBondContact N-O 3.36Å; N62-F84 VanDerWaalsContact N-O 3.08Å; N62-N85 VanDerWaalsContact CB-OD1 3.23Å; N62-N85 WeakPolarHBondContact CB-OD1 3.29Å; N62-N85 PolarHBondContact O-OD1 3.17Å
63	H	95.4	Very high	95.2	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.319	24%	0.238	S	C	.	.			trans	-110	26.9	178.4	-61.4	-66.7	0	0	0	112.4	Q40 L41 R42	Q40-H63 PolarHBondContact OE1-CD2 2.92Å; Q40-H63 PolarHBondContact OE1-NE2 3.4Å; L41-H63 CarbonylContact O-C 3.57Å; L41-H63 VanDerWaalsContact O-C 3.26Å; L41-H63 VanDerWaalsContact O-CA 3.28Å; L41-H63 WeakPolarHBondContact O-CA 3.5Å; L41-H63 WeakPolarHBondContact O-CB 3.3Å; L41-H63 PolarHBondContact O-N 3Å; R42-H63 HydrophobicContact CG-CB 4.17Å
64	L	95.4	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.			trans	-70	141.2	-177.6	-57.2	175	0	0	0	110.6	L41 L59 N62 N85 N86 F87	L41-L64 HydrophobicContact CB-CD2 4.05Å; L41-L64 PolarHBondContact O-N 2.86Å; L59-L64 HydrophobicContact CB-CD1 4.11Å; L59-L64 HydrophobicContact CD1-CD1 4.32Å; L59-L64 HydrophobicContact CD2-CD1 4.21Å; L59-L64 HydrophobicContact CG-CD1 4.46Å; N62-L64 HydrophobicContact CB-CG 4.15Å; L64-N85 VanDerWaalsContact CB-OD1 3.22Å; L64-N85 WeakPolarHBondContact CB-OD1 3.38Å; L64-N85 WeakPolarHBondContact CG-OD1 3.23Å; L64-N85 PolarHBondContact N-OD1 3.02Å; L64-N86 CarbonylContact O-C 3.5Å; L64-N86 WeakPolarHBondContact O-CA 3.33Å; L64-N86 PolarHBondContact O-N 2.97Å; L64-F87 HydrophobicContact CB-CE2 3.93Å; L64-F87 HydrophobicContact CB-CZ 3.76Å
65	N	95.3	Very high	95.4	Very high	97 Å²	97	43.9 Å²	43.9	52%	0.519	23%	0.234	S	C	.	.			trans	-129.4	-6.8	176	62.1	25.4	0	0	0	113	N86 F87	N65-N86 HydrophobicContact CB-CB 4.35Å; N65-F87 VanDerWaalsContact C-CE1 3.47Å
66	S	95.3	Very high	95.4	Very high	67 Å²	67	46.3 Å²	46.3	47%	0.469	25%	0.246	S	C	.	.			trans	-152.8	155.3	-177.4	52.5	0	0	0	0	109.3	F87	S66-F87 VanDerWaalsContact N-CE1 3.34Å
67	L	95.9	Very high	95.5	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.089	23%	0.231	C	C	.	.			trans	-123.2	142.3	174	-67.5	169.8	0	0	0	108.7	F44 L71 L82 F87 P91 V93 V94	F44-L67 HydrophobicContact CD2-CD2 3.63Å; F44-L67 HydrophobicContact CE2-CD2 4.3Å; F44-L67 HydrophobicContact CG-CD2 4.41Å; L67-L71 HydrophobicContact CB-CD2 4.11Å; L67-L71 HydrophobicContact CD1-CD2 3.75Å; L67-L71 HydrophobicContact CD2-CD2 4.4Å; L67-L71 HydrophobicContact CG-CD2 4.3Å; L67-L82 HydrophobicContact CD1-CD1 3.77Å; L67-L82 HydrophobicContact CD1-CD2 4.22Å; L67-L82 HydrophobicContact CD2-CD2 4.22Å; L67-F87 HydrophobicContact CD1-CE1 4.36Å; L67-F87 HydrophobicContact CD1-CZ 4.19Å; L67-F87 HydrophobicContact CD2-CZ 4.08Å; L67-F87 HydrophobicContact CG-CE1 3.93Å; L67-F87 HydrophobicContact CG-CZ 3.81Å; L67-P91 HydrophobicContact CB-CB 4.12Å; L67-P91 HydrophobicContact CB-CG 4.09Å; L67-P91 HydrophobicContact CD1-CB 4.44Å; L67-P91 HydrophobicContact CD1-CG 4.06Å; L67-P91 HydrophobicContact CG-CG 4.09Å; L67-V93 HydrophobicContact CB-CG1 3.86Å; L67-V94 HydrophobicContact CD1-CG2 3.58Å
68	P	94.7	Very high	95.5	Very high	21 Å²	21	46.7 Å²	46.7	14%	0.136	25%	0.249	C	C	.	.			trans	-77.1	150.8	-176.2	33.7	-35.8	0	0	0	110.6	F44 L46 E70 L71	F44-P68 VanDerWaalsContact CB-CD 3.48Å; F44-P68 HydrophobicContact CB-CG 3.93Å; F44-P68 HydrophobicContact CD1-CG 3.4Å; F44-P68 HydrophobicContact CE1-CG 4.03Å; F44-P68 VanDerWaalsContact CG-CD 3.5Å; F44-P68 HydrophobicContact CG-CG 3.71Å; L46-P68 HydrophobicContact CD2-CB 3.51Å; L46-P68 HydrophobicContact CD2-CG 3.64Å; P68-E70 WeakPolarHBondContact CB-OE2 3.45Å; P68-E70 PolarHBondContact O-N 2.94Å; P68-L71 VanDerWaalsContact O-CB 3.29Å; P68-L71 WeakPolarHBondContact O-CB 3.41Å; P68-L71 PolarHBondContact O-N 3.02Å; P68-L71 VanDerWaalsContact O-N 3.08Å
69	P	94.5	Very high	95.6	Very high	101 Å²	101	45.3 Å²	45.3	66%	0.656	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.5	-26.6	179.6	24.8	-33.6	0	0	0	113	L71 G72 V93	P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.17Å; P69-G72 PolarHBondContact O-N 2.92Å; P69-V93 WeakPolarHBondContact O-CG2 3.32Å
70	E	94.6	Very high	95.8	Very high	78 Å²	78	45.3 Å²	45.3	36%	0.364	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.6	-22.3	176.3	-65.3	78.8	-177.3	0	0	112.7	L46 C49 P68 G72 Q73	L46-E70 HydrophobicContact CD2-CB 4.48Å; C49-E70 HydrophobicContact CB-CB 3.95Å; C49-E70 VanDerWaalsContact SG-C 3.56Å; P68-E70 WeakPolarHBondContact CB-OE2 3.45Å; P68-E70 PolarHBondContact O-N 2.94Å; E70-G72 PolarHBondContact O-N 3.23Å; E70-G72 VanDerWaalsContact O-N 3.15Å; E70-Q73 VanDerWaalsContact O-CB 3.29Å; E70-Q73 WeakPolarHBondContact O-CB 3.29Å; E70-Q73 WeakPolarHBondContact O-CG 3.44Å; E70-Q73 PolarHBondContact O-N 3.36Å
71	L	95.4	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.8	-30.7	174.1	-175.4	71	0	0	0	111.5	F44 L57 L67 P68 P69 Q73 L74 V93 V94 L97	F44-L71 HydrophobicContact CE2-CD1 3.82Å; F44-L71 HydrophobicContact CZ-CD1 3.75Å; L57-L71 HydrophobicContact CD2-CD1 3.95Å; L67-L71 HydrophobicContact CB-CD2 4.11Å; L67-L71 HydrophobicContact CD1-CD2 3.75Å; L67-L71 HydrophobicContact CD2-CD2 4.4Å; L67-L71 HydrophobicContact CG-CD2 4.3Å; P68-L71 VanDerWaalsContact O-CB 3.29Å; P68-L71 WeakPolarHBondContact O-CB 3.41Å; P68-L71 PolarHBondContact O-N 3.02Å; P68-L71 VanDerWaalsContact O-N 3.08Å; P69-L71 PolarHBondContact O-N 3.08Å; P69-L71 VanDerWaalsContact O-N 3.17Å; L71-Q73 PolarHBondContact O-N 2.82Å; L71-L74 HydrophobicContact CD1-CD1 3.71Å; L71-L74 WeakPolarHBondContact O-CB 3.3Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-V93 HydrophobicContact CB-CG1 4.45Å; L71-V93 HydrophobicContact CB-CG2 3.93Å; L71-V93 HydrophobicContact CD2-CG1 4.27Å; L71-V94 HydrophobicContact CD2-CG2 4.46Å; L71-L97 HydrophobicContact CD2-CD1 4.48Å; L71-L97 HydrophobicContact CG-CD1 4.46Å
72	G	93.8	Very high	96	Very high	15 Å²	15	40.3 Å²	40.3	16%	0.155	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-62.2	-9.5	176.2	0	0	0	0	0	114.1	P69 E70 L74 Q75 V93 T96	P69-G72 PolarHBondContact O-N 2.92Å; E70-G72 PolarHBondContact O-N 3.23Å; E70-G72 VanDerWaalsContact O-N 3.15Å; G72-L74 VanDerWaalsContact C-N 3.29Å; G72-Q75 PolarHBondContact O-NE2 2.99Å; G72-V93 VanDerWaalsContact N-CG2 3.26Å; G72-T96 WeakPolarHBondContact CA-OG1 3.37Å
73	Q	94.1	Very high	96.1	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-75.8	-18	173.8	-62.4	178.5	-2.6	0	0	112.9	E70 L71 Q75	E70-Q73 VanDerWaalsContact O-CB 3.29Å; E70-Q73 WeakPolarHBondContact O-CB 3.29Å; E70-Q73 WeakPolarHBondContact O-CG 3.44Å; E70-Q73 PolarHBondContact O-N 3.36Å; L71-Q73 PolarHBondContact O-N 2.82Å; Q73-Q75 PolarHBondContact O-N 3.11Å
74	L	95.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	-81.2	58.7	-177.6	-56.7	-174.7	0	0	0	112.2	F51 L54 L57 L71 G72 N76 L77 L97	F51-L74 WeakPolarHBondContact O-CD2 3.23Å; L54-L74 HydrophobicContact CB-CD2 4.42Å; L54-L74 HydrophobicContact CD2-CD1 4.04Å; L57-L74 HydrophobicContact CD2-CD1 4.27Å; L71-L74 HydrophobicContact CD1-CD1 3.71Å; L71-L74 WeakPolarHBondContact O-CB 3.3Å; L71-L74 PolarHBondContact O-N 2.94Å; G72-L74 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 2.78Å; L74-N76 VanDerWaalsContact O-N 3.07Å; L74-L77 HydrophobicContact CB-CB 4.24Å; L74-L77 VanDerWaalsContact O-CB 3.25Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 2.81Å; L74-L97 HydrophobicContact CB-CD2 4.43Å
75	Q	95.1	Very high	96.3	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.3	-172.6	-69.1	-66.1	-44.7	0	0	114.7	G72 Q73 T96 Q99	G72-Q75 PolarHBondContact O-NE2 2.99Å; Q73-Q75 PolarHBondContact O-N 3.11Å; Q75-T96 PolarHBondContact NE2-O 2.82Å; Q75-Q99 WeakPolarHBondContact O-CB 3.35Å; Q75-Q99 WeakPolarHBondContact O-CG 3.4Å
76	N	96.4	Very high	96.4	Very high	81 Å²	81	41.2 Å²	41.2	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.5	176.1	-66.5	-44	0	0	0	113.7	K52 L54 L74 Q78	K52-N76 PolarHBondContact O-ND2 3.29Å; L54-N76 CarbonylContact O-C 3.42Å; L74-N76 PolarHBondContact O-N 2.78Å; L74-N76 VanDerWaalsContact O-N 3.07Å; N76-Q78 PolarHBondContact O-N 2.97Å
77	L	97.9	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.			trans	-67.6	123.4	-175.5	-160	76.4	0	0	0	110.7	L54 L57 L74 L80 L97 Q99 L100	L54-L77 HydrophobicContact CB-CD1 4.44Å; L54-L77 HydrophobicContact CD2-CD1 4.01Å; L54-L77 HydrophobicContact CG-CD1 4.09Å; L54-L77 WeakPolarHBondContact O-CA 3.43Å; L54-L77 PolarHBondContact O-N 2.84Å; L57-L77 HydrophobicContact CB-CD1 3.78Å; L57-L77 HydrophobicContact CB-CD2 4.23Å; L74-L77 HydrophobicContact CB-CB 4.24Å; L74-L77 VanDerWaalsContact O-CB 3.25Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 2.81Å; L77-L80 HydrophobicContact CD2-CB 3.94Å; L77-L80 HydrophobicContact CD2-CD1 4.19Å; L77-L80 HydrophobicContact CD2-CD2 4.5Å; L77-L80 HydrophobicContact CD2-CG 4.43Å; L77-L97 HydrophobicContact CD2-CD1 3.86Å; L77-Q99 CarbonylContact O-C 3.42Å; L77-Q99 VanDerWaalsContact O-C 3.24Å; L77-L100 HydrophobicContact CD2-CD1 4.26Å; L77-L100 HydrophobicContact CG-CD1 4.35Å; L77-L100 WeakPolarHBondContact O-CA 3.5Å; L77-L100 PolarHBondContact O-N 3.23Å
78	Q	98.3	Very high	96.6	Very high	85 Å²	85	45 Å²	45	40%	0.397	23%	0.227	S	C	.	.			trans	-107.4	-28.7	179.7	-64.8	179.4	15.2	0	0	112.3	V55 N76 C101 I102	V55-Q78 HydrophobicContact CG1-CB 3.95Å; V55-Q78 HydrophobicContact CG1-CG 3.94Å; V55-Q78 PolarHBondContact O-N 3.02Å; N76-Q78 PolarHBondContact O-N 2.97Å; Q78-C101 WeakPolarHBondContact O-CA 3.22Å; Q78-C101 PolarHBondContact O-N 3.07Å; Q78-I102 PolarHBondContact O-N 2.74Å
79	I	98.5	Very high	96.6	Very high	25 Å²	25	47 Å²	47	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.3	-180	-53.3	-176.9	0	0	0	108.9	V55 K56 L57 Y58 I102 Y104	V55-I79 PolarHBondContact O-N 3.44Å; V55-I79 VanDerWaalsContact O-N 3.11Å; K56-I79 HydrophobicContact CB-CB 4.32Å; K56-I79 HydrophobicContact CD-CD1 4.06Å; K56-I79 HydrophobicContact CG-CB 4.16Å; K56-I79 HydrophobicContact CG-CD1 4.04Å; K56-I79 HydrophobicContact CG-CG1 4.23Å; L57-I79 PolarHBondContact N-O 2.86Å; Y58-I79 HydrophobicContact CE1-CG2 4.17Å; I79-I102 WeakPolarHBondContact CA-O 3.5Å; I79-I102 HydrophobicContact CD1-CD1 4.09Å; I79-I102 HydrophobicContact CG1-CB 4.21Å; I79-I102 HydrophobicContact CG1-CD1 4.22Å; I79-I102 HydrophobicContact CG1-CG1 4.43Å; I79-I102 HydrophobicContact CG2-CB 4.27Å; I79-I102 HydrophobicContact CG2-CG2 4.41Å; I79-Y104 HydrophobicContact CG2-CE2 4.17Å
80	L	98.5	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.6	172.5	179.3	58.5	0	0	0	109.1	L57 L77 L82 V94 L97 L100 I102 L103 Y104	L57-L80 HydrophobicContact CB-CD1 4.16Å; L57-L80 HydrophobicContact CD2-CD1 4.09Å; L57-L80 HydrophobicContact CG-CD1 4.14Å; L57-L80 WeakPolarHBondContact O-CA 3.22Å; L77-L80 HydrophobicContact CD2-CB 3.94Å; L77-L80 HydrophobicContact CD2-CD1 4.19Å; L77-L80 HydrophobicContact CD2-CD2 4.5Å; L77-L80 HydrophobicContact CD2-CG 4.43Å; L80-L82 HydrophobicContact CD1-CD1 4.41Å; L80-L82 HydrophobicContact CD1-CD2 4.31Å; L80-L82 HydrophobicContact CD1-CG 4.13Å; L80-L82 HydrophobicContact CD2-CD1 3.86Å; L80-L82 HydrophobicContact CD2-CG 4.45Å; L80-L82 HydrophobicContact CG-CD1 3.94Å; L80-L82 HydrophobicContact CG-CG 4Å; L80-V94 HydrophobicContact CD2-CG1 3.88Å; L80-V94 HydrophobicContact CD2-CG2 4.01Å; L80-L97 HydrophobicContact CD2-CD1 4.24Å; L80-L100 HydrophobicContact CB-CD1 3.74Å; L80-L100 HydrophobicContact CB-CD2 4.41Å; L80-I102 PolarHBondContact N-O 3.07Å; L80-I102 VanDerWaalsContact N-O 3.07Å; L80-L103 HydrophobicContact CB-CD1 4.21Å; L80-L103 HydrophobicContact CD2-CD1 4.18Å; L80-L103 HydrophobicContact CG-CD1 4.25Å; L80-Y104 PolarHBondContact O-N 2.97Å
81	A	98.3	Very high	96.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.4	175.8	0	0	0	0	0	110.9	L57 Y58 L59 S60 Y104	L57-A81 PolarHBondContact O-N 3.06Å; Y58-A81 HydrophobicContact CD1-CB 3.52Å; Y58-A81 HydrophobicContact CE1-CB 4.22Å; Y58-A81 HydrophobicContact CG-CB 4.32Å; L59-A81 CarbonylContact C-O 3.47Å; L59-A81 WeakPolarHBondContact CA-O 3.49Å; L59-A81 WeakPolarHBondContact CB-O 3.49Å; L59-A81 PolarHBondContact N-O 2.93Å; S60-A81 WeakPolarHBondContact OG-CB 3.28Å; A81-Y104 HydrophobicContact CB-CD2 3.79Å; A81-Y104 HydrophobicContact CB-CG 4.42Å
82	L	98	Very high	96.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.			trans	-130.3	22.8	-178.8	-64.6	165.1	0	0	0	110.8	L59 L67 L80 N85 F87 Y104 L105 N108	L59-L82 HydrophobicContact CB-CD2 3.96Å; L59-L82 HydrophobicContact CD1-CD2 3.97Å; L67-L82 HydrophobicContact CD1-CD1 3.77Å; L67-L82 HydrophobicContact CD1-CD2 4.22Å; L67-L82 HydrophobicContact CD2-CD2 4.22Å; L80-L82 HydrophobicContact CD1-CD1 4.41Å; L80-L82 HydrophobicContact CD1-CD2 4.31Å; L80-L82 HydrophobicContact CD1-CG 4.13Å; L80-L82 HydrophobicContact CD2-CD1 3.86Å; L80-L82 HydrophobicContact CD2-CG 4.45Å; L80-L82 HydrophobicContact CG-CD1 3.94Å; L80-L82 HydrophobicContact CG-CG 4Å; L82-N85 PolarHBondContact O-ND2 3.06Å; L82-F87 HydrophobicContact CB-CE2 4.13Å; L82-F87 HydrophobicContact CD1-CE2 4.43Å; L82-F87 HydrophobicContact CD2-CE2 3.95Å; L82-F87 HydrophobicContact CD2-CZ 4.19Å; L82-F87 HydrophobicContact CG-CE2 4.41Å; L82-Y104 WeakPolarHBondContact CA-O 3.22Å; L82-Y104 WeakPolarHBondContact CB-O 3.4Å; L82-Y104 PolarHBondContact N-O 3.21Å; L82-L105 HydrophobicContact CB-CD2 4.07Å; L82-L105 HydrophobicContact CD1-CD2 3.89Å; L82-N108 PolarHBondContact O-ND2 2.78Å
83	D	97.7	Very high	96.8	Very high	22 Å²	22	46 Å²	46	12%	0.118	23%	0.231	C	C	.	.			trans	-61.3	155.3	179.8	-55.4	-66.4	0	0	0	111.4	S60 D61 N85 Y104 L105 G106	S60-D83 CarbonylContact C-O 3.34Å; S60-D83 WeakPolarHBondContact CA-O 3.25Å; S60-D83 PolarHBondContact OG-N 3.43Å; S60-D83 PolarHBondContact OG-OD2 2.95Å; D61-D83 PolarHBondContact N-O 3.05Å; D83-N85 PolarHBondContact O-N 3.25Å; D83-N85 PolarHBondContact O-ND2 2.91Å; D83-Y104 VanDerWaalsContact CG-CB 3.48Å; D83-Y104 WeakPolarHBondContact OD1-CB 3.04Å; D83-Y104 WeakPolarHBondContact OD2-CB 3.33Å; D83-L105 PolarHBondContact OD1-N 2.92Å; D83-G106 CarbonylContact C-O 3.26Å; D83-G106 WeakPolarHBondContact CA-O 3.45Å; D83-G106 VanDerWaalsContact OD1-CA 3.31Å; D83-G106 WeakPolarHBondContact OD1-CA 3.31Å; D83-G106 PolarHBondContact OD1-N 3.35Å
84	F	97.6	Very high	97	Very high	109 Å²	109	41.1 Å²	41.1	48%	0.478	21%	0.208	S	C	.	.	S	Bend	trans	53.8	56.7	174.9	-57.8	-86.4	0	0	0	111.6	D61 N62 G106 N107	D61-F84 WeakPolarHBondContact CA-O 3.25Å; D61-F84 HydrophobicContact CB-CB 4.29Å; D61-F84 PolarHBondContact N-O 3.4Å; N62-F84 PolarHBondContact N-O 3.36Å; N62-F84 VanDerWaalsContact N-O 3.08Å; F84-G106 PolarHBondContact N-O 3.28Å; F84-N107 VanDerWaalsContact CA-O 3.3Å; F84-N107 WeakPolarHBondContact CA-O 3.44Å; F84-N107 HydrophobicContact CB-CB 4.44Å; F84-N107 HydrophobicContact CD1-CB 3.4Å; F84-N107 HydrophobicContact CD2-CB 4.36Å; F84-N107 HydrophobicContact CE1-CB 3.59Å; F84-N107 WeakPolarHBondContact CE1-ND2 3.46Å; F84-N107 HydrophobicContact CG-CB 3.82Å; F84-N107 HydrophobicContact CZ-CB 4.15Å; F84-N107 VanDerWaalsContact CZ-ND2 3.25Å; F84-N107 WeakPolarHBondContact CZ-ND2 3.46Å; F84-N107 PolarHBondContact N-O 2.93Å
85	N	97.8	Very high	97	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-131.1	-169.2	175.8	-85.5	-81.5	0	0	0	109.7	L59 N62 L64 L82 D83 F87 N107 N108	L59-N85 PolarHBondContact O-ND2 3.48Å; N62-N85 VanDerWaalsContact CB-OD1 3.23Å; N62-N85 WeakPolarHBondContact CB-OD1 3.29Å; N62-N85 PolarHBondContact O-OD1 3.17Å; L64-N85 VanDerWaalsContact CB-OD1 3.22Å; L64-N85 WeakPolarHBondContact CB-OD1 3.38Å; L64-N85 WeakPolarHBondContact CG-OD1 3.23Å; L64-N85 PolarHBondContact N-OD1 3.02Å; L82-N85 PolarHBondContact O-ND2 3.06Å; D83-N85 PolarHBondContact O-N 3.25Å; D83-N85 PolarHBondContact O-ND2 2.91Å; N85-F87 HydrophobicContact CB-CD2 3.69Å; N85-F87 HydrophobicContact CB-CE2 3.77Å; N85-N107 PolarHBondContact N-O 3.11Å; N85-N108 WeakPolarHBondContact CA-OD1 3.45Å; N85-N108 VanDerWaalsContact CB-OD1 3.27Å; N85-N108 WeakPolarHBondContact CB-OD1 3.32Å; N85-N108 PolarHBondContact O-OD1 3.41Å; N85-N108 VanDerWaalsContact O-OD1 3.13Å
86	N	97.3	Very high	97.1	Very high	52 Å²	52	40 Å²	40	28%	0.278	21%	0.207	S	C	.	.			trans	-114.6	27.8	-176	-73.2	-53.7	0	0	0	113.2	L64 N65 K88 N108 K109	L64-N86 CarbonylContact O-C 3.5Å; L64-N86 WeakPolarHBondContact O-CA 3.33Å; L64-N86 PolarHBondContact O-N 2.97Å; N65-N86 HydrophobicContact CB-CB 4.35Å; N86-K88 PolarHBondContact O-N 3.15Å; N86-N108 PolarHBondContact N-OD1 2.94Å; N86-K109 PolarHBondContact OD1-NZ 3.29Å
87	F	97.6	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.			trans	-68.8	122.6	179.8	-68.8	-77.6	0	0	0	111.3	L64 N65 S66 L67 L82 N85 P91 N108 K109 L110	L64-F87 HydrophobicContact CB-CE2 3.93Å; L64-F87 HydrophobicContact CB-CZ 3.76Å; N65-F87 VanDerWaalsContact C-CE1 3.47Å; S66-F87 VanDerWaalsContact N-CE1 3.34Å; L67-F87 HydrophobicContact CD1-CE1 4.36Å; L67-F87 HydrophobicContact CD1-CZ 4.19Å; L67-F87 HydrophobicContact CD2-CZ 4.08Å; L67-F87 HydrophobicContact CG-CE1 3.93Å; L67-F87 HydrophobicContact CG-CZ 3.81Å; L82-F87 HydrophobicContact CB-CE2 4.13Å; L82-F87 HydrophobicContact CD1-CE2 4.43Å; L82-F87 HydrophobicContact CD2-CE2 3.95Å; L82-F87 HydrophobicContact CD2-CZ 4.19Å; L82-F87 HydrophobicContact CG-CE2 4.41Å; N85-F87 HydrophobicContact CB-CD2 3.69Å; N85-F87 HydrophobicContact CB-CE2 3.77Å; F87-P91 HydrophobicContact CD1-CG 3.85Å; F87-P91 HydrophobicContact CE1-CG 3.67Å; F87-N108 HydrophobicContact CB-CB 4.43Å; F87-N108 WeakPolarHBondContact CB-OD1 3.31Å; F87-N108 VanDerWaalsContact CD2-OD1 3.32Å; F87-N108 WeakPolarHBondContact CD2-OD1 3.43Å; F87-N108 PolarHBondContact N-OD1 3.2Å; F87-K109 CarbonylContact O-C 3.34Å; F87-K109 WeakPolarHBondContact O-CA 3.19Å; F87-K109 PolarHBondContact O-N 3.21Å; F87-L110 HydrophobicContact CB-CD2 4.06Å; F87-L110 PolarHBondContact O-N 2.73Å
88	K	96.5	Very high	97	Very high	163 Å²	163	42 Å²	42	71%	0.709	21%	0.212	S	C	*	.	S	Bend	trans	-87.7	-24.7	172.5	-64.8	-176.3	-179.7	-179.1	0	113	N86 K109	N86-K88 PolarHBondContact O-N 3.15Å; K88-K109 WeakPolarHBondContact CA-O 3.29Å; K88-K109 HydrophobicContact CG-CB 4.42Å
89	A	96	Very high	97	Very high	62 Å²	62	42.3 Å²	42.3	51%	0.512	21%	0.213	S	C	.	.	S	Bend	trans	-145.7	153.3	174.1	0	0	0	0	0	108.4	P91 L110	A89-P91 WeakPolarHBondContact O-CD 3.29Å; A89-L110 VanDerWaalsContact CA-CD2 3.48Å
90	L	96.6	Very high	97	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	21%	0.207	C	C	.	.			trans	-70.4	122	173.2	178.7	63.4	0	0	0	109.1	Q92 V94 L103 L105 L113 P114 L117	L90-Q92 PolarHBondContact O-N 3.05Å; L90-V94 HydrophobicContact CD1-CB 3.99Å; L90-V94 HydrophobicContact CD1-CG1 4.09Å; L90-V94 HydrophobicContact CD1-CG2 3.97Å; L90-V94 HydrophobicContact CG-CB 4.4Å; L90-L103 HydrophobicContact CD2-CD2 4.37Å; L90-L105 HydrophobicContact CD1-CD1 3.79Å; L90-L105 HydrophobicContact CD1-CD2 3.74Å; L90-L105 HydrophobicContact CD1-CG 4.4Å; L90-L105 HydrophobicContact CD2-CD1 4.34Å; L90-L113 HydrophobicContact CB-CD2 4.37Å; L90-L113 HydrophobicContact CD2-CD2 4.41Å; L90-P114 HydrophobicContact CB-CG 4.08Å; L90-P114 HydrophobicContact CD2-CG 4.11Å; L90-P114 HydrophobicContact CG-CG 4.32Å; L90-L117 HydrophobicContact CD2-CD1 3.82Å
91	P	94.9	Very high	97	Very high	23 Å²	23	42.3 Å²	42.3	15%	0.149	22%	0.216	C	C	.	.			trans	-61.5	131.4	176.6	-25.6	36.8	0	0	0	111.7	L67 F87 A89 V93 V94	L67-P91 HydrophobicContact CB-CB 4.12Å; L67-P91 HydrophobicContact CB-CG 4.09Å; L67-P91 HydrophobicContact CD1-CB 4.44Å; L67-P91 HydrophobicContact CD1-CG 4.06Å; L67-P91 HydrophobicContact CG-CG 4.09Å; F87-P91 HydrophobicContact CD1-CG 3.85Å; F87-P91 HydrophobicContact CE1-CG 3.67Å; A89-P91 WeakPolarHBondContact O-CD 3.29Å; P91-V93 HydrophobicContact CB-CG1 3.96Å; P91-V93 PolarHBondContact O-N 3.17Å; P91-V94 WeakPolarHBondContact O-CB 3.27Å; P91-V94 PolarHBondContact O-N 3.28Å
92	Q	94.2	Very high	97	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-56.2	-28.4	-178.3	-74.2	-177.1	-31.7	0	0	113.3	L90 V94 C95 E116	L90-Q92 PolarHBondContact O-N 3.05Å; Q92-V94 PolarHBondContact O-N 3.36Å; Q92-C95 WeakPolarHBondContact O-CA 3.39Å; Q92-C95 VanDerWaalsContact O-CB 3.26Å; Q92-C95 WeakPolarHBondContact O-CB 3.45Å; Q92-C95 PolarHBondContact O-N 2.97Å; Q92-E116 PolarHBondContact NE2-OE1 3.43Å; Q92-E116 VanDerWaalsContact NE2-OE1 3.08Å; Q92-E116 PolarHBondContact NE2-OE2 3.09Å
93	V	96.6	Very high	97.1	Very high	21 Å²	21	44.1 Å²	44.1	13%	0.127	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.4	-32.3	175.8	65.5	0	0	0	0	112.7	L67 P69 L71 G72 P91 C95 T96	L67-V93 HydrophobicContact CB-CG1 3.86Å; P69-V93 WeakPolarHBondContact O-CG2 3.32Å; L71-V93 HydrophobicContact CB-CG1 4.45Å; L71-V93 HydrophobicContact CB-CG2 3.93Å; L71-V93 HydrophobicContact CD2-CG1 4.27Å; G72-V93 VanDerWaalsContact N-CG2 3.26Å; P91-V93 HydrophobicContact CB-CG1 3.96Å; P91-V93 PolarHBondContact O-N 3.17Å; V93-C95 PolarHBondContact O-N 3.08Å; V93-T96 WeakPolarHBondContact O-CB 3.34Å; V93-T96 PolarHBondContact O-N 3.37Å; V93-T96 VanDerWaalsContact O-N 3.1Å; V93-T96 PolarHBondContact O-OG1 3.49Å
94	V	97.5	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.9	-34.2	176.2	179.5	0	0	0	0	111.1	L67 L71 L80 L90 P91 Q92 T96 L97 L100 L103	L67-V94 HydrophobicContact CD1-CG2 3.58Å; L71-V94 HydrophobicContact CD2-CG2 4.46Å; L80-V94 HydrophobicContact CD2-CG1 3.88Å; L80-V94 HydrophobicContact CD2-CG2 4.01Å; L90-V94 HydrophobicContact CD1-CB 3.99Å; L90-V94 HydrophobicContact CD1-CG1 4.09Å; L90-V94 HydrophobicContact CD1-CG2 3.97Å; L90-V94 HydrophobicContact CG-CB 4.4Å; P91-V94 WeakPolarHBondContact O-CB 3.27Å; P91-V94 PolarHBondContact O-N 3.28Å; Q92-V94 PolarHBondContact O-N 3.36Å; V94-T96 PolarHBondContact O-N 3.13Å; V94-L97 WeakPolarHBondContact O-CB 3.32Å; V94-L97 PolarHBondContact O-N 3.19Å; V94-L100 HydrophobicContact CG1-CD2 4.27Å; V94-L103 HydrophobicContact CG1-CD1 4.1Å; V94-L103 HydrophobicContact CG1-CD2 4.08Å
95	C	96.6	Very high	97.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-70.4	-12	179.5	-56	0	0	0	0	113	Q92 V93 L97 E116	Q92-C95 WeakPolarHBondContact O-CA 3.39Å; Q92-C95 VanDerWaalsContact O-CB 3.26Å; Q92-C95 WeakPolarHBondContact O-CB 3.45Å; Q92-C95 PolarHBondContact O-N 2.97Å; V93-C95 PolarHBondContact O-N 3.08Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-E116 HydrophobicContact CB-CB 3.72Å; C95-E116 WeakPolarHBondContact CB-O 3.15Å
96	T	96.6	Very high	97.1	Very high	58 Å²	58	40.4 Å²	40.4	36%	0.356	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-83.2	-10.6	175.7	73.3	0	0	0	0	113.3	G72 Q75 V93 V94 K98	G72-T96 WeakPolarHBondContact CA-OG1 3.37Å; Q75-T96 PolarHBondContact NE2-O 2.82Å; V93-T96 WeakPolarHBondContact O-CB 3.34Å; V93-T96 PolarHBondContact O-N 3.37Å; V93-T96 VanDerWaalsContact O-N 3.1Å; V93-T96 PolarHBondContact O-OG1 3.49Å; V94-T96 PolarHBondContact O-N 3.13Å; T96-K98 PolarHBondContact O-N 3.17Å; T96-K98 VanDerWaalsContact O-N 3.11Å
97	L	97.3	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-86.4	74.6	-175.6	-55.7	177.7	0	0	0	111.1	L71 L74 L77 L80 V94 C95 Q99 L100 L120	L71-L97 HydrophobicContact CD2-CD1 4.48Å; L71-L97 HydrophobicContact CG-CD1 4.46Å; L74-L97 HydrophobicContact CB-CD2 4.43Å; L77-L97 HydrophobicContact CD2-CD1 3.86Å; L80-L97 HydrophobicContact CD2-CD1 4.24Å; V94-L97 WeakPolarHBondContact O-CB 3.32Å; V94-L97 PolarHBondContact O-N 3.19Å; C95-L97 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.34Å; L97-L100 HydrophobicContact CB-CB 4.41Å; L97-L100 VanDerWaalsContact O-CB 3.22Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.24Å; L97-L120 VanDerWaalsContact O-CD2 3.31Å; L97-L120 WeakPolarHBondContact O-CD2 3.27Å
98	K	95.6	Very high	97.2	Very high	124 Å²	124	41.5 Å²	41.5	54%	0.539	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	-169	-62.8	-179.5	-179.2	179.4	0	115.4	T96 L100 N122	T96-K98 PolarHBondContact O-N 3.17Å; T96-K98 VanDerWaalsContact O-N 3.11Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-N122 PolarHBondContact O-ND2 2.88Å
99	Q	97.8	Very high	97.3	Very high	90 Å²	90	38.6 Å²	38.6	42%	0.421	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.2	177.8	-63.7	-61.2	-22.9	0	0	113.5	Q75 L77 L97 C101	Q75-Q99 WeakPolarHBondContact O-CB 3.35Å; Q75-Q99 WeakPolarHBondContact O-CG 3.4Å; L77-Q99 CarbonylContact O-C 3.42Å; L77-Q99 VanDerWaalsContact O-C 3.24Å; L97-Q99 PolarHBondContact O-N 3.34Å; Q99-C101 PolarHBondContact O-N 3.06Å
100	L	98.4	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.			trans	-64.6	121.6	-176.7	-157	74.6	0	0	0	110.9	L77 L80 V94 L97 K98 L103 L120 N122 L123	L77-L100 HydrophobicContact CD2-CD1 4.26Å; L77-L100 HydrophobicContact CG-CD1 4.35Å; L77-L100 WeakPolarHBondContact O-CA 3.5Å; L77-L100 PolarHBondContact O-N 3.23Å; L80-L100 HydrophobicContact CB-CD1 3.74Å; L80-L100 HydrophobicContact CB-CD2 4.41Å; V94-L100 HydrophobicContact CG1-CD2 4.27Å; L97-L100 HydrophobicContact CB-CB 4.41Å; L97-L100 VanDerWaalsContact O-CB 3.22Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.24Å; K98-L100 VanDerWaalsContact C-N 3.32Å; L100-L103 HydrophobicContact CD2-CB 3.83Å; L100-L103 HydrophobicContact CD2-CD1 4.07Å; L100-L103 HydrophobicContact CD2-CD2 4.18Å; L100-L103 HydrophobicContact CD2-CG 4.24Å; L100-L120 HydrophobicContact CD2-CD1 4.01Å; L100-N122 CarbonylContact O-C 3.33Å; L100-N122 VanDerWaalsContact O-C 3.3Å; L100-L123 HydrophobicContact CB-CD1 4.4Å; L100-L123 HydrophobicContact CD2-CD1 4.11Å; L100-L123 HydrophobicContact CG-CD1 4.15Å; L100-L123 WeakPolarHBondContact O-CA 3.41Å; L100-L123 PolarHBondContact O-N 3.03Å
101	C	98.5	Very high	97.4	Very high	26 Å²	26	39.1 Å²	39.1	18%	0.176	20%	0.198	C	C	.	.			trans	-101.8	-32.6	177.7	-68.3	0	0	0	0	111.9	Q78 Q99 R124 T125	Q78-C101 WeakPolarHBondContact O-CA 3.22Å; Q78-C101 PolarHBondContact O-N 3.07Å; Q99-C101 PolarHBondContact O-N 3.06Å; C101-R124 PolarHBondContact O-N 3.34Å; C101-T125 PolarHBondContact O-N 2.71Å
102	I	98.8	Very high	97.4	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.195	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125	-174.8	-55	-179.7	0	0	0	108.9	Q78 I79 L80 Y104 T125	Q78-I102 PolarHBondContact O-N 2.74Å; I79-I102 WeakPolarHBondContact CA-O 3.5Å; I79-I102 HydrophobicContact CD1-CD1 4.09Å; I79-I102 HydrophobicContact CG1-CB 4.21Å; I79-I102 HydrophobicContact CG1-CD1 4.22Å; I79-I102 HydrophobicContact CG1-CG1 4.43Å; I79-I102 HydrophobicContact CG2-CB 4.27Å; I79-I102 HydrophobicContact CG2-CG2 4.41Å; L80-I102 PolarHBondContact N-O 3.07Å; L80-I102 VanDerWaalsContact N-O 3.07Å; I102-Y104 HydrophobicContact CG2-CD2 3.81Å; I102-Y104 HydrophobicContact CG2-CE1 4.12Å; I102-Y104 HydrophobicContact CG2-CE2 3.25Å; I102-Y104 HydrophobicContact CG2-CG 4.44Å; I102-Y104 VanDerWaalsContact CG2-CZ 3.42Å; I102-T125 WeakPolarHBondContact CA-O 3.24Å; I102-T125 HydrophobicContact CG2-CG2 4.22Å
103	L	98.7	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117	177.3	179.5	54.1	0	0	0	109.6	L80 L90 V94 L100 L105 L117 L120 L123 T125 L126 W127	L80-L103 HydrophobicContact CB-CD1 4.21Å; L80-L103 HydrophobicContact CD2-CD1 4.18Å; L80-L103 HydrophobicContact CG-CD1 4.25Å; L90-L103 HydrophobicContact CD2-CD2 4.37Å; V94-L103 HydrophobicContact CG1-CD1 4.1Å; V94-L103 HydrophobicContact CG1-CD2 4.08Å; L100-L103 HydrophobicContact CD2-CB 3.83Å; L100-L103 HydrophobicContact CD2-CD1 4.07Å; L100-L103 HydrophobicContact CD2-CD2 4.18Å; L100-L103 HydrophobicContact CD2-CG 4.24Å; L103-L105 HydrophobicContact CD1-CD1 4.29Å; L103-L105 HydrophobicContact CD1-CD2 4.28Å; L103-L105 HydrophobicContact CD1-CG 4.02Å; L103-L105 HydrophobicContact CD2-CD1 3.81Å; L103-L105 HydrophobicContact CD2-CG 4.43Å; L103-L105 HydrophobicContact CG-CD1 3.82Å; L103-L105 HydrophobicContact CG-CG 3.94Å; L103-L117 HydrophobicContact CD2-CD1 4.34Å; L103-L120 HydrophobicContact CD2-CD1 4.38Å; L103-L123 HydrophobicContact CB-CD1 3.83Å; L103-L123 HydrophobicContact CB-CD2 4.43Å; L103-T125 PolarHBondContact N-O 3.49Å; L103-L126 HydrophobicContact CB-CD1 4.25Å; L103-L126 HydrophobicContact CD2-CD1 4.14Å; L103-L126 HydrophobicContact CG-CD1 4.23Å; L103-W127 PolarHBondContact O-N 2.88Å
104	Y	98.7	Very high	97.5	Very high	59 Å²	59	37.3 Å²	37.3	23%	0.231	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.4	174	-53.1	-85.9	0	0	0	111.3	I79 L80 A81 L82 D83 I102 W127	I79-Y104 HydrophobicContact CG2-CE2 4.17Å; L80-Y104 PolarHBondContact O-N 2.97Å; A81-Y104 HydrophobicContact CB-CD2 3.79Å; A81-Y104 HydrophobicContact CB-CG 4.42Å; L82-Y104 WeakPolarHBondContact CA-O 3.22Å; L82-Y104 WeakPolarHBondContact CB-O 3.4Å; L82-Y104 PolarHBondContact N-O 3.21Å; D83-Y104 VanDerWaalsContact CG-CB 3.48Å; D83-Y104 WeakPolarHBondContact OD1-CB 3.04Å; D83-Y104 WeakPolarHBondContact OD2-CB 3.33Å; I102-Y104 HydrophobicContact CG2-CD2 3.81Å; I102-Y104 HydrophobicContact CG2-CE1 4.12Å; I102-Y104 HydrophobicContact CG2-CE2 3.25Å; I102-Y104 HydrophobicContact CG2-CG 4.44Å; I102-Y104 VanDerWaalsContact CG2-CZ 3.42Å; Y104-W127 HydrophobicContact CD1-CB 3.65Å; Y104-W127 AromaticContact CD1-CD2 3.99Å; Y104-W127 HydrophobicContact CD1-CD2 3.99Å; Y104-W127 AromaticContact CD1-CE3 3.64Å; Y104-W127 HydrophobicContact CD1-CE3 3.64Å; Y104-W127 HydrophobicContact CD1-CG 4.07Å; Y104-W127 HydrophobicContact CD1-CZ3 4.5Å; Y104-W127 HydrophobicContact CE1-CB 4.49Å; Y104-W127 HydrophobicContact CE1-CD2 4.29Å; Y104-W127 AromaticContact CE1-CE3 3.47Å; Y104-W127 HydrophobicContact CE1-CE3 3.47Å; Y104-W127 VanDerWaalsContact CE1-CE3 3.47Å; Y104-W127 HydrophobicContact CE1-CZ3 4Å; Y104-W127 HydrophobicContact CG-CB 4.42Å
105	L	98.2	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.22	C	C	.	.			trans	-137.2	20	-177.6	-65.4	164.3	0	0	0	110.9	L82 D83 L90 L103 N108 L110 L126 W127 I128 N131	L82-L105 HydrophobicContact CB-CD2 4.07Å; L82-L105 HydrophobicContact CD1-CD2 3.89Å; D83-L105 PolarHBondContact OD1-N 2.92Å; L90-L105 HydrophobicContact CD1-CD1 3.79Å; L90-L105 HydrophobicContact CD1-CD2 3.74Å; L90-L105 HydrophobicContact CD1-CG 4.4Å; L90-L105 HydrophobicContact CD2-CD1 4.34Å; L103-L105 HydrophobicContact CD1-CD1 4.29Å; L103-L105 HydrophobicContact CD1-CD2 4.28Å; L103-L105 HydrophobicContact CD1-CG 4.02Å; L103-L105 HydrophobicContact CD2-CD1 3.81Å; L103-L105 HydrophobicContact CD2-CG 4.43Å; L103-L105 HydrophobicContact CG-CD1 3.82Å; L103-L105 HydrophobicContact CG-CG 3.94Å; L105-N108 PolarHBondContact O-ND2 3.45Å; L105-L110 HydrophobicContact CB-CD1 3.87Å; L105-L110 HydrophobicContact CD1-CD1 4.07Å; L105-L110 HydrophobicContact CD2-CD1 4.5Å; L105-L110 HydrophobicContact CG-CD1 4.39Å; L105-L126 HydrophobicContact CD1-CD1 4.42Å; L105-W127 CarbonylContact C-O 3.48Å; L105-W127 VanDerWaalsContact CA-O 3.31Å; L105-W127 WeakPolarHBondContact CA-O 3.3Å; L105-W127 WeakPolarHBondContact CB-O 3.33Å; L105-W127 PolarHBondContact N-O 3.47Å; L105-I128 HydrophobicContact CB-CG2 4.24Å; L105-I128 HydrophobicContact CD1-CG2 4.21Å; L105-N131 PolarHBondContact O-ND2 3.05Å
106	G	97.6	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.			trans	-63.5	156	-179.8	0	0	0	0	0	112.2	D83 F84 N108 W127 E129	D83-G106 CarbonylContact C-O 3.26Å; D83-G106 WeakPolarHBondContact CA-O 3.45Å; D83-G106 VanDerWaalsContact OD1-CA 3.31Å; D83-G106 WeakPolarHBondContact OD1-CA 3.31Å; D83-G106 PolarHBondContact OD1-N 3.35Å; F84-G106 PolarHBondContact N-O 3.28Å; G106-N108 PolarHBondContact O-N 3Å; G106-N108 PolarHBondContact O-ND2 2.78Å; G106-W127 PolarHBondContact N-O 2.88Å; G106-E129 CarbonylContact C-O 3.3Å; G106-E129 WeakPolarHBondContact CA-O 3.45Å
107	N	98.2	Very high	97.5	Very high	65 Å²	65	41.5 Å²	41.5	35%	0.348	22%	0.217	S	C	.	.	S	Bend	trans	52.7	53	176.7	-67.7	-87	0	0	0	112.6	F84 N85 E129 A130	F84-N107 VanDerWaalsContact CA-O 3.3Å; F84-N107 WeakPolarHBondContact CA-O 3.44Å; F84-N107 HydrophobicContact CB-CB 4.44Å; F84-N107 HydrophobicContact CD1-CB 3.4Å; F84-N107 HydrophobicContact CD2-CB 4.36Å; F84-N107 HydrophobicContact CE1-CB 3.59Å; F84-N107 WeakPolarHBondContact CE1-ND2 3.46Å; F84-N107 HydrophobicContact CG-CB 3.82Å; F84-N107 HydrophobicContact CZ-CB 4.15Å; F84-N107 VanDerWaalsContact CZ-ND2 3.25Å; F84-N107 WeakPolarHBondContact CZ-ND2 3.46Å; F84-N107 PolarHBondContact N-O 2.93Å; N85-N107 PolarHBondContact N-O 3.11Å; N107-E129 PolarHBondContact N-O 3.22Å; N107-A130 VanDerWaalsContact CA-O 3.23Å; N107-A130 WeakPolarHBondContact CA-O 3.31Å; N107-A130 HydrophobicContact CB-CB 4.39Å; N107-A130 PolarHBondContact N-O 3.04Å; N107-A130 WeakPolarHBondContact OD1-CB 3.12Å
108	N	98.3	Very high	97.4	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	23%	0.225	C	C	.	.	S	Bend	trans	-123.8	-162.6	173.9	-86.2	-82	0	0	0	109.2	L82 N85 N86 F87 L105 G106 L110 A130 N131	L82-N108 PolarHBondContact O-ND2 2.78Å; N85-N108 WeakPolarHBondContact CA-OD1 3.45Å; N85-N108 VanDerWaalsContact CB-OD1 3.27Å; N85-N108 WeakPolarHBondContact CB-OD1 3.32Å; N85-N108 PolarHBondContact O-OD1 3.41Å; N85-N108 VanDerWaalsContact O-OD1 3.13Å; N86-N108 PolarHBondContact N-OD1 2.94Å; F87-N108 HydrophobicContact CB-CB 4.43Å; F87-N108 WeakPolarHBondContact CB-OD1 3.31Å; F87-N108 VanDerWaalsContact CD2-OD1 3.32Å; F87-N108 WeakPolarHBondContact CD2-OD1 3.43Å; F87-N108 PolarHBondContact N-OD1 3.2Å; L105-N108 PolarHBondContact O-ND2 3.45Å; G106-N108 PolarHBondContact O-N 3Å; G106-N108 PolarHBondContact O-ND2 2.78Å; N108-L110 HydrophobicContact CB-CG 4.2Å; N108-A130 PolarHBondContact N-O 2.9Å; N108-N131 WeakPolarHBondContact CA-OD1 3.37Å; N108-N131 WeakPolarHBondContact CB-OD1 3.49Å; N108-N131 PolarHBondContact N-OD1 2.82Å; N108-N131 PolarHBondContact O-OD1 3.42Å
109	K	97.8	Very high	97.5	Very high	103 Å²	103	41.2 Å²	41.2	45%	0.448	22%	0.222	S	C	.	.			trans	-121.5	32.3	179.7	-62.4	173.4	-177.8	159.5	0	111	N86 F87 K88 C111 N131	N86-K109 PolarHBondContact OD1-NZ 3.29Å; F87-K109 CarbonylContact O-C 3.34Å; F87-K109 WeakPolarHBondContact O-CA 3.19Å; F87-K109 PolarHBondContact O-N 3.21Å; K88-K109 WeakPolarHBondContact CA-O 3.29Å; K88-K109 HydrophobicContact CG-CB 4.42Å; K109-C111 PolarHBondContact O-N 3.45Å; K109-N131 PolarHBondContact N-OD1 2.9Å
110	L	97.9	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.			trans	-68.5	123.1	-177.6	-59.3	176.8	0	0	0	110.1	F87 A89 L105 N108 L113 N131 C132 L133	F87-L110 HydrophobicContact CB-CD2 4.06Å; F87-L110 PolarHBondContact O-N 2.73Å; A89-L110 VanDerWaalsContact CA-CD2 3.48Å; L105-L110 HydrophobicContact CB-CD1 3.87Å; L105-L110 HydrophobicContact CD1-CD1 4.07Å; L105-L110 HydrophobicContact CD2-CD1 4.5Å; L105-L110 HydrophobicContact CG-CD1 4.39Å; N108-L110 HydrophobicContact CB-CG 4.2Å; L110-L113 HydrophobicContact CD1-CD2 4.29Å; L110-N131 HydrophobicContact CB-CB 4.16Å; L110-N131 VanDerWaalsContact CB-OD1 3.24Å; L110-N131 WeakPolarHBondContact CB-OD1 3.49Å; L110-N131 VanDerWaalsContact CG-OD1 3.3Å; L110-N131 WeakPolarHBondContact CG-OD1 3.4Å; L110-N131 PolarHBondContact N-OD1 2.9Å; L110-C132 CarbonylContact O-C 3.35Å; L110-C132 WeakPolarHBondContact O-CA 3.09Å; L110-C132 PolarHBondContact O-N 3.04Å; L110-L133 PolarHBondContact O-N 3.09Å
111	C	96.6	Very high	97.4	Very high	79 Å²	79	40.9 Å²	40.9	53%	0.534	22%	0.221	S	C	.	.	S	Bend	trans	-99.2	-19	173.6	-62.5	0	0	0	0	112.8	K109	K109-C111 PolarHBondContact O-N 3.45Å
112	D	96	Very high	97.4	Very high	97 Å²	97	42.4 Å²	42.4	52%	0.519	23%	0.227	S	C	.	.			trans	-156.6	170.5	178.9	-158	-1.3	0	0	0	110.5	P137	D112-P137 WeakPolarHBondContact OD1-CG 3.38Å
113	L	96.8	Very high	97.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.218	C	C	.	.			trans	-120.5	137.3	172.9	-64.1	170.6	0	0	0	110.1	L90 L110 L117 L126 I128 P137 V139 V140	L90-L113 HydrophobicContact CB-CD2 4.37Å; L90-L113 HydrophobicContact CD2-CD2 4.41Å; L110-L113 HydrophobicContact CD1-CD2 4.29Å; L113-L117 HydrophobicContact CB-CD2 4.13Å; L113-L117 HydrophobicContact CD1-CD2 3.85Å; L113-L117 HydrophobicContact CG-CD2 4.41Å; L113-L126 HydrophobicContact CD1-CD2 4.47Å; L113-I128 HydrophobicContact CD1-CD1 4.17Å; L113-I128 HydrophobicContact CD1-CG2 4.47Å; L113-P137 HydrophobicContact CB-CB 4.35Å; L113-P137 HydrophobicContact CB-CG 4.06Å; L113-P137 HydrophobicContact CD1-CG 4.37Å; L113-P137 HydrophobicContact CG-CG 4.27Å; L113-V139 HydrophobicContact CB-CG1 4.21Å; L113-V140 HydrophobicContact CD1-CG2 3.71Å
114	P	96	Very high	97.3	Very high	25 Å²	25	45.4 Å²	45.4	16%	0.162	24%	0.236	C	C	.	.			trans	-65.3	149.7	-178.3	27.3	-34.8	0	0	0	112	L90 E116 L117	L90-P114 HydrophobicContact CB-CG 4.08Å; L90-P114 HydrophobicContact CD2-CG 4.11Å; L90-P114 HydrophobicContact CG-CG 4.32Å; P114-E116 VanDerWaalsContact CB-OE2 3.32Å; P114-E116 WeakPolarHBondContact CB-OE2 3.22Å; P114-E116 PolarHBondContact O-N 2.95Å; P114-L117 VanDerWaalsContact O-CB 3.22Å; P114-L117 WeakPolarHBondContact O-CB 3.19Å; P114-L117 PolarHBondContact O-N 3.01Å
115	S	95.8	Very high	97.3	Very high	83 Å²	83	43.8 Å²	43.8	58%	0.58	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-63.1	-26.6	176.9	56.3	0	0	0	0	112.3	L117 S118 V139	S115-L117 PolarHBondContact O-N 2.88Å; S115-L117 VanDerWaalsContact O-N 3.14Å; S115-S118 PolarHBondContact O-N 2.97Å; S115-S118 PolarHBondContact O-OG 3.32Å; S115-V139 VanDerWaalsContact O-CG2 3.28Å; S115-V139 WeakPolarHBondContact O-CG2 3.42Å
116	E	96.9	Very high	97.4	Very high	64 Å²	64	43.7 Å²	43.7	30%	0.299	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.7	-13	175.2	-62.3	84.4	178.4	0	0	113.2	Q92 C95 P114 S118 L119	Q92-E116 PolarHBondContact NE2-OE1 3.43Å; Q92-E116 VanDerWaalsContact NE2-OE1 3.08Å; Q92-E116 PolarHBondContact NE2-OE2 3.09Å; C95-E116 HydrophobicContact CB-CB 3.72Å; C95-E116 WeakPolarHBondContact CB-O 3.15Å; P114-E116 VanDerWaalsContact CB-OE2 3.32Å; P114-E116 WeakPolarHBondContact CB-OE2 3.22Å; P114-E116 PolarHBondContact O-N 2.95Å; E116-S118 PolarHBondContact O-N 3.19Å; E116-S118 VanDerWaalsContact O-N 3.13Å; E116-L119 HydrophobicContact CB-CD1 4.18Å; E116-L119 VanDerWaalsContact O-CB 3.24Å; E116-L119 WeakPolarHBondContact O-CB 3.45Å; E116-L119 VanDerWaalsContact O-CG 3.27Å; E116-L119 WeakPolarHBondContact O-CG 3.45Å; E116-L119 PolarHBondContact O-N 2.66Å
117	L	97.6	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.1	174.8	-175.1	67.6	0	0	0	111.8	L90 L103 L113 P114 S115 L119 L120 L126 V139 L143	L90-L117 HydrophobicContact CD2-CD1 3.82Å; L103-L117 HydrophobicContact CD2-CD1 4.34Å; L113-L117 HydrophobicContact CB-CD2 4.13Å; L113-L117 HydrophobicContact CD1-CD2 3.85Å; L113-L117 HydrophobicContact CG-CD2 4.41Å; P114-L117 VanDerWaalsContact O-CB 3.22Å; P114-L117 WeakPolarHBondContact O-CB 3.19Å; P114-L117 PolarHBondContact O-N 3.01Å; S115-L117 PolarHBondContact O-N 2.88Å; S115-L117 VanDerWaalsContact O-N 3.14Å; L117-L119 PolarHBondContact O-N 2.92Å; L117-L119 VanDerWaalsContact O-N 3.09Å; L117-L120 HydrophobicContact CD1-CD1 3.68Å; L117-L120 HydrophobicContact CD1-CG 4.34Å; L117-L120 WeakPolarHBondContact O-CB 3.44Å; L117-L120 PolarHBondContact O-N 3.06Å; L117-L126 HydrophobicContact CD2-CD2 4.39Å; L117-V139 HydrophobicContact CB-CG1 4.34Å; L117-V139 HydrophobicContact CB-CG2 3.87Å; L117-V139 HydrophobicContact CD2-CG1 4.32Å; L117-L143 HydrophobicContact CD2-CD1 4.35Å; L117-L143 HydrophobicContact CG-CD1 4.45Å; L117-L143 WeakPolarHBondContact O-CD2 3.42Å
118	S	96.3	Very high	97.4	Very high	26 Å²	26	44 Å²	44	18%	0.182	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-60.2	-17.6	174.4	64.2	0	0	0	0	113.4	S115 E116 L120 Q121 V139 E142	S115-S118 PolarHBondContact O-N 2.97Å; S115-S118 PolarHBondContact O-OG 3.32Å; E116-S118 PolarHBondContact O-N 3.19Å; E116-S118 VanDerWaalsContact O-N 3.13Å; S118-L120 PolarHBondContact O-N 2.91Å; S118-Q121 PolarHBondContact O-NE2 3.36Å; S118-V139 VanDerWaalsContact N-CG2 3.33Å; S118-E142 WeakPolarHBondContact CB-OE2 3.43Å
119	L	97	Very high	97.4	Very high	92 Å²	92	46 Å²	46	48%	0.482	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69	-19.2	175.3	-61	175.7	0	0	0	112.8	E116 L117 Q121	E116-L119 HydrophobicContact CB-CD1 4.18Å; E116-L119 VanDerWaalsContact O-CB 3.24Å; E116-L119 WeakPolarHBondContact O-CB 3.45Å; E116-L119 VanDerWaalsContact O-CG 3.27Å; E116-L119 WeakPolarHBondContact O-CG 3.45Å; E116-L119 PolarHBondContact O-N 2.66Å; L117-L119 PolarHBondContact O-N 2.92Å; L117-L119 VanDerWaalsContact O-N 3.09Å; L119-Q121 PolarHBondContact O-N 3.35Å
120	L	97.6	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.			trans	-82.1	60.5	-179.4	-56.4	-170.8	0	0	0	112.1	L97 L100 L103 L117 S118 N122 L123 L143	L97-L120 VanDerWaalsContact O-CD2 3.31Å; L97-L120 WeakPolarHBondContact O-CD2 3.27Å; L100-L120 HydrophobicContact CD2-CD1 4.01Å; L103-L120 HydrophobicContact CD2-CD1 4.38Å; L117-L120 HydrophobicContact CD1-CD1 3.68Å; L117-L120 HydrophobicContact CD1-CG 4.34Å; L117-L120 WeakPolarHBondContact O-CB 3.44Å; L117-L120 PolarHBondContact O-N 3.06Å; S118-L120 PolarHBondContact O-N 2.91Å; L120-N122 PolarHBondContact O-N 3.34Å; L120-N122 VanDerWaalsContact O-N 3.11Å; L120-L123 HydrophobicContact CB-CB 4.21Å; L120-L123 VanDerWaalsContact O-CB 3.27Å; L120-L123 WeakPolarHBondContact O-CB 3.16Å; L120-L123 PolarHBondContact O-N 3.45Å; L120-L143 HydrophobicContact CB-CD2 4.48Å
121	Q	96.1	Very high	97.4	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.3	-174.6	-69.3	-65.3	-38.8	0	0	114.5	S118 L119 S144 L145	S118-Q121 PolarHBondContact O-NE2 3.36Å; L119-Q121 PolarHBondContact O-N 3.35Å; Q121-S144 PolarHBondContact OE1-OG 3.19Å; Q121-L145 WeakPolarHBondContact O-CD1 3.39Å
122	N	98	Very high	97.5	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1	175.3	-70.6	-55.9	0	0	0	113.9	K98 L100 L120 R124	K98-N122 PolarHBondContact O-ND2 2.88Å; L100-N122 CarbonylContact O-C 3.33Å; L100-N122 VanDerWaalsContact O-C 3.3Å; L120-N122 PolarHBondContact O-N 3.34Å; L120-N122 VanDerWaalsContact O-N 3.11Å; N122-R124 PolarHBondContact O-N 3.47Å
123	L	98.5	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-68.7	121.5	-174.3	-158.2	75.6	0	0	0	110.8	L100 L103 L120 L126 L143 L145 L146	L100-L123 HydrophobicContact CB-CD1 4.4Å; L100-L123 HydrophobicContact CD2-CD1 4.11Å; L100-L123 HydrophobicContact CG-CD1 4.15Å; L100-L123 WeakPolarHBondContact O-CA 3.41Å; L100-L123 PolarHBondContact O-N 3.03Å; L103-L123 HydrophobicContact CB-CD1 3.83Å; L103-L123 HydrophobicContact CB-CD2 4.43Å; L120-L123 HydrophobicContact CB-CB 4.21Å; L120-L123 VanDerWaalsContact O-CB 3.27Å; L120-L123 WeakPolarHBondContact O-CB 3.16Å; L120-L123 PolarHBondContact O-N 3.45Å; L123-L126 HydrophobicContact CD2-CB 3.99Å; L123-L126 HydrophobicContact CD2-CD1 4.19Å; L123-L126 HydrophobicContact CD2-CG 4.49Å; L123-L143 HydrophobicContact CD2-CD1 3.95Å; L123-L145 CarbonylContact O-C 3.56Å; L123-L146 HydrophobicContact CD2-CD1 4.31Å; L123-L146 HydrophobicContact CG-CD1 4.39Å; L123-L146 WeakPolarHBondContact O-CA 3.49Å; L123-L146 PolarHBondContact O-N 2.82Å
124	R	98.6	Very high	97.6	Very high	102 Å²	102	41.2 Å²	41.2	39%	0.385	22%	0.222	S	C	.	.			trans	-105.6	-30.7	179.8	-61.9	177.1	-173.4	-90.6	6.9	112	C101 N122 K147 T148	C101-R124 PolarHBondContact O-N 3.34Å; N122-R124 PolarHBondContact O-N 3.47Å; R124-K147 PolarHBondContact O-N 2.97Å; R124-T148 PolarHBondContact O-N 2.94Å
125	T	98.8	Very high	97.6	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127	-179.5	-57.7	0	0	0	0	110.4	C101 I102 L103 T148	C101-T125 PolarHBondContact O-N 2.71Å; I102-T125 WeakPolarHBondContact CA-O 3.24Å; I102-T125 HydrophobicContact CG2-CG2 4.22Å; L103-T125 PolarHBondContact N-O 3.49Å; T125-T148 WeakPolarHBondContact CA-O 3.34Å; T125-T148 HydrophobicContact CG2-CG2 4.08Å
126	L	98.8	Very high	97.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.7	174.4	178.7	60.3	0	0	0	109.5	L103 L105 L113 L117 L123 I128 V140 L143 L146 T148 L149 H150	L103-L126 HydrophobicContact CB-CD1 4.25Å; L103-L126 HydrophobicContact CD2-CD1 4.14Å; L103-L126 HydrophobicContact CG-CD1 4.23Å; L105-L126 HydrophobicContact CD1-CD1 4.42Å; L113-L126 HydrophobicContact CD1-CD2 4.47Å; L117-L126 HydrophobicContact CD2-CD2 4.39Å; L123-L126 HydrophobicContact CD2-CB 3.99Å; L123-L126 HydrophobicContact CD2-CD1 4.19Å; L123-L126 HydrophobicContact CD2-CG 4.49Å; L126-I128 HydrophobicContact CD1-CG2 3.85Å; L126-I128 HydrophobicContact CD2-CD1 4.43Å; L126-I128 HydrophobicContact CD2-CG2 4.45Å; L126-I128 HydrophobicContact CG-CG2 3.99Å; L126-V140 HydrophobicContact CD2-CG1 4.29Å; L126-V140 HydrophobicContact CD2-CG2 4.22Å; L126-L143 HydrophobicContact CD2-CD1 4.27Å; L126-L146 HydrophobicContact CB-CD1 3.84Å; L126-T148 PolarHBondContact N-O 3Å; L126-L149 HydrophobicContact CB-CD1 4.22Å; L126-L149 HydrophobicContact CD2-CD1 4.09Å; L126-L149 HydrophobicContact CG-CD1 4.23Å; L126-H150 PolarHBondContact O-N 3.11Å
127	W	98.6	Very high	97.6	Very high	72 Å²	72	39.9 Å²	39.9	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.4	176.1	-151.7	-56.9	0	0	0	110.3	L103 Y104 L105 G106 E129 H150	L103-W127 PolarHBondContact O-N 2.88Å; Y104-W127 HydrophobicContact CD1-CB 3.65Å; Y104-W127 AromaticContact CD1-CD2 3.99Å; Y104-W127 HydrophobicContact CD1-CD2 3.99Å; Y104-W127 AromaticContact CD1-CE3 3.64Å; Y104-W127 HydrophobicContact CD1-CE3 3.64Å; Y104-W127 HydrophobicContact CD1-CG 4.07Å; Y104-W127 HydrophobicContact CD1-CZ3 4.5Å; Y104-W127 HydrophobicContact CE1-CB 4.49Å; Y104-W127 HydrophobicContact CE1-CD2 4.29Å; Y104-W127 AromaticContact CE1-CE3 3.47Å; Y104-W127 HydrophobicContact CE1-CE3 3.47Å; Y104-W127 VanDerWaalsContact CE1-CE3 3.47Å; Y104-W127 HydrophobicContact CE1-CZ3 4Å; Y104-W127 HydrophobicContact CG-CB 4.42Å; L105-W127 CarbonylContact C-O 3.48Å; L105-W127 VanDerWaalsContact CA-O 3.31Å; L105-W127 WeakPolarHBondContact CA-O 3.3Å; L105-W127 WeakPolarHBondContact CB-O 3.33Å; L105-W127 PolarHBondContact N-O 3.47Å; G106-W127 PolarHBondContact N-O 2.88Å; W127-E129 VanDerWaalsContact NE1-CB 3.31Å; W127-E129 PolarHBondContact NE1-OE2 3.34Å; W127-H150 HydrophobicContact CB-CB 4.38Å; W127-H150 HydrophobicContact CD2-CB 3.81Å; W127-H150 AromaticContact CD2-CG 3.8Å; W127-H150 AromaticContact CE2-CG 3.92Å; W127-H150 AromaticContact CE2-ND1 3.93Å; W127-H150 HydrophobicContact CE3-CB 4.42Å; W127-H150 AromaticContact CE3-CD2 3.81Å; W127-H150 AromaticContact CE3-CG 3.97Å; W127-H150 HydrophobicContact CG-CB 3.74Å; W127-H150 AromaticContact CH2-CE1 3.93Å; W127-H150 AromaticContact CZ2-ND1 3.84Å; W127-H150 AromaticContact CZ3-NE2 3.97Å
128	I	98.3	Very high	97.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.			trans	-131.9	20.1	-179.2	56.7	-178.7	0	0	0	111.1	L105 L113 L126 N131 L133 L136 L149 H150 A151 N154	L105-I128 HydrophobicContact CB-CG2 4.24Å; L105-I128 HydrophobicContact CD1-CG2 4.21Å; L113-I128 HydrophobicContact CD1-CD1 4.17Å; L113-I128 HydrophobicContact CD1-CG2 4.47Å; L126-I128 HydrophobicContact CD1-CG2 3.85Å; L126-I128 HydrophobicContact CD2-CD1 4.43Å; L126-I128 HydrophobicContact CD2-CG2 4.45Å; L126-I128 HydrophobicContact CG-CG2 3.99Å; I128-N131 PolarHBondContact O-ND2 3.39Å; I128-L133 HydrophobicContact CB-CD1 4.25Å; I128-L133 HydrophobicContact CD1-CD1 3.62Å; I128-L133 HydrophobicContact CG1-CD1 4.12Å; I128-L136 HydrophobicContact CD1-CD1 3.98Å; I128-L149 HydrophobicContact CD1-CD1 4.14Å; I128-L149 HydrophobicContact CG1-CD1 4.44Å; I128-H150 CarbonylContact C-O 3.51Å; I128-H150 WeakPolarHBondContact CG1-O 3.29Å; I128-H150 PolarHBondContact N-O 2.93Å; I128-A151 HydrophobicContact CD1-CB 4.05Å; I128-A151 HydrophobicContact CG1-CB 3.86Å; I128-N154 PolarHBondContact O-ND2 2.83Å
129	E	97.7	Very high	97.5	Very high	50 Å²	50	44.9 Å²	44.9	23%	0.234	23%	0.228	C	C	.	.			trans	-57.4	152.5	175.2	-173.9	177.1	-171	0	0	112.5	G106 N107 W127 N131 H150 G152	G106-E129 CarbonylContact C-O 3.3Å; G106-E129 WeakPolarHBondContact CA-O 3.45Å; N107-E129 PolarHBondContact N-O 3.22Å; W127-E129 VanDerWaalsContact NE1-CB 3.31Å; W127-E129 PolarHBondContact NE1-OE2 3.34Å; E129-N131 PolarHBondContact O-N 3.02Å; E129-N131 PolarHBondContact O-ND2 2.77Å; E129-N131 VanDerWaalsContact O-ND2 3.09Å; E129-H150 PolarHBondContact N-O 2.9Å; E129-G152 CarbonylContact C-O 3.29Å; E129-G152 WeakPolarHBondContact CA-O 3.34Å; E129-G152 WeakPolarHBondContact CG-O 3.47Å
130	A	98.1	Very high	97.5	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	21%	0.205	C	C	.	.	S	Bend	trans	55.5	53.1	175.4	0	0	0	0	0	112.1	N107 N108 G152 S153	N107-A130 VanDerWaalsContact CA-O 3.23Å; N107-A130 WeakPolarHBondContact CA-O 3.31Å; N107-A130 HydrophobicContact CB-CB 4.39Å; N107-A130 PolarHBondContact N-O 3.04Å; N107-A130 WeakPolarHBondContact OD1-CB 3.12Å; N108-A130 PolarHBondContact N-O 2.9Å; A130-G152 PolarHBondContact N-O 3.46Å; A130-S153 VanDerWaalsContact CA-O 3.22Å; A130-S153 WeakPolarHBondContact CA-O 3.39Å; A130-S153 PolarHBondContact N-O 2.86Å
131	N	98.5	Very high	97.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	21%	0.205	C	C	.	.	S	Bend	trans	-125.5	-166.9	174.9	-84.6	-77.2	0	0	0	109.8	L105 N108 K109 L110 I128 E129 L133 N154	L105-N131 PolarHBondContact O-ND2 3.05Å; N108-N131 WeakPolarHBondContact CA-OD1 3.37Å; N108-N131 WeakPolarHBondContact CB-OD1 3.49Å; N108-N131 PolarHBondContact N-OD1 2.82Å; N108-N131 PolarHBondContact O-OD1 3.42Å; K109-N131 PolarHBondContact N-OD1 2.9Å; L110-N131 HydrophobicContact CB-CB 4.16Å; L110-N131 VanDerWaalsContact CB-OD1 3.24Å; L110-N131 WeakPolarHBondContact CB-OD1 3.49Å; L110-N131 VanDerWaalsContact CG-OD1 3.3Å; L110-N131 WeakPolarHBondContact CG-OD1 3.4Å; L110-N131 PolarHBondContact N-OD1 2.9Å; I128-N131 PolarHBondContact O-ND2 3.39Å; E129-N131 PolarHBondContact O-N 3.02Å; E129-N131 PolarHBondContact O-ND2 2.77Å; E129-N131 VanDerWaalsContact O-ND2 3.09Å; N131-L133 HydrophobicContact CB-CG 4.47Å; N131-N154 WeakPolarHBondContact CA-OD1 3.39Å; N131-N154 WeakPolarHBondContact CB-OD1 3.42Å; N131-N154 PolarHBondContact N-OD1 2.89Å; N131-N154 PolarHBondContact O-OD1 3.16Å
132	C	97.8	Very high	97.5	Very high	64 Å²	64	41 Å²	41	43%	0.432	21%	0.207	S	C	.	.			trans	-111.1	25.3	-177	-62.6	0	0	0	0	112.8	L110 T134 N154	L110-C132 CarbonylContact O-C 3.35Å; L110-C132 WeakPolarHBondContact O-CA 3.09Å; L110-C132 PolarHBondContact O-N 3.04Å; C132-T134 PolarHBondContact O-N 3Å; C132-N154 PolarHBondContact N-OD1 2.81Å
133	L	97.8	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.			trans	-68.9	124.7	-178.2	-60.3	171.5	0	0	0	110.5	L110 I128 N131 N154 A155 L156	L110-L133 PolarHBondContact O-N 3.09Å; I128-L133 HydrophobicContact CB-CD1 4.25Å; I128-L133 HydrophobicContact CD1-CD1 3.62Å; I128-L133 HydrophobicContact CG1-CD1 4.12Å; N131-L133 HydrophobicContact CB-CG 4.47Å; L133-N154 HydrophobicContact CB-CB 4.26Å; L133-N154 VanDerWaalsContact CB-OD1 3.3Å; L133-N154 WeakPolarHBondContact CB-OD1 3.27Å; L133-N154 WeakPolarHBondContact CG-OD1 3.45Å; L133-N154 PolarHBondContact N-OD1 3.36Å; L133-A155 CarbonylContact O-C 3.53Å; L133-A155 VanDerWaalsContact O-C 3.27Å; L133-A155 VanDerWaalsContact O-CA 3.29Å; L133-A155 WeakPolarHBondContact O-CA 3.37Å; L133-A155 PolarHBondContact O-N 3.34Å; L133-L156 HydrophobicContact CB-CD2 3.93Å; L133-L156 PolarHBondContact O-N 2.71Å
134	T	96.8	Very high	97.4	Very high	86 Å²	86	41 Å²	41	53%	0.528	21%	0.212	S	C	.	.	S	Bend	trans	-93.8	-22.1	175.1	59.8	0	0	0	0	112.5	C132 A155	C132-T134 PolarHBondContact O-N 3Å; T134-A155 HydrophobicContact CG2-CB 4.26Å
135	Q	96.4	Very high	97.3	Very high	122 Å²	122	39 Å²	39	57%	0.57	21%	0.208	S	C	*	.	S	Bend	trans	-140.9	153.7	174.3	-63.6	-175.7	-16.4	0	0	108.5	P137	Q135-P137 WeakPolarHBondContact O-CD 3.46Å
136	L	97.1	Very high	97.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.201	C	C	.	.			trans	-83.1	116.7	171.8	-176.6	69.7	0	0	0	107.7	I128 V140 L149 L156 L159 L163	I128-L136 HydrophobicContact CD1-CD1 3.98Å; L136-V140 HydrophobicContact CD1-CB 4.38Å; L136-V140 HydrophobicContact CD1-CG1 4.35Å; L136-V140 HydrophobicContact CD1-CG2 4.06Å; L136-V140 HydrophobicContact CD2-CG1 4.46Å; L136-V140 HydrophobicContact CG-CB 4.38Å; L136-V140 HydrophobicContact CG-CG2 4.45Å; L136-L149 HydrophobicContact CD1-CD2 4.38Å; L136-L149 HydrophobicContact CD2-CD2 3.93Å; L136-L156 HydrophobicContact CB-CD2 4.41Å; L136-L159 HydrophobicContact CB-CD2 4.31Å; L136-L159 HydrophobicContact CD2-CD2 4.21Å; L136-L163 HydrophobicContact CD2-CD1 3.87Å
137	P	95.6	Very high	97.3	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.097	22%	0.217	C	C	.	.			trans	-60.5	140.8	-175.6	-27.5	39	0	0	0	112.3	D112 L113 Q135 V139 V140	D112-P137 WeakPolarHBondContact OD1-CG 3.38Å; L113-P137 HydrophobicContact CB-CB 4.35Å; L113-P137 HydrophobicContact CB-CG 4.06Å; L113-P137 HydrophobicContact CD1-CG 4.37Å; L113-P137 HydrophobicContact CG-CG 4.27Å; Q135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-V139 HydrophobicContact CB-CG1 3.88Å; P137-V139 PolarHBondContact O-N 3.04Å; P137-V139 VanDerWaalsContact O-N 3.14Å; P137-V140 WeakPolarHBondContact O-CB 3.48Å; P137-V140 PolarHBondContact O-N 2.82Å
138	E	94.8	Very high	97.3	Very high	119 Å²	119	39.4 Å²	39.4	56%	0.556	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-59.7	-28	-177.6	-68.8	-166.2	173.7	0	0	112.9	V140 C141 P160	E138-V140 PolarHBondContact O-N 3.28Å; E138-V140 VanDerWaalsContact O-N 3.15Å; E138-C141 WeakPolarHBondContact O-CA 3.19Å; E138-C141 WeakPolarHBondContact O-CB 3.43Å; E138-C141 PolarHBondContact O-N 2.78Å; E138-P160 HydrophobicContact CG-CB 4.49Å
139	V	96.8	Very high	97.3	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.079	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-56.2	-30	176.4	67.9	0	0	0	0	112.8	L113 S115 L117 S118 P137 C141 E142	L113-V139 HydrophobicContact CB-CG1 4.21Å; S115-V139 VanDerWaalsContact O-CG2 3.28Å; S115-V139 WeakPolarHBondContact O-CG2 3.42Å; L117-V139 HydrophobicContact CB-CG1 4.34Å; L117-V139 HydrophobicContact CB-CG2 3.87Å; L117-V139 HydrophobicContact CD2-CG1 4.32Å; S118-V139 VanDerWaalsContact N-CG2 3.33Å; P137-V139 HydrophobicContact CB-CG1 3.88Å; P137-V139 PolarHBondContact O-N 3.04Å; P137-V139 VanDerWaalsContact O-N 3.14Å; V139-C141 PolarHBondContact O-N 3Å; V139-E142 WeakPolarHBondContact O-CB 3.31Å; V139-E142 PolarHBondContact O-N 3.26Å; V139-E142 VanDerWaalsContact O-N 3.09Å
140	V	97.6	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.6	-28.9	175.3	179.4	0	0	0	0	111.1	L113 L126 L136 P137 E138 E142 L143 L146 L149	L113-V140 HydrophobicContact CD1-CG2 3.71Å; L126-V140 HydrophobicContact CD2-CG1 4.29Å; L126-V140 HydrophobicContact CD2-CG2 4.22Å; L136-V140 HydrophobicContact CD1-CB 4.38Å; L136-V140 HydrophobicContact CD1-CG1 4.35Å; L136-V140 HydrophobicContact CD1-CG2 4.06Å; L136-V140 HydrophobicContact CD2-CG1 4.46Å; L136-V140 HydrophobicContact CG-CB 4.38Å; L136-V140 HydrophobicContact CG-CG2 4.45Å; P137-V140 WeakPolarHBondContact O-CB 3.48Å; P137-V140 PolarHBondContact O-N 2.82Å; E138-V140 PolarHBondContact O-N 3.28Å; E138-V140 VanDerWaalsContact O-N 3.15Å; V140-E142 PolarHBondContact O-N 2.79Å; V140-L143 PolarHBondContact O-N 2.86Å; V140-L146 HydrophobicContact CG1-CD2 4.18Å; V140-L149 HydrophobicContact CG1-CD1 4.25Å; V140-L149 HydrophobicContact CG1-CD2 4.13Å
141	C	96.8	Very high	97.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75.9	-7.2	178.8	-53.7	0	0	0	0	113.2	E138 V139 P160 Q162 L163	E138-C141 WeakPolarHBondContact O-CA 3.19Å; E138-C141 WeakPolarHBondContact O-CB 3.43Å; E138-C141 PolarHBondContact O-N 2.78Å; V139-C141 PolarHBondContact O-N 3Å; C141-P160 VanDerWaalsContact SG-CG 3.59Å; C141-Q162 HydrophobicContact CB-CB 3.97Å; C141-L163 VanDerWaalsContact SG-CA 3.55Å; C141-L163 PolarHBondContact SG-N 3.2Å; C141-L163 VanDerWaalsContact SG-N 3.43Å
142	E	97.1	Very high	97.4	Very high	91 Å²	91	36.4 Å²	36.4	43%	0.425	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-93	-8.1	177.2	-57.4	-175.8	176.8	0	0	112.7	S118 V139 V140 S144	S118-E142 WeakPolarHBondContact CB-OE2 3.43Å; V139-E142 WeakPolarHBondContact O-CB 3.31Å; V139-E142 PolarHBondContact O-N 3.26Å; V139-E142 VanDerWaalsContact O-N 3.09Å; V140-E142 PolarHBondContact O-N 2.79Å; E142-S144 VanDerWaalsContact C-N 3.3Å; E142-S144 PolarHBondContact O-N 2.96Å
143	L	97.6	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.192	C	C	.	.			trans	-80.8	72.7	179.6	-58.9	175.8	0	0	0	111	L117 L120 L123 L126 V140 L145 L146 L166	L117-L143 HydrophobicContact CD2-CD1 4.35Å; L117-L143 HydrophobicContact CG-CD1 4.45Å; L117-L143 WeakPolarHBondContact O-CD2 3.42Å; L120-L143 HydrophobicContact CB-CD2 4.48Å; L123-L143 HydrophobicContact CD2-CD1 3.95Å; L126-L143 HydrophobicContact CD2-CD1 4.27Å; V140-L143 PolarHBondContact O-N 2.86Å; L143-L145 PolarHBondContact O-N 2.85Å; L143-L146 HydrophobicContact CB-CB 4.03Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 2.77Å; L143-L166 VanDerWaalsContact O-CD2 3.23Å; L143-L166 WeakPolarHBondContact O-CD2 3.17Å
144	S	95.2	Very high	97.4	Very high	57 Å²	57	36.6 Å²	36.6	40%	0.399	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.1	-169.3	61.9	0	0	0	0	115.9	Q121 E142	Q121-S144 PolarHBondContact OE1-OG 3.19Å; E142-S144 VanDerWaalsContact C-N 3.3Å; E142-S144 PolarHBondContact O-N 2.96Å
145	L	98	Very high	97.5	Very high	59 Å²	59	33.2 Å²	33.2	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.8	179.6	-61	-172.7	0	0	0	114.4	Q121 L123 L143 K147	Q121-L145 WeakPolarHBondContact O-CD1 3.39Å; L123-L145 CarbonylContact O-C 3.56Å; L143-L145 PolarHBondContact O-N 2.85Å; L145-K147 PolarHBondContact O-N 2.92Å
146	L	98.6	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.			trans	-66.5	120.8	-177.9	-164	74.3	0	0	0	110.5	L123 L126 V140 L143 L149 L166 E168 L169	L123-L146 HydrophobicContact CD2-CD1 4.31Å; L123-L146 HydrophobicContact CG-CD1 4.39Å; L123-L146 WeakPolarHBondContact O-CA 3.49Å; L123-L146 PolarHBondContact O-N 2.82Å; L126-L146 HydrophobicContact CB-CD1 3.84Å; V140-L146 HydrophobicContact CG1-CD2 4.18Å; L143-L146 HydrophobicContact CB-CB 4.03Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 2.77Å; L146-L149 HydrophobicContact CD2-CB 4.11Å; L146-L149 HydrophobicContact CD2-CD1 4.41Å; L146-L166 HydrophobicContact CD2-CD1 4.08Å; L146-E168 CarbonylContact O-C 3.35Å; L146-E168 VanDerWaalsContact O-C 3.24Å; L146-L169 HydrophobicContact CD2-CD1 4.23Å; L146-L169 HydrophobicContact CG-CD1 4.22Å; L146-L169 VanDerWaalsContact O-CA 3.24Å; L146-L169 WeakPolarHBondContact O-CA 3.21Å; L146-L169 PolarHBondContact O-N 3.49Å; L146-L169 VanDerWaalsContact O-N 3.11Å
147	K	98.6	Very high	97.6	Very high	76 Å²	76	34.8 Å²	34.8	33%	0.33	18%	0.176	S	C	.	.			trans	-102	-33.3	179.2	-63.5	-173	173.4	-174.7	0	112.2	R124 L145 E168 R170 T171	R124-K147 PolarHBondContact O-N 2.97Å; L145-K147 PolarHBondContact O-N 2.92Å; K147-E168 WeakPolarHBondContact CA-O 3.22Å; K147-E168 HydrophobicContact CG-CB 4.41Å; K147-R170 PolarHBondContact O-N 3.01Å; K147-T171 PolarHBondContact O-N 3.15Å
148	T	98.8	Very high	97.6	Very high	30 Å²	30	38.8 Å²	38.8	18%	0.184	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.3	-173	-54.4	0	0	0	0	110.2	R124 T125 L126 H150 T171	R124-T148 PolarHBondContact O-N 2.94Å; T125-T148 WeakPolarHBondContact CA-O 3.34Å; T125-T148 HydrophobicContact CG2-CG2 4.08Å; L126-T148 PolarHBondContact N-O 3Å; T148-H150 WeakPolarHBondContact CG2-CD2 3.35Å; T148-H150 WeakPolarHBondContact CG2-NE2 3.48Å; T148-T171 WeakPolarHBondContact CA-OG1 3.33Å; T148-T171 WeakPolarHBondContact CB-OG1 3.3Å; T148-T171 WeakPolarHBondContact CG2-OG1 3.32Å; T148-T171 PolarHBondContact OG1-OG1 3.02Å
149	L	98.7	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.8	173.5	177.6	60.8	0	0	0	110.1	L126 I128 L136 V140 L146 A151 L169 T171 I172 W173	L126-L149 HydrophobicContact CB-CD1 4.22Å; L126-L149 HydrophobicContact CD2-CD1 4.09Å; L126-L149 HydrophobicContact CG-CD1 4.23Å; I128-L149 HydrophobicContact CD1-CD1 4.14Å; I128-L149 HydrophobicContact CG1-CD1 4.44Å; L136-L149 HydrophobicContact CD1-CD2 4.38Å; L136-L149 HydrophobicContact CD2-CD2 3.93Å; V140-L149 HydrophobicContact CG1-CD1 4.25Å; V140-L149 HydrophobicContact CG1-CD2 4.13Å; L146-L149 HydrophobicContact CD2-CB 4.11Å; L146-L149 HydrophobicContact CD2-CD1 4.41Å; L149-A151 HydrophobicContact CG-CB 4.47Å; L149-L169 HydrophobicContact CB-CD1 4.06Å; L149-T171 PolarHBondContact N-O 3.44Å; L149-I172 HydrophobicContact CB-CG1 4.45Å; L149-I172 HydrophobicContact CD2-CD1 4.32Å; L149-I172 HydrophobicContact CD2-CG1 4.4Å; L149-I172 WeakPolarHBondContact O-CA 3.3Å; L149-W173 PolarHBondContact O-N 2.83Å
150	H	98.6	Very high	97.7	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.102	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.9	169.9	-70.7	-105.9	0	0	0	109.7	L126 W127 I128 E129 T148 W173	L126-H150 PolarHBondContact O-N 3.11Å; W127-H150 HydrophobicContact CB-CB 4.38Å; W127-H150 HydrophobicContact CD2-CB 3.81Å; W127-H150 AromaticContact CD2-CG 3.8Å; W127-H150 AromaticContact CE2-CG 3.92Å; W127-H150 AromaticContact CE2-ND1 3.93Å; W127-H150 HydrophobicContact CE3-CB 4.42Å; W127-H150 AromaticContact CE3-CD2 3.81Å; W127-H150 AromaticContact CE3-CG 3.97Å; W127-H150 HydrophobicContact CG-CB 3.74Å; W127-H150 AromaticContact CH2-CE1 3.93Å; W127-H150 AromaticContact CZ2-ND1 3.84Å; W127-H150 AromaticContact CZ3-NE2 3.97Å; I128-H150 CarbonylContact C-O 3.51Å; I128-H150 WeakPolarHBondContact CG1-O 3.29Å; I128-H150 PolarHBondContact N-O 2.93Å; E129-H150 PolarHBondContact N-O 2.9Å; T148-H150 WeakPolarHBondContact CG2-CD2 3.35Å; T148-H150 WeakPolarHBondContact CG2-NE2 3.48Å; H150-W173 AromaticContact CD2-CD1 3.89Å; H150-W173 AromaticContact CE1-CD1 3.18Å; H150-W173 AromaticContact CE1-CD2 3.83Å; H150-W173 AromaticContact CE1-CE2 3.68Å; H150-W173 AromaticContact CE1-CG 3.57Å; H150-W173 AromaticContact CE1-NE1 3.24Å; H150-W173 PolarHBondContact CE1-NE1 2.82Å; H150-W173 AromaticContact CG-CD1 3.84Å; H150-W173 AromaticContact ND1-CD1 3.42Å; H150-W173 AromaticContact ND1-CD2 3.99Å; H150-W173 AromaticContact ND1-CG 3.45Å; H150-W173 AromaticContact ND1-NE1 3.93Å; H150-W173 AromaticContact NE2-CD1 3.47Å; H150-W173 AromaticContact NE2-NE1 3.53Å
151	A	98.3	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.			trans	-130.7	30.5	178.6	0	0	0	0	0	111.8	I128 L149 N154 L156 W173 L174 N177	I128-A151 HydrophobicContact CD1-CB 4.05Å; I128-A151 HydrophobicContact CG1-CB 3.86Å; L149-A151 HydrophobicContact CG-CB 4.47Å; A151-N154 PolarHBondContact O-ND2 2.89Å; A151-L156 HydrophobicContact CB-CD1 4.09Å; A151-W173 CarbonylContact C-O 3.42Å; A151-W173 WeakPolarHBondContact CA-O 3.21Å; A151-W173 PolarHBondContact N-O 3.45Å; A151-L174 HydrophobicContact CB-CD2 4.09Å; A151-N177 PolarHBondContact O-ND2 2.74Å
152	G	97.8	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.01	21%	0.209	C	C	.	.			trans	-67.1	170.4	175.6	0	0	0	0	0	113.2	E129 A130 N154 W173 S175	E129-G152 CarbonylContact C-O 3.29Å; E129-G152 WeakPolarHBondContact CA-O 3.34Å; E129-G152 WeakPolarHBondContact CG-O 3.47Å; A130-G152 PolarHBondContact N-O 3.46Å; G152-N154 VanDerWaalsContact C-N 3.26Å; G152-N154 PolarHBondContact O-N 3.06Å; G152-N154 VanDerWaalsContact O-N 3.14Å; G152-N154 PolarHBondContact O-ND2 3.22Å; G152-W173 PolarHBondContact N-O 2.94Å; G152-S175 CarbonylContact C-O 3.24Å; G152-S175 VanDerWaalsContact C-O 3.29Å; G152-S175 WeakPolarHBondContact CA-O 3.47Å
153	S	98.3	Very high	97.6	Very high	55 Å²	55	34.7 Å²	34.7	39%	0.385	19%	0.189	S	C	.	.	S	Bend	trans	46.9	45.7	176.4	-59.5	0	0	0	0	113.7	A130 S175 G176	A130-S153 VanDerWaalsContact CA-O 3.22Å; A130-S153 WeakPolarHBondContact CA-O 3.39Å; A130-S153 PolarHBondContact N-O 2.86Å; S153-S175 PolarHBondContact N-O 2.85Å; S153-G176 VanDerWaalsContact CA-O 3.29Å; S153-G176 WeakPolarHBondContact CA-O 3.22Å
154	N	98.6	Very high	97.6	Very high	13 Å²	13	42 Å²	42	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	-118.7	-165.5	175.3	-85.9	-83.3	0	0	0	109.3	I128 N131 C132 L133 A151 G152 L156 G176 N177	I128-N154 PolarHBondContact O-ND2 2.83Å; N131-N154 WeakPolarHBondContact CA-OD1 3.39Å; N131-N154 WeakPolarHBondContact CB-OD1 3.42Å; N131-N154 PolarHBondContact N-OD1 2.89Å; N131-N154 PolarHBondContact O-OD1 3.16Å; C132-N154 PolarHBondContact N-OD1 2.81Å; L133-N154 HydrophobicContact CB-CB 4.26Å; L133-N154 VanDerWaalsContact CB-OD1 3.3Å; L133-N154 WeakPolarHBondContact CB-OD1 3.27Å; L133-N154 WeakPolarHBondContact CG-OD1 3.45Å; L133-N154 PolarHBondContact N-OD1 3.36Å; A151-N154 PolarHBondContact O-ND2 2.89Å; G152-N154 VanDerWaalsContact C-N 3.26Å; G152-N154 PolarHBondContact O-N 3.06Å; G152-N154 VanDerWaalsContact O-N 3.14Å; G152-N154 PolarHBondContact O-ND2 3.22Å; N154-L156 HydrophobicContact CB-CG 4.06Å; N154-G176 PolarHBondContact N-O 3.2Å; N154-N177 WeakPolarHBondContact CA-OD1 3.5Å; N154-N177 WeakPolarHBondContact CB-OD1 3.33Å; N154-N177 PolarHBondContact N-OD1 2.77Å; N154-N177 PolarHBondContact O-OD1 3.41Å
155	A	98	Very high	97.6	Very high	16 Å²	16	46.3 Å²	46.3	13%	0.132	22%	0.224	C	C	.	.			trans	-111.7	27.3	175.7	0	0	0	0	0	112.5	L133 T134 R157	L133-A155 CarbonylContact O-C 3.53Å; L133-A155 VanDerWaalsContact O-C 3.27Å; L133-A155 VanDerWaalsContact O-CA 3.29Å; L133-A155 WeakPolarHBondContact O-CA 3.37Å; L133-A155 PolarHBondContact O-N 3.34Å; T134-A155 HydrophobicContact CG2-CB 4.26Å; A155-R157 PolarHBondContact O-N 2.95Å
156	L	98.2	Very high	97.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.21	C	C	.	.			trans	-63.2	126	-176.2	-57.2	178.9	0	0	0	110.8	L133 L136 A151 N154 L159 L174 N177 R178 L179	L133-L156 HydrophobicContact CB-CD2 3.93Å; L133-L156 PolarHBondContact O-N 2.71Å; L136-L156 HydrophobicContact CB-CD2 4.41Å; A151-L156 HydrophobicContact CB-CD1 4.09Å; N154-L156 HydrophobicContact CB-CG 4.06Å; L156-L159 HydrophobicContact CD1-CD2 4.47Å; L156-L174 HydrophobicContact CD1-CD2 4.1Å; L156-N177 HydrophobicContact CB-CB 4.17Å; L156-N177 WeakPolarHBondContact CB-OD1 3.36Å; L156-N177 VanDerWaalsContact CG-OD1 3.22Å; L156-N177 WeakPolarHBondContact CG-OD1 3.34Å; L156-N177 PolarHBondContact N-OD1 3.47Å; L156-R178 CarbonylContact O-C 3.27Å; L156-R178 VanDerWaalsContact O-C 3.23Å; L156-R178 WeakPolarHBondContact O-CA 3.23Å; L156-R178 PolarHBondContact O-N 3.19Å; L156-L179 PolarHBondContact O-N 3.1Å
157	R	97.1	Very high	97.4	Very high	160 Å²	160	48.6 Å²	48.6	60%	0.604	23%	0.233	S	C	*	.			trans	-100.4	-26.1	175.9	-61.3	-176.1	-173.8	-165.5	1.7	113.2	A155 R178	A155-R157 PolarHBondContact O-N 2.95Å; R157-R178 HydrophobicContact CG-CB 4.2Å
158	L	96.2	Very high	97.3	Very high	99 Å²	99	48.3 Å²	48.3	52%	0.518	23%	0.233	S	C	.	.			trans	-156	156.3	-174.5	50.7	95.1	0	0	0	109.9
159	L	97.4	Very high	97.3	Very high	18 Å²	18	47 Å²	47	9%	0.094	23%	0.225	C	C	.	.			trans	-106.7	144.2	172.7	-59.8	-179.6	0	0	0	109.6	L136 L156 L163 I172 L174 P183 V185 L186	L136-L159 HydrophobicContact CB-CD2 4.31Å; L136-L159 HydrophobicContact CD2-CD2 4.21Å; L156-L159 HydrophobicContact CD1-CD2 4.47Å; L159-L163 HydrophobicContact CB-CD2 4.27Å; L159-L163 HydrophobicContact CD1-CD2 3.77Å; L159-I172 HydrophobicContact CD1-CD1 4.36Å; L159-L174 HydrophobicContact CD1-CD1 3.61Å; L159-L174 HydrophobicContact CD2-CD1 4.29Å; L159-L174 HydrophobicContact CD2-CD2 4.12Å; L159-L174 HydrophobicContact CG-CD1 4.39Å; L159-P183 HydrophobicContact CB-CB 4.35Å; L159-P183 HydrophobicContact CD1-CB 3.62Å; L159-P183 HydrophobicContact CD1-CG 3.76Å; L159-P183 HydrophobicContact CG-CB 4.05Å; L159-P183 HydrophobicContact CG-CG 4.1Å; L159-V185 HydrophobicContact CB-CG1 4.03Å; L159-V185 HydrophobicContact CD1-CG1 4.27Å; L159-L186 HydrophobicContact CD1-CD1 4.33Å; L159-L186 HydrophobicContact CD1-CD2 4.18Å; L159-L186 HydrophobicContact CD1-CG 4.29Å
160	P	96.6	Very high	97.3	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.104	24%	0.235	C	C	.	.			trans	-64.3	142.1	176.2	27.1	-34.5	0	0	0	111	E138 C141 Q162 L163	E138-P160 HydrophobicContact CG-CB 4.49Å; C141-P160 VanDerWaalsContact SG-CG 3.59Å; P160-Q162 PolarHBondContact O-N 2.89Å; P160-L163 VanDerWaalsContact O-CB 3.23Å; P160-L163 WeakPolarHBondContact O-CB 3.46Å; P160-L163 PolarHBondContact O-N 2.8Å; P160-L163 VanDerWaalsContact O-N 3.11Å
161	G	95.7	Very high	97.3	Very high	41 Å²	41	49.7 Å²	49.7	42%	0.423	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.3	-23.6	177.8	0	0	0	0	0	113.1	L163 R164 V185	G161-L163 PolarHBondContact O-N 3.26Å; G161-R164 WeakPolarHBondContact O-CG 3.21Å; G161-V185 WeakPolarHBondContact O-CG2 3.12Å
162	Q	96.9	Very high	97.3	Very high	63 Å²	63	49.7 Å²	49.7	29%	0.294	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.8	-14.6	176.5	-67.6	74	4.3	0	0	112.3	C141 P160 R164 R165	C141-Q162 HydrophobicContact CB-CB 3.97Å; P160-Q162 PolarHBondContact O-N 2.89Å; Q162-R164 PolarHBondContact O-N 3.04Å; Q162-R165 VanDerWaalsContact O-CB 3.23Å; Q162-R165 WeakPolarHBondContact O-CB 3.12Å; Q162-R165 VanDerWaalsContact O-CG 3.27Å; Q162-R165 WeakPolarHBondContact O-CG 3.02Å; Q162-R165 PolarHBondContact O-N 3.1Å
163	L	97.4	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-56.3	-26.8	177.4	-167.9	69	0	0	0	112.4	L136 C141 L159 P160 G161 R165 L166 I172 V185 L186 M189	L136-L163 HydrophobicContact CD2-CD1 3.87Å; C141-L163 VanDerWaalsContact SG-CA 3.55Å; C141-L163 PolarHBondContact SG-N 3.2Å; C141-L163 VanDerWaalsContact SG-N 3.43Å; L159-L163 HydrophobicContact CB-CD2 4.27Å; L159-L163 HydrophobicContact CD1-CD2 3.77Å; P160-L163 VanDerWaalsContact O-CB 3.23Å; P160-L163 WeakPolarHBondContact O-CB 3.46Å; P160-L163 PolarHBondContact O-N 2.8Å; P160-L163 VanDerWaalsContact O-N 3.11Å; G161-L163 PolarHBondContact O-N 3.26Å; L163-R165 PolarHBondContact O-N 3.31Å; L163-L166 HydrophobicContact CD1-CD1 3.61Å; L163-L166 HydrophobicContact CD1-CG 4.38Å; L163-L166 WeakPolarHBondContact O-CB 3.46Å; L163-L166 PolarHBondContact O-N 3.26Å; L163-I172 HydrophobicContact CD2-CD1 3.96Å; L163-V185 HydrophobicContact CB-CG1 4.41Å; L163-V185 HydrophobicContact CB-CG2 3.99Å; L163-V185 HydrophobicContact CD2-CG1 4.21Å; L163-L186 HydrophobicContact CD2-CD2 4.06Å; L163-M189 HydrophobicContact CG-SD 4.32Å; L163-M189 WeakPolarHBondContact O-CE 3.24Å
164	R	96	Very high	97.4	Very high	156 Å²	156	50.5 Å²	50.5	59%	0.589	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-57.5	-16.3	171.8	75.8	-174.9	-178	171.1	-0.6	114.2	G161 Q162 L166 Q167 V185	G161-R164 WeakPolarHBondContact O-CG 3.21Å; Q162-R164 PolarHBondContact O-N 3.04Å; R164-L166 PolarHBondContact O-N 3.38Å; R164-Q167 PolarHBondContact O-NE2 2.97Å; R164-V185 HydrophobicContact CB-CG2 4.02Å
165	R	96.1	Very high	97.4	Very high	147 Å²	147	50.7 Å²	50.7	56%	0.555	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-68.8	-21.2	175.7	-69.5	176.1	178.5	164.1	-0.5	112.3	Q162 L163 Q167	Q162-R165 VanDerWaalsContact O-CB 3.23Å; Q162-R165 WeakPolarHBondContact O-CB 3.12Å; Q162-R165 VanDerWaalsContact O-CG 3.27Å; Q162-R165 WeakPolarHBondContact O-CG 3.02Å; Q162-R165 PolarHBondContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 3.31Å; R165-Q167 VanDerWaalsContact C-N 3.3Å; R165-Q167 PolarHBondContact O-N 3.38Å
166	L	97.2	Very high	97.4	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	24%	0.237	C	C	.	.			trans	-78.3	76.3	179.5	-56.1	-174.1	0	0	0	111.2	L143 L146 L163 R164 E168 L169 M189	L143-L166 VanDerWaalsContact O-CD2 3.23Å; L143-L166 WeakPolarHBondContact O-CD2 3.17Å; L146-L166 HydrophobicContact CD2-CD1 4.08Å; L163-L166 HydrophobicContact CD1-CD1 3.61Å; L163-L166 HydrophobicContact CD1-CG 4.38Å; L163-L166 WeakPolarHBondContact O-CB 3.46Å; L163-L166 PolarHBondContact O-N 3.26Å; R164-L166 PolarHBondContact O-N 3.38Å; L166-E168 PolarHBondContact O-N 3.29Å; L166-L169 HydrophobicContact CB-CB 3.95Å; L166-L169 HydrophobicContact CD1-CD2 4.34Å; L166-L169 WeakPolarHBondContact O-CB 3.17Å; L166-L169 PolarHBondContact O-N 3.43Å; L166-M189 HydrophobicContact CB-CE 4.21Å
167	Q	94.7	Very high	97.4	Very high	104 Å²	104	51.3 Å²	51.3	49%	0.486	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23	-177.7	-61.3	-62.1	-43.5	0	0	113.1	R164 R165 R170 F191	R164-Q167 PolarHBondContact O-NE2 2.97Å; R165-Q167 VanDerWaalsContact C-N 3.3Å; R165-Q167 PolarHBondContact O-N 3.38Å; Q167-R170 PolarHBondContact O-NH1 3.14Å; Q167-F191 WeakPolarHBondContact O-CD2 3.23Å
168	E	97.4	Very high	97.4	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.5	177	-67.8	-57.1	133.5	0	0	113.8	L146 K147 L166 R170	L146-E168 CarbonylContact O-C 3.35Å; L146-E168 VanDerWaalsContact O-C 3.24Å; K147-E168 WeakPolarHBondContact CA-O 3.22Å; K147-E168 HydrophobicContact CG-CB 4.41Å; L166-E168 PolarHBondContact O-N 3.29Å; E168-R170 VanDerWaalsContact CA-NH1 3.33Å; E168-R170 PolarHBondContact O-N 2.9Å; E168-R170 PolarHBondContact O-NH1 2.94Å; E168-R170 VanDerWaalsContact O-NH1 3.1Å; E168-R170 IonicContact OE2-CZ 3.92Å; E168-R170 IonicContact OE2-NH2 3.16Å; E168-R170 PolarHBondContact OE2-NH2 3.39Å; E168-R170 VanDerWaalsContact OE2-NH2 3.16Å
169	L	98.5	Very high	97.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	21%	0.212	C	C	.	.			trans	-66.6	126.3	-177.3	-160.9	71.7	0	0	0	110.3	L146 L149 L166 I172 M189 L192	L146-L169 HydrophobicContact CD2-CD1 4.23Å; L146-L169 HydrophobicContact CG-CD1 4.22Å; L146-L169 VanDerWaalsContact O-CA 3.24Å; L146-L169 WeakPolarHBondContact O-CA 3.21Å; L146-L169 PolarHBondContact O-N 3.49Å; L146-L169 VanDerWaalsContact O-N 3.11Å; L149-L169 HydrophobicContact CB-CD1 4.06Å; L166-L169 HydrophobicContact CB-CB 3.95Å; L166-L169 HydrophobicContact CD1-CD2 4.34Å; L166-L169 WeakPolarHBondContact O-CB 3.17Å; L166-L169 PolarHBondContact O-N 3.43Å; L169-I172 HydrophobicContact CD2-CB 4.28Å; L169-I172 HydrophobicContact CD2-CD1 4.29Å; L169-M189 HydrophobicContact CB-CE 3.88Å; L169-M189 HydrophobicContact CD2-CE 3.66Å; L169-M189 HydrophobicContact CG-CE 4.39Å; L169-L192 HydrophobicContact CB-CD2 4.38Å; L169-L192 HydrophobicContact CD2-CD2 4.08Å; L169-L192 HydrophobicContact CG-CD2 4.08Å
170	R	98.4	Very high	97.5	Very high	57 Å²	57	48.7 Å²	48.7	22%	0.215	23%	0.23	C	C	.	.			trans	-114.3	-35.6	178.8	-59.5	-58.3	179.6	-99.2	-5.9	111.4	K147 Q167 E168 F191 E193 V194	K147-R170 PolarHBondContact O-N 3.01Å; Q167-R170 PolarHBondContact O-NH1 3.14Å; E168-R170 VanDerWaalsContact CA-NH1 3.33Å; E168-R170 PolarHBondContact O-N 2.9Å; E168-R170 PolarHBondContact O-NH1 2.94Å; E168-R170 VanDerWaalsContact O-NH1 3.1Å; E168-R170 IonicContact OE2-CZ 3.92Å; E168-R170 IonicContact OE2-NH2 3.16Å; E168-R170 PolarHBondContact OE2-NH2 3.39Å; E168-R170 VanDerWaalsContact OE2-NH2 3.16Å; R170-F191 WeakPolarHBondContact CD-O 3.34Å; R170-E193 HydrophobicContact CB-CG 4.19Å; R170-E193 WeakPolarHBondContact O-CA 3.17Å; R170-E193 PolarHBondContact O-N 3.49Å; R170-V194 PolarHBondContact O-N 3.34Å; R170-V194 VanDerWaalsContact O-N 3.09Å
171	T	98.7	Very high	97.5	Very high	23 Å²	23	52.7 Å²	52.7	14%	0.141	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.9	-175.6	64.3	0	0	0	0	111	K147 T148 L149 V194	K147-T171 PolarHBondContact O-N 3.15Å; T148-T171 WeakPolarHBondContact CA-OG1 3.33Å; T148-T171 WeakPolarHBondContact CB-OG1 3.3Å; T148-T171 WeakPolarHBondContact CG2-OG1 3.32Å; T148-T171 PolarHBondContact OG1-OG1 3.02Å; L149-T171 PolarHBondContact N-O 3.44Å; T171-V194 WeakPolarHBondContact CA-O 3.4Å; T171-V194 HydrophobicContact CG2-CB 3.84Å; T171-V194 HydrophobicContact CG2-CG2 3.85Å
172	I	98.6	Very high	97.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.2	175.8	-166.2	173.2	0	0	0	110.4	L149 L159 L163 L169 L174 L186 L192 V194 I195 D196	L149-I172 HydrophobicContact CB-CG1 4.45Å; L149-I172 HydrophobicContact CD2-CD1 4.32Å; L149-I172 HydrophobicContact CD2-CG1 4.4Å; L149-I172 WeakPolarHBondContact O-CA 3.3Å; L159-I172 HydrophobicContact CD1-CD1 4.36Å; L163-I172 HydrophobicContact CD2-CD1 3.96Å; L169-I172 HydrophobicContact CD2-CB 4.28Å; L169-I172 HydrophobicContact CD2-CD1 4.29Å; I172-L174 HydrophobicContact CD1-CD1 3.92Å; I172-L174 HydrophobicContact CD1-CD2 4.28Å; I172-L174 HydrophobicContact CD1-CG 4.2Å; I172-L174 HydrophobicContact CG1-CD1 4.17Å; I172-L174 HydrophobicContact CG1-CD2 4.21Å; I172-L174 HydrophobicContact CG1-CG 3.98Å; I172-L186 HydrophobicContact CD1-CD2 3.95Å; I172-L186 HydrophobicContact CG2-CD2 4.35Å; I172-L192 HydrophobicContact CG2-CD2 4.23Å; I172-V194 PolarHBondContact N-O 2.97Å; I172-I195 HydrophobicContact CG2-CG1 4.19Å; I172-I195 HydrophobicContact CG2-CG2 4.44Å; I172-D196 PolarHBondContact O-N 2.69Å
173	W	98.6	Very high	97.6	Very high	73 Å²	73	49.2 Å²	49.2	28%	0.277	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.7	179.7	-58.9	76.7	0	0	0	110	L149 H150 A151 G152 V194 D196 I218	L149-W173 PolarHBondContact O-N 2.83Å; H150-W173 AromaticContact CD2-CD1 3.89Å; H150-W173 AromaticContact CE1-CD1 3.18Å; H150-W173 AromaticContact CE1-CD2 3.83Å; H150-W173 AromaticContact CE1-CE2 3.68Å; H150-W173 AromaticContact CE1-CG 3.57Å; H150-W173 AromaticContact CE1-NE1 3.24Å; H150-W173 PolarHBondContact CE1-NE1 2.82Å; H150-W173 AromaticContact CG-CD1 3.84Å; H150-W173 AromaticContact ND1-CD1 3.42Å; H150-W173 AromaticContact ND1-CD2 3.99Å; H150-W173 AromaticContact ND1-CG 3.45Å; H150-W173 AromaticContact ND1-NE1 3.93Å; H150-W173 AromaticContact NE2-CD1 3.47Å; H150-W173 AromaticContact NE2-NE1 3.53Å; A151-W173 CarbonylContact C-O 3.42Å; A151-W173 WeakPolarHBondContact CA-O 3.21Å; A151-W173 PolarHBondContact N-O 3.45Å; G152-W173 PolarHBondContact N-O 2.94Å; W173-V194 HydrophobicContact CZ2-CG1 4.12Å; W173-D196 HydrophobicContact CB-CB 4.44Å; W173-D196 HydrophobicContact CD2-CB 4Å; W173-D196 HydrophobicContact CE3-CB 3.53Å; W173-D196 HydrophobicContact CG-CB 4.42Å; W173-D196 HydrophobicContact CZ3-CB 4.06Å; W173-D196 VanDerWaalsContact CZ3-OD2 3.27Å; W173-D196 WeakPolarHBondContact CZ3-OD2 3.29Å; W173-I218 HydrophobicContact CH2-CD1 4.15Å; W173-I218 HydrophobicContact CZ3-CD1 3.88Å
174	L	98.6	Very high	97.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.			trans	-128.7	19.3	-175.5	-58	169.8	0	0	0	111.4	A151 L156 L159 I172 N177 L179 L186 D196 V197 N200	A151-L174 HydrophobicContact CB-CD2 4.09Å; L156-L174 HydrophobicContact CD1-CD2 4.1Å; L159-L174 HydrophobicContact CD1-CD1 3.61Å; L159-L174 HydrophobicContact CD2-CD1 4.29Å; L159-L174 HydrophobicContact CD2-CD2 4.12Å; L159-L174 HydrophobicContact CG-CD1 4.39Å; I172-L174 HydrophobicContact CD1-CD1 3.92Å; I172-L174 HydrophobicContact CD1-CD2 4.28Å; I172-L174 HydrophobicContact CD1-CG 4.2Å; I172-L174 HydrophobicContact CG1-CD1 4.17Å; I172-L174 HydrophobicContact CG1-CD2 4.21Å; I172-L174 HydrophobicContact CG1-CG 3.98Å; L174-N177 PolarHBondContact O-ND2 3.39Å; L174-L179 HydrophobicContact CB-CD1 4.24Å; L174-L179 HydrophobicContact CD1-CD1 4.23Å; L174-L186 HydrophobicContact CD1-CD1 4.39Å; L174-D196 WeakPolarHBondContact CA-O 3.27Å; L174-D196 WeakPolarHBondContact CB-O 3.33Å; L174-D196 PolarHBondContact N-O 2.96Å; L174-V197 HydrophobicContact CB-CG1 4.32Å; L174-V197 HydrophobicContact CD1-CG1 4.32Å; L174-N200 PolarHBondContact O-ND2 3.36Å
175	S	98.2	Very high	97.6	Very high	16 Å²	16	45.5 Å²	45.5	11%	0.112	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	150.2	178.8	55	0	0	0	0	111.6	G152 S153 N177 D198	G152-S175 CarbonylContact C-O 3.24Å; G152-S175 VanDerWaalsContact C-O 3.29Å; G152-S175 WeakPolarHBondContact CA-O 3.47Å; S153-S175 PolarHBondContact N-O 2.85Å; S175-N177 PolarHBondContact O-N 3.37Å; S175-N177 PolarHBondContact O-ND2 3.38Å; S175-D198 CarbonylContact C-O 3.5Å; S175-D198 WeakPolarHBondContact CA-O 3.48Å
176	G	98	Very high	97.7	Very high	20 Å²	20	38.5 Å²	38.5	21%	0.206	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	34.9	173.4	0	0	0	0	0	114.6	S153 N154 D198 Q199	S153-G176 VanDerWaalsContact CA-O 3.29Å; S153-G176 WeakPolarHBondContact CA-O 3.22Å; N154-G176 PolarHBondContact N-O 3.2Å; G176-D198 PolarHBondContact N-O 3.2Å; G176-Q199 CarbonylContact C-O 3.21Å; G176-Q199 WeakPolarHBondContact CA-O 3.09Å; G176-Q199 PolarHBondContact N-O 3.42Å
177	N	98.7	Very high	97.7	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	21%	0.208	C	C	.	.	S	Bend	trans	-110.3	-167.2	176.2	-84.3	-71.9	0	0	0	111.3	A151 N154 L156 L174 S175 L179 Q199 N200	A151-N177 PolarHBondContact O-ND2 2.74Å; N154-N177 WeakPolarHBondContact CA-OD1 3.5Å; N154-N177 WeakPolarHBondContact CB-OD1 3.33Å; N154-N177 PolarHBondContact N-OD1 2.77Å; N154-N177 PolarHBondContact O-OD1 3.41Å; L156-N177 HydrophobicContact CB-CB 4.17Å; L156-N177 WeakPolarHBondContact CB-OD1 3.36Å; L156-N177 VanDerWaalsContact CG-OD1 3.22Å; L156-N177 WeakPolarHBondContact CG-OD1 3.34Å; L156-N177 PolarHBondContact N-OD1 3.47Å; L174-N177 PolarHBondContact O-ND2 3.39Å; S175-N177 PolarHBondContact O-N 3.37Å; S175-N177 PolarHBondContact O-ND2 3.38Å; N177-L179 HydrophobicContact CB-CG 4.38Å; N177-Q199 PolarHBondContact N-O 3.47Å; N177-N200 VanDerWaalsContact CA-OD1 3.3Å; N177-N200 WeakPolarHBondContact CA-OD1 3.26Å; N177-N200 WeakPolarHBondContact CB-OD1 3.28Å; N177-N200 PolarHBondContact N-OD1 2.98Å; N177-N200 PolarHBondContact O-OD1 3.19Å
178	R	98	Very high	97.7	Very high	142 Å²	142	41.6 Å²	41.6	54%	0.536	21%	0.214	S	C	.	.			trans	-116.5	31.1	-177.9	-57	-177.5	-172.7	-165.8	5.1	112.2	L156 R157 T180 N200	L156-R178 CarbonylContact O-C 3.27Å; L156-R178 VanDerWaalsContact O-C 3.23Å; L156-R178 WeakPolarHBondContact O-CA 3.23Å; L156-R178 PolarHBondContact O-N 3.19Å; R157-R178 HydrophobicContact CG-CB 4.2Å; R178-T180 PolarHBondContact O-N 3.3Å; R178-N200 PolarHBondContact N-OD1 3.15Å
179	L	97.9	Very high	97.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.201	C	C	.	.			trans	-68	120.9	178.8	-58.1	173.5	0	0	0	109.7	L156 L174 N177 P183 V197 N200 S201 I202	L156-L179 PolarHBondContact O-N 3.1Å; L174-L179 HydrophobicContact CB-CD1 4.24Å; L174-L179 HydrophobicContact CD1-CD1 4.23Å; N177-L179 HydrophobicContact CB-CG 4.38Å; L179-P183 HydrophobicContact CD1-CG 3.93Å; L179-P183 HydrophobicContact CD2-CG 4.34Å; L179-V197 HydrophobicContact CD1-CG1 4.44Å; L179-N200 HydrophobicContact CB-CB 4.23Å; L179-N200 VanDerWaalsContact CB-OD1 3.28Å; L179-N200 WeakPolarHBondContact CB-OD1 3.46Å; L179-N200 VanDerWaalsContact CG-OD1 3.28Å; L179-N200 WeakPolarHBondContact CG-OD1 3.28Å; L179-N200 PolarHBondContact N-OD1 3.06Å; L179-S201 CarbonylContact O-C 3.23Å; L179-S201 WeakPolarHBondContact O-CA 3.45Å; L179-S201 WeakPolarHBondContact O-CB 3.28Å; L179-S201 PolarHBondContact O-N 3.26Å; L179-I202 HydrophobicContact CB-CD1 4.41Å; L179-I202 HydrophobicContact CB-CG1 4.18Å; L179-I202 PolarHBondContact O-N 3.29Å
180	T	96.6	Very high	97.5	Very high	78 Å²	78	41.3 Å²	41.3	48%	0.479	22%	0.217	S	C	.	.	S	Bend	trans	-86.7	-24.7	177.9	54.7	0	0	0	0	113.1	R178 I202 R203	R178-T180 PolarHBondContact O-N 3.3Å; T180-I202 WeakPolarHBondContact O-CA 2.98Å; T180-R203 PolarHBondContact O-N 3.13Å
181	D	97.1	Very high	97.5	Very high	100 Å²	100	43 Å²	43	54%	0.535	23%	0.227	S	C	.	.	S	Bend	trans	-135.6	152.3	-177	-61.5	-79.7	0	0	0	108.9	P183	D181-P183 WeakPolarHBondContact O-CD 3.24Å
182	F	97.5	Very high	97.5	Very high	17 Å²	17	42 Å²	42	8%	0.075	22%	0.22	C	C	.	.			trans	-62.6	128.4	174.1	-175.6	-90.6	0	0	0	109.7	A184 L186 L187 I195 I202 F205 P206 L208	F182-A184 PolarHBondContact O-N 3.16Å; F182-L186 HydrophobicContact CE1-CB 4.02Å; F182-L186 HydrophobicContact CZ-CB 4.1Å; F182-L186 HydrophobicContact CZ-CD1 4.11Å; F182-L187 HydrophobicContact CD1-CD2 4.13Å; F182-L187 HydrophobicContact CD1-CG 4.38Å; F182-L187 HydrophobicContact CE1-CD2 3.61Å; F182-L187 HydrophobicContact CE1-CG 4.04Å; F182-I195 HydrophobicContact CE2-CG2 4.29Å; F182-I195 HydrophobicContact CZ-CD1 4.43Å; F182-I202 HydrophobicContact CB-CG2 4.35Å; F182-F205 AromaticContact CD2-CD1 3.82Å; F182-F205 HydrophobicContact CD2-CD1 3.82Å; F182-F205 AromaticContact CD2-CE1 3.8Å; F182-F205 HydrophobicContact CD2-CE1 3.8Å; F182-F205 HydrophobicContact CE2-CE1 4.47Å; F182-F205 HydrophobicContact CG-CD1 4.49Å; F182-P206 HydrophobicContact CB-CG 4.13Å; F182-P206 HydrophobicContact CD1-CG 3.53Å; F182-P206 HydrophobicContact CE1-CG 4.13Å; F182-P206 HydrophobicContact CG-CG 3.88Å; F182-L208 HydrophobicContact CE1-CD2 3.95Å; F182-L208 HydrophobicContact CE2-CD2 4.4Å; F182-L208 HydrophobicContact CZ-CD2 3.74Å
183	P	97.1	Very high	97.5	Very high	15 Å²	15	44.6 Å²	44.6	10%	0.097	23%	0.232	C	C	.	.			trans	-64.4	107.9	-177.4	-21.6	32.5	0	0	0	112	L159 L179 D181 V185 L186	L159-P183 HydrophobicContact CB-CB 4.35Å; L159-P183 HydrophobicContact CD1-CB 3.62Å; L159-P183 HydrophobicContact CD1-CG 3.76Å; L159-P183 HydrophobicContact CG-CB 4.05Å; L159-P183 HydrophobicContact CG-CG 4.1Å; L179-P183 HydrophobicContact CD1-CG 3.93Å; L179-P183 HydrophobicContact CD2-CG 4.34Å; D181-P183 WeakPolarHBondContact O-CD 3.24Å; P183-V185 HydrophobicContact CB-CG1 4.22Å; P183-V185 PolarHBondContact O-N 2.72Å; P183-L186 HydrophobicContact CB-CD1 4.14Å; P183-L186 HydrophobicContact CB-CG 4.13Å; P183-L186 HydrophobicContact CG-CD1 4.23Å; P183-L186 WeakPolarHBondContact O-CB 3.46Å; P183-L186 PolarHBondContact O-N 3.21Å
184	A	96.6	Very high	97.5	Very high	60 Å²	60	42.1 Å²	42.1	50%	0.496	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.5	-176	0	0	0	0	0	113.6	F182 L186 L187 H188	F182-A184 PolarHBondContact O-N 3.16Å; A184-L186 PolarHBondContact O-N 3.1Å; A184-L187 WeakPolarHBondContact O-CB 3.43Å; A184-L187 PolarHBondContact O-N 2.84Å; A184-L187 VanDerWaalsContact O-N 3.15Å; A184-H188 PolarHBondContact O-CE1 2.94Å; A184-H188 PolarHBondContact O-ND1 3.34Å
185	V	97.6	Very high	97.5	Very high	18 Å²	18	42.1 Å²	42.1	11%	0.109	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58	-35.5	174.2	67.1	0	0	0	0	112.2	L159 G161 L163 R164 P183 L187 H188	L159-V185 HydrophobicContact CB-CG1 4.03Å; L159-V185 HydrophobicContact CD1-CG1 4.27Å; G161-V185 WeakPolarHBondContact O-CG2 3.12Å; L163-V185 HydrophobicContact CB-CG1 4.41Å; L163-V185 HydrophobicContact CB-CG2 3.99Å; L163-V185 HydrophobicContact CD2-CG1 4.21Å; R164-V185 HydrophobicContact CB-CG2 4.02Å; P183-V185 HydrophobicContact CB-CG1 4.22Å; P183-V185 PolarHBondContact O-N 2.72Å; V185-L187 PolarHBondContact O-N 3.23Å; V185-H188 PolarHBondContact O-N 3.11Å; V185-H188 VanDerWaalsContact O-N 3.11Å
186	L	97.8	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-68.3	-23.7	-179.8	-57.1	179.3	0	0	0	112.6	L159 L163 I172 L174 F182 P183 A184 H188 M189 L192 I195	L159-L186 HydrophobicContact CD1-CD1 4.33Å; L159-L186 HydrophobicContact CD1-CD2 4.18Å; L159-L186 HydrophobicContact CD1-CG 4.29Å; L163-L186 HydrophobicContact CD2-CD2 4.06Å; I172-L186 HydrophobicContact CD1-CD2 3.95Å; I172-L186 HydrophobicContact CG2-CD2 4.35Å; L174-L186 HydrophobicContact CD1-CD1 4.39Å; F182-L186 HydrophobicContact CE1-CB 4.02Å; F182-L186 HydrophobicContact CZ-CB 4.1Å; F182-L186 HydrophobicContact CZ-CD1 4.11Å; P183-L186 HydrophobicContact CB-CD1 4.14Å; P183-L186 HydrophobicContact CB-CG 4.13Å; P183-L186 HydrophobicContact CG-CD1 4.23Å; P183-L186 WeakPolarHBondContact O-CB 3.46Å; P183-L186 PolarHBondContact O-N 3.21Å; A184-L186 PolarHBondContact O-N 3.1Å; L186-H188 PolarHBondContact O-N 2.96Å; L186-M189 HydrophobicContact CD2-SD 3.95Å; L186-M189 PolarHBondContact O-N 3.29Å; L186-L192 HydrophobicContact CB-CD1 4.15Å; L186-L192 HydrophobicContact CD2-CD1 3.97Å; L186-I195 HydrophobicContact CD1-CG2 4.25Å
187	L	96.9	Very high	97.5	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.209	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.4	-18.2	175.4	-56.2	177.6	0	0	0	112.7	F182 A184 V185 P206 L208 H210	F182-L187 HydrophobicContact CD1-CD2 4.13Å; F182-L187 HydrophobicContact CD1-CG 4.38Å; F182-L187 HydrophobicContact CE1-CD2 3.61Å; F182-L187 HydrophobicContact CE1-CG 4.04Å; A184-L187 WeakPolarHBondContact O-CB 3.43Å; A184-L187 PolarHBondContact O-N 2.84Å; A184-L187 VanDerWaalsContact O-N 3.15Å; V185-L187 PolarHBondContact O-N 3.23Å; L187-P206 HydrophobicContact CD1-CB 4.18Å; L187-P206 HydrophobicContact CD1-CG 4.1Å; L187-P206 HydrophobicContact CD2-CB 4.27Å; L187-P206 HydrophobicContact CD2-CG 3.73Å; L187-P206 HydrophobicContact CG-CG 4.43Å; L187-L208 HydrophobicContact CD2-CD2 3.5Å; L187-L208 VanDerWaalsContact CD2-CD2 3.5Å; L187-H210 PolarHBondContact O-NE2 3.36Å
188	H	96	Very high	97.4	Very high	132 Å²	132	41.3 Å²	41.3	61%	0.611	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-103.1	14.5	-178.3	-55.7	90.2	0	0	0	112.5	A184 V185 L186 P190	A184-H188 PolarHBondContact O-CE1 2.94Å; A184-H188 PolarHBondContact O-ND1 3.34Å; V185-H188 PolarHBondContact O-N 3.11Å; V185-H188 VanDerWaalsContact O-N 3.11Å; L186-H188 PolarHBondContact O-N 2.96Å; H188-P190 WeakPolarHBondContact O-CD 3.35Å
189	M	97.1	Very high	97.4	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.049	21%	0.213	C	C	.	.			trans	-118.2	80.1	-177.6	-62.4	-178.6	73.1	0	0	109.9	L163 L166 L169 L186 F191 L192	L163-M189 HydrophobicContact CG-SD 4.32Å; L163-M189 WeakPolarHBondContact O-CE 3.24Å; L166-M189 HydrophobicContact CB-CE 4.21Å; L169-M189 HydrophobicContact CB-CE 3.88Å; L169-M189 HydrophobicContact CD2-CE 3.66Å; L169-M189 HydrophobicContact CG-CE 4.39Å; L186-M189 HydrophobicContact CD2-SD 3.95Å; L186-M189 PolarHBondContact O-N 3.29Å; M189-F191 PolarHBondContact O-N 3.28Å; M189-F191 VanDerWaalsContact O-N 3.13Å; M189-L192 HydrophobicContact CB-CD1 3.63Å; M189-L192 HydrophobicContact CB-CG 3.83Å; M189-L192 PolarHBondContact O-N 3.04Å; M189-L192 HydrophobicContact SD-CD1 4.3Å
190	P	94.3	Very high	97.4	Very high	54 Å²	54	40 Å²	40	35%	0.351	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.3	-166.3	28.3	-36.8	0	0	0	114.8	H188 S213	H188-P190 WeakPolarHBondContact O-CD 3.35Å; P190-S213 WeakPolarHBondContact O-CB 3.37Å; P190-S213 PolarHBondContact O-OG 3.36Å
191	F	97.2	Very high	97.5	Very high	94 Å²	94	39 Å²	39	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1.2	180	-55.1	-65.4	0	0	0	113.9	Q167 R170 M189 E193	Q167-F191 WeakPolarHBondContact O-CD2 3.23Å; R170-F191 WeakPolarHBondContact CD-O 3.34Å; M189-F191 PolarHBondContact O-N 3.28Å; M189-F191 VanDerWaalsContact O-N 3.13Å; F191-E193 PolarHBondContact O-N 3.41Å
192	L	98.4	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.			trans	-64.5	125.2	174	-73.2	174.6	0	0	0	110.4	L169 I172 L186 M189 I195 S213 L214	L169-L192 HydrophobicContact CB-CD2 4.38Å; L169-L192 HydrophobicContact CD2-CD2 4.08Å; L169-L192 HydrophobicContact CG-CD2 4.08Å; I172-L192 HydrophobicContact CG2-CD2 4.23Å; L186-L192 HydrophobicContact CB-CD1 4.15Å; L186-L192 HydrophobicContact CD2-CD1 3.97Å; M189-L192 HydrophobicContact CB-CD1 3.63Å; M189-L192 HydrophobicContact CB-CG 3.83Å; M189-L192 PolarHBondContact O-N 3.04Å; M189-L192 HydrophobicContact SD-CD1 4.3Å; L192-I195 HydrophobicContact CB-CD1 4.37Å; L192-I195 HydrophobicContact CB-CG1 4.32Å; L192-I195 HydrophobicContact CD1-CD1 3.98Å; L192-I195 HydrophobicContact CD1-CG1 4.15Å; L192-S213 CarbonylContact O-C 3.24Å; L192-L214 VanDerWaalsContact O-CA 3.24Å; L192-L214 WeakPolarHBondContact O-CA 3.45Å; L192-L214 PolarHBondContact O-N 3.14Å
193	E	98.4	Very high	97.4	Very high	55 Å²	55	40.8 Å²	40.8	26%	0.257	21%	0.21	S	C	.	.			trans	-100.1	-34.9	177.1	-55.9	-170.5	-178.7	0	0	111.9	R170 F191 S213 K215 L216	R170-E193 HydrophobicContact CB-CG 4.19Å; R170-E193 WeakPolarHBondContact O-CA 3.17Å; R170-E193 PolarHBondContact O-N 3.49Å; F191-E193 PolarHBondContact O-N 3.41Å; E193-S213 WeakPolarHBondContact CA-O 3.44Å; E193-K215 HydrophobicContact CB-CD 4.3Å; E193-K215 HydrophobicContact CB-CG 4.49Å; E193-K215 VanDerWaalsContact CD-NZ 3.25Å; E193-K215 WeakPolarHBondContact O-CA 3.21Å; E193-K215 PolarHBondContact O-N 3.25Å; E193-K215 IonicContact OE1-NZ 3.49Å; E193-K215 PolarHBondContact OE1-NZ 3.08Å; E193-K215 WeakPolarHBondContact OE2-CE 3.28Å; E193-K215 IonicContact OE2-NZ 2.71Å; E193-K215 PolarHBondContact OE2-NZ 3.06Å; E193-L216 PolarHBondContact O-N 3.03Å
194	V	98.6	Very high	97.3	Very high	22 Å²	22	46 Å²	46	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126	-178.4	-175.6	0	0	0	0	110	R170 T171 I172 W173 L216	R170-V194 PolarHBondContact O-N 3.34Å; R170-V194 VanDerWaalsContact O-N 3.09Å; T171-V194 WeakPolarHBondContact CA-O 3.4Å; T171-V194 HydrophobicContact CG2-CB 3.84Å; T171-V194 HydrophobicContact CG2-CG2 3.85Å; I172-V194 PolarHBondContact N-O 2.97Å; W173-V194 HydrophobicContact CZ2-CG1 4.12Å; V194-L216 WeakPolarHBondContact CA-O 3.13Å; V194-L216 HydrophobicContact CG1-CB 4.28Å; V194-L216 HydrophobicContact CG1-CD2 4.06Å; V194-L216 HydrophobicContact CG1-CG 4.29Å; V194-L216 HydrophobicContact CG2-CB 4.25Å
195	I	98.6	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.1	172.4	-59.8	174.9	0	0	0	107.7	I172 F182 L186 L192 V197 L211 L214 L216 V217 I218	I172-I195 HydrophobicContact CG2-CG1 4.19Å; I172-I195 HydrophobicContact CG2-CG2 4.44Å; F182-I195 HydrophobicContact CE2-CG2 4.29Å; F182-I195 HydrophobicContact CZ-CD1 4.43Å; L186-I195 HydrophobicContact CD1-CG2 4.25Å; L192-I195 HydrophobicContact CB-CD1 4.37Å; L192-I195 HydrophobicContact CB-CG1 4.32Å; L192-I195 HydrophobicContact CD1-CD1 3.98Å; L192-I195 HydrophobicContact CD1-CG1 4.15Å; I195-V197 HydrophobicContact CG2-CG1 4.06Å; I195-L211 HydrophobicContact CD1-CD1 4.05Å; I195-L214 HydrophobicContact CB-CD1 4.46Å; I195-L214 HydrophobicContact CD1-CD1 3.87Å; I195-L214 HydrophobicContact CG1-CD1 3.89Å; I195-L216 PolarHBondContact N-O 3.48Å; I195-V217 CarbonylContact O-C 3.58Å; I195-V217 VanDerWaalsContact O-CA 3.31Å; I195-V217 WeakPolarHBondContact O-CA 3.32Å; I195-I218 PolarHBondContact O-N 2.74Å
196	D	98.6	Very high	97.3	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.048	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.5	168.9	-175	-3.6	0	0	0	110	I172 W173 L174 D198 I218	I172-D196 PolarHBondContact O-N 2.69Å; W173-D196 HydrophobicContact CB-CB 4.44Å; W173-D196 HydrophobicContact CD2-CB 4Å; W173-D196 HydrophobicContact CE3-CB 3.53Å; W173-D196 HydrophobicContact CG-CB 4.42Å; W173-D196 HydrophobicContact CZ3-CB 4.06Å; W173-D196 VanDerWaalsContact CZ3-OD2 3.27Å; W173-D196 WeakPolarHBondContact CZ3-OD2 3.29Å; L174-D196 WeakPolarHBondContact CA-O 3.27Å; L174-D196 WeakPolarHBondContact CB-O 3.33Å; L174-D196 PolarHBondContact N-O 2.96Å; D196-D198 WeakPolarHBondContact OD1-CB 3.27Å; D196-D198 PolarHBondContact OD1-N 3.47Å; D196-I218 HydrophobicContact CB-CB 4.09Å; D196-I218 HydrophobicContact CB-CD1 4.18Å; D196-I218 HydrophobicContact CB-CG1 4.41Å
197	V	98.2	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.			trans	-131.3	25.3	173.7	-65.3	0	0	0	0	111.1	L174 L179 I195 N200 I202 F205 I218 N222	L174-V197 HydrophobicContact CB-CG1 4.32Å; L174-V197 HydrophobicContact CD1-CG1 4.32Å; L179-V197 HydrophobicContact CD1-CG1 4.44Å; I195-V197 HydrophobicContact CG2-CG1 4.06Å; V197-N200 PolarHBondContact O-ND2 2.74Å; V197-N200 VanDerWaalsContact O-ND2 3.16Å; V197-I202 HydrophobicContact CB-CD1 3.88Å; V197-I202 HydrophobicContact CG1-CD1 4.42Å; V197-I202 HydrophobicContact CG2-CD1 3.91Å; V197-F205 HydrophobicContact CG2-CE1 3.81Å; V197-F205 HydrophobicContact CG2-CZ 4.12Å; V197-I218 WeakPolarHBondContact CG2-O 3.35Å; V197-I218 PolarHBondContact N-O 3.14Å; V197-N222 PolarHBondContact O-ND2 2.84Å
198	D	97.6	Very high	97.2	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.107	23%	0.225	C	C	.	.			trans	-52.4	156.1	174	-177.5	45.1	0	0	0	111.8	S175 G176 D196 N200 I218 D220 H221	S175-D198 CarbonylContact C-O 3.5Å; S175-D198 WeakPolarHBondContact CA-O 3.48Å; G176-D198 PolarHBondContact N-O 3.2Å; D196-D198 WeakPolarHBondContact OD1-CB 3.27Å; D196-D198 PolarHBondContact OD1-N 3.47Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 2.89Å; D198-N200 PolarHBondContact O-ND2 3.18Å; D198-I218 HydrophobicContact CB-CG2 3.96Å; D198-D220 WeakPolarHBondContact CA-O 3.29Å; D198-D220 WeakPolarHBondContact OD1-CA 3.1Å; D198-D220 VanDerWaalsContact OD1-CB 3.29Å; D198-D220 WeakPolarHBondContact OD1-CB 3.22Å; D198-H221 IonicContact OD1-CG 3.58Å; D198-H221 IonicContact OD1-ND1 2.9Å; D198-H221 PolarHBondContact OD1-ND1 3.42Å; D198-H221 IonicContact OD2-ND1 3.76Å
199	Q	97.5	Very high	97.1	Very high	106 Å²	106	41.5 Å²	41.5	50%	0.495	21%	0.213	S	C	.	.	S	Bend	trans	50.3	50.9	174	-69.5	171.5	50.8	0	0	113.3	G176 N177 D220 H221	G176-Q199 CarbonylContact C-O 3.21Å; G176-Q199 WeakPolarHBondContact CA-O 3.09Å; G176-Q199 PolarHBondContact N-O 3.42Å; N177-Q199 PolarHBondContact N-O 3.47Å; Q199-D220 PolarHBondContact N-O 3.01Å; Q199-H221 WeakPolarHBondContact CA-O 3.32Å; Q199-H221 HydrophobicContact CB-CB 4.28Å; Q199-H221 HydrophobicContact CG-CB 3.54Å
200	N	98.3	Very high	97.1	Very high	9 Å²	9	46 Å²	46	5%	0.048	23%	0.233	C	C	.	.	S	Bend	trans	-122.5	-169.8	173.7	-85.7	-88.4	0	0	0	110	L174 N177 R178 L179 V197 D198 I202 N222 P223	L174-N200 PolarHBondContact O-ND2 3.36Å; N177-N200 VanDerWaalsContact CA-OD1 3.3Å; N177-N200 WeakPolarHBondContact CA-OD1 3.26Å; N177-N200 WeakPolarHBondContact CB-OD1 3.28Å; N177-N200 PolarHBondContact N-OD1 2.98Å; N177-N200 PolarHBondContact O-OD1 3.19Å; R178-N200 PolarHBondContact N-OD1 3.15Å; L179-N200 HydrophobicContact CB-CB 4.23Å; L179-N200 VanDerWaalsContact CB-OD1 3.28Å; L179-N200 WeakPolarHBondContact CB-OD1 3.46Å; L179-N200 VanDerWaalsContact CG-OD1 3.28Å; L179-N200 WeakPolarHBondContact CG-OD1 3.28Å; L179-N200 PolarHBondContact N-OD1 3.06Å; V197-N200 PolarHBondContact O-ND2 2.74Å; V197-N200 VanDerWaalsContact O-ND2 3.16Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 2.89Å; D198-N200 PolarHBondContact O-ND2 3.18Å; N200-I202 HydrophobicContact CB-CD1 4.37Å; N200-I202 HydrophobicContact CB-CG1 4.17Å; N200-N222 VanDerWaalsContact CA-OD1 3.29Å; N200-N222 WeakPolarHBondContact CA-OD1 3.48Å; N200-N222 WeakPolarHBondContact CB-OD1 3.43Å; N200-N222 PolarHBondContact N-OD1 3.29Å; N200-N222 PolarHBondContact O-OD1 3.22Å; N200-P223 WeakPolarHBondContact O-CD 3.46Å
201	S	97.6	Very high	97.2	Very high	57 Å²	57	43.5 Å²	43.5	40%	0.399	22%	0.217	S	C	.	.			trans	-109.1	25	178.4	-65.6	0	0	0	0	113	L179 R203 N222	L179-S201 CarbonylContact O-C 3.23Å; L179-S201 WeakPolarHBondContact O-CA 3.45Å; L179-S201 WeakPolarHBondContact O-CB 3.28Å; L179-S201 PolarHBondContact O-N 3.26Å; S201-R203 PolarHBondContact O-N 3.09Å; S201-N222 PolarHBondContact N-OD1 3.27Å
202	I	97.5	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.			trans	-69.6	120.7	-175	-58.3	171.9	0	0	0	110.2	L179 T180 F182 V197 N200 Y204 F205 N222 P223 C224	L179-I202 HydrophobicContact CB-CD1 4.41Å; L179-I202 HydrophobicContact CB-CG1 4.18Å; L179-I202 PolarHBondContact O-N 3.29Å; T180-I202 WeakPolarHBondContact O-CA 2.98Å; F182-I202 HydrophobicContact CB-CG2 4.35Å; V197-I202 HydrophobicContact CB-CD1 3.88Å; V197-I202 HydrophobicContact CG1-CD1 4.42Å; V197-I202 HydrophobicContact CG2-CD1 3.91Å; N200-I202 HydrophobicContact CB-CD1 4.37Å; N200-I202 HydrophobicContact CB-CG1 4.17Å; I202-Y204 WeakPolarHBondContact CG2-O 3.27Å; I202-F205 HydrophobicContact CB-CE2 4.24Å; I202-F205 HydrophobicContact CB-CZ 3.94Å; I202-F205 HydrophobicContact CD1-CE1 4.11Å; I202-F205 HydrophobicContact CD1-CZ 4Å; I202-F205 HydrophobicContact CG2-CD1 4.42Å; I202-F205 HydrophobicContact CG2-CD2 4.23Å; I202-F205 HydrophobicContact CG2-CE1 4.02Å; I202-F205 HydrophobicContact CG2-CE2 3.82Å; I202-F205 HydrophobicContact CG2-CZ 3.67Å; I202-N222 HydrophobicContact CB-CB 4.43Å; I202-N222 VanDerWaalsContact CB-OD1 3.27Å; I202-N222 WeakPolarHBondContact CB-OD1 3.4Å; I202-N222 WeakPolarHBondContact CG1-OD1 3.37Å; I202-N222 PolarHBondContact N-OD1 2.94Å; I202-P223 CarbonylContact O-C 3.12Å; I202-C224 WeakPolarHBondContact O-CA 3.5Å; I202-C224 WeakPolarHBondContact O-CB 3.37Å; I202-C224 PolarHBondContact O-N 3.44Å
203	R	95.6	Very high	97	Very high	156 Å²	156	45.6 Å²	45.6	59%	0.589	24%	0.243	S	C	*	.			trans	-90.3	-30.6	-179.6	-65.6	-176.6	179.2	-165.4	-0.4	114	T180 S201 P223 C224 R225	T180-R203 PolarHBondContact O-N 3.13Å; S201-R203 PolarHBondContact O-N 3.09Å; R203-P223 HydrophobicContact CG-CG 4.49Å; R203-C224 CarbonylContact O-C 3.53Å; R203-C224 VanDerWaalsContact O-CA 3.27Å; R203-C224 WeakPolarHBondContact O-CA 3.34Å; R203-R225 PolarHBondContact O-N 2.98Å
204	Y	95.8	Very high	96.9	Very high	124 Å²	124	43.3 Å²	43.3	49%	0.486	23%	0.233	S	C	.	.			trans	-138.6	135.9	-176.9	-67	-77.3	0	0	0	111.2	I202 R225 N226	I202-Y204 WeakPolarHBondContact CG2-O 3.27Å; Y204-R225 HydrophobicContact CD1-CB 4.32Å; Y204-R225 HydrophobicContact CE1-CB 3.89Å; Y204-R225 HydrophobicContact CE1-CG 4.39Å; Y204-R225 VanDerWaalsContact OH-CD 3.28Å; Y204-R225 WeakPolarHBondContact OH-CD 3.46Å; Y204-R225 PolarHBondContact OH-NH1 2.82Å; Y204-R225 VanDerWaalsContact OH-NH1 3.15Å; Y204-N226 WeakPolarHBondContact CA-OD1 3.45Å
205	F	96.7	Very high	96.9	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.044	25%	0.251	C	S	.	.			trans	-104.3	130.1	175.4	-78.1	-82.5	0	0	0	111.3	F182 V197 I202 Y219 N222 C224 N226 P228	F182-F205 AromaticContact CD2-CD1 3.82Å; F182-F205 HydrophobicContact CD2-CD1 3.82Å; F182-F205 AromaticContact CD2-CE1 3.8Å; F182-F205 HydrophobicContact CD2-CE1 3.8Å; F182-F205 HydrophobicContact CE2-CE1 4.47Å; F182-F205 HydrophobicContact CG-CD1 4.49Å; V197-F205 HydrophobicContact CG2-CE1 3.81Å; V197-F205 HydrophobicContact CG2-CZ 4.12Å; I202-F205 HydrophobicContact CB-CE2 4.24Å; I202-F205 HydrophobicContact CB-CZ 3.94Å; I202-F205 HydrophobicContact CD1-CE1 4.11Å; I202-F205 HydrophobicContact CD1-CZ 4Å; I202-F205 HydrophobicContact CG2-CD1 4.42Å; I202-F205 HydrophobicContact CG2-CD2 4.23Å; I202-F205 HydrophobicContact CG2-CE1 4.02Å; I202-F205 HydrophobicContact CG2-CE2 3.82Å; I202-F205 HydrophobicContact CG2-CZ 3.67Å; F205-Y219 HydrophobicContact CD2-CD2 4.3Å; F205-Y219 AromaticContact CE2-CD2 3.87Å; F205-Y219 HydrophobicContact CE2-CD2 3.87Å; F205-Y219 HydrophobicContact CE2-CG 4.35Å; F205-Y219 VanDerWaalsContact CZ-CB 3.5Å; F205-Y219 HydrophobicContact CZ-CD2 4.17Å; F205-Y219 HydrophobicContact CZ-CG 4.2Å; F205-N222 HydrophobicContact CE2-CB 4.46Å; F205-C224 HydrophobicContact CD2-CB 3.65Å; F205-C224 HydrophobicContact CE2-CB 3.47Å; F205-C224 VanDerWaalsContact CE2-CB 3.47Å; F205-N226 PolarHBondContact N-OD1 3Å; F205-N226 PolarHBondContact O-ND2 3.06Å; F205-P228 HydrophobicContact CB-CB 3.9Å; F205-P228 HydrophobicContact CD1-CB 4.22Å; F205-P228 HydrophobicContact CD1-CG 4.44Å; F205-P228 HydrophobicContact CG-CB 4.21Å; F205-P228 HydrophobicContact CG-CG 4.42Å
206	P	96.4	Very high	96.9	Very high	43 Å²	43	49.6 Å²	49.6	28%	0.279	26%	0.26	S	S	.	.			trans	-72	174.6	171.7	32	-35.8	0	0	0	111.4	F182 L187 L208	F182-P206 HydrophobicContact CB-CG 4.13Å; F182-P206 HydrophobicContact CD1-CG 3.53Å; F182-P206 HydrophobicContact CE1-CG 4.13Å; F182-P206 HydrophobicContact CG-CG 3.88Å; L187-P206 HydrophobicContact CD1-CB 4.18Å; L187-P206 HydrophobicContact CD1-CG 4.1Å; L187-P206 HydrophobicContact CD2-CB 4.27Å; L187-P206 HydrophobicContact CD2-CG 3.73Å; L187-P206 HydrophobicContact CG-CG 4.43Å; P206-L208 HydrophobicContact CG-CD2 4.28Å
207	S	95.9	Very high	96.8	Very high	58 Å²	58	49.2 Å²	49.2	41%	0.406	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-71.9	129.3	166.8	-177	0	0	0	0	109.9	A209 H210	S207-A209 PolarHBondContact OG-N 2.98Å; S207-H210 PolarHBondContact O-CE1 3.23Å; S207-H210 PolarHBondContact O-ND1 2.99Å
208	L	96.6	Very high	96.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.264	C	S	.	.			trans	-107.2	3.7	173.3	-53.9	-177.8	0	0	0	111.8	F182 L187 P206 H210 L211 L214 V217 P228 K229 V230	F182-L208 HydrophobicContact CE1-CD2 3.95Å; F182-L208 HydrophobicContact CE2-CD2 4.4Å; F182-L208 HydrophobicContact CZ-CD2 3.74Å; L187-L208 HydrophobicContact CD2-CD2 3.5Å; L187-L208 VanDerWaalsContact CD2-CD2 3.5Å; P206-L208 HydrophobicContact CG-CD2 4.28Å; L208-H210 PolarHBondContact O-N 2.86Å; L208-H210 VanDerWaalsContact O-N 3.12Å; L208-L211 HydrophobicContact CB-CD1 4.26Å; L208-L211 HydrophobicContact CD2-CD1 4.14Å; L208-L211 WeakPolarHBondContact O-CB 3.24Å; L208-L211 PolarHBondContact O-N 2.93Å; L208-L214 HydrophobicContact CB-CD2 3.97Å; L208-L214 HydrophobicContact CD1-CD2 4.12Å; L208-V217 HydrophobicContact CD1-CB 4.43Å; L208-V217 HydrophobicContact CD1-CG2 3.95Å; L208-P228 HydrophobicContact CD1-CB 3.85Å; L208-P228 HydrophobicContact CG-CB 4.2Å; L208-K229 CarbonylContact C-O 3.6Å; L208-K229 WeakPolarHBondContact CA-O 3.23Å; L208-K229 PolarHBondContact N-O 3.05Å; L208-V230 HydrophobicContact CB-CG1 4.28Å
209	A	95.1	Very high	96.7	Very high	43 Å²	43	49.4 Å²	49.4	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20	-175.1	0	0	0	0	0	114.4	S207 K229	S207-A209 PolarHBondContact OG-N 2.98Å; A209-K229 PolarHBondContact N-O 3.04Å; A209-K229 VanDerWaalsContact N-O 3.14Å
210	H	95.6	Very high	96.6	Very high	105 Å²	105	46.6 Å²	46.6	49%	0.486	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.1	175.9	65.9	-72.7	0	0	0	113.5	L187 S207 L208 S212	L187-H210 PolarHBondContact O-NE2 3.36Å; S207-H210 PolarHBondContact O-CE1 3.23Å; S207-H210 PolarHBondContact O-ND1 2.99Å; L208-H210 PolarHBondContact O-N 2.86Å; L208-H210 VanDerWaalsContact O-N 3.12Å; H210-S212 PolarHBondContact O-N 3.36Å
211	L	96.6	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.271	C	S	.	.			trans	-78.2	85.8	175.2	-59.9	179.9	0	0	0	109.1	I195 L208 S213 L214	I195-L211 HydrophobicContact CD1-CD1 4.05Å; L208-L211 HydrophobicContact CB-CD1 4.26Å; L208-L211 HydrophobicContact CD2-CD1 4.14Å; L208-L211 WeakPolarHBondContact O-CB 3.24Å; L208-L211 PolarHBondContact O-N 2.93Å; L211-S213 PolarHBondContact O-N 2.87Å; L211-L214 HydrophobicContact CB-CB 3.91Å; L211-L214 HydrophobicContact CB-CD2 4.47Å; L211-L214 HydrophobicContact CD1-CD2 4.38Å; L211-L214 VanDerWaalsContact O-CB 3.28Å; L211-L214 WeakPolarHBondContact O-CB 3.42Å; L211-L214 PolarHBondContact O-N 3.05Å; L211-L214 VanDerWaalsContact O-N 3.1Å
212	S	94.1	Very high	96.3	Very high	104 Å²	104	49.4 Å²	49.4	73%	0.727	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-172	56	0	0	0	0	114.4	H210	H210-S212 PolarHBondContact O-N 3.36Å
213	S	97	Very high	96.2	Very high	34 Å²	34	52.7 Å²	52.7	24%	0.238	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.2	179.5	-49	0	0	0	0	113.3	P190 L192 E193 L211 K215	P190-S213 WeakPolarHBondContact O-CB 3.37Å; P190-S213 PolarHBondContact O-OG 3.36Å; L192-S213 CarbonylContact O-C 3.24Å; E193-S213 WeakPolarHBondContact CA-O 3.44Å; L211-S213 PolarHBondContact O-N 2.87Å; S213-K215 PolarHBondContact O-N 3.43Å
214	L	98.1	Very high	96.1	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	25%	0.249	C	C	.	.			trans	-65.2	126.9	-173.9	-169.9	68.4	0	0	0	109.9	L192 I195 L208 L211 V234	L192-L214 VanDerWaalsContact O-CA 3.24Å; L192-L214 WeakPolarHBondContact O-CA 3.45Å; L192-L214 PolarHBondContact O-N 3.14Å; I195-L214 HydrophobicContact CB-CD1 4.46Å; I195-L214 HydrophobicContact CD1-CD1 3.87Å; I195-L214 HydrophobicContact CG1-CD1 3.89Å; L208-L214 HydrophobicContact CB-CD2 3.97Å; L208-L214 HydrophobicContact CD1-CD2 4.12Å; L211-L214 HydrophobicContact CB-CB 3.91Å; L211-L214 HydrophobicContact CB-CD2 4.47Å; L211-L214 HydrophobicContact CD1-CD2 4.38Å; L211-L214 VanDerWaalsContact O-CB 3.28Å; L211-L214 WeakPolarHBondContact O-CB 3.42Å; L211-L214 PolarHBondContact O-N 3.05Å; L211-L214 VanDerWaalsContact O-N 3.1Å; L214-V234 HydrophobicContact CD2-CG1 3.97Å; L214-V234 HydrophobicContact CG-CG1 3.92Å; L214-V234 VanDerWaalsContact O-CG2 3.23Å; L214-V234 WeakPolarHBondContact O-CG2 3.28Å
215	K	97.7	Very high	96	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	26%	0.258	S	S	.	.			trans	-112.2	-33.8	178.6	-64.1	173.9	-170.6	163.7	0	111.3	E193 S213 R235	E193-K215 HydrophobicContact CB-CD 4.3Å; E193-K215 HydrophobicContact CB-CG 4.49Å; E193-K215 VanDerWaalsContact CD-NZ 3.25Å; E193-K215 WeakPolarHBondContact O-CA 3.21Å; E193-K215 PolarHBondContact O-N 3.25Å; E193-K215 IonicContact OE1-NZ 3.49Å; E193-K215 PolarHBondContact OE1-NZ 3.08Å; E193-K215 WeakPolarHBondContact OE2-CE 3.28Å; E193-K215 IonicContact OE2-NZ 2.71Å; E193-K215 PolarHBondContact OE2-NZ 3.06Å; S213-K215 PolarHBondContact O-N 3.43Å; K215-R235 PolarHBondContact O-N 2.89Å
216	L	97.6	Very high	95.9	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	130.5	-174.4	177.9	60.4	0	0	0	111.2	E193 V194 I195 I218 R235 V237	E193-L216 PolarHBondContact O-N 3.03Å; V194-L216 WeakPolarHBondContact CA-O 3.13Å; V194-L216 HydrophobicContact CG1-CB 4.28Å; V194-L216 HydrophobicContact CG1-CD2 4.06Å; V194-L216 HydrophobicContact CG1-CG 4.29Å; V194-L216 HydrophobicContact CG2-CB 4.25Å; I195-L216 PolarHBondContact N-O 3.48Å; L216-I218 HydrophobicContact CD1-CG1 4.04Å; L216-I218 HydrophobicContact CD2-CD1 4.1Å; L216-I218 HydrophobicContact CD2-CG1 4.15Å; L216-I218 HydrophobicContact CG-CD1 4.44Å; L216-I218 HydrophobicContact CG-CG1 3.94Å; L216-R235 WeakPolarHBondContact CA-O 3.38Å; L216-R235 HydrophobicContact CD1-CB 3.95Å; L216-R235 HydrophobicContact CD1-CG 3.92Å; L216-V237 HydrophobicContact CD1-CG2 3.85Å
217	V	97.6	Very high	95.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.4	164.8	63.1	0	0	0	0	110.1	I195 L208 Y219 P228 V230 R235 R236 V237	I195-V217 CarbonylContact O-C 3.58Å; I195-V217 VanDerWaalsContact O-CA 3.31Å; I195-V217 WeakPolarHBondContact O-CA 3.32Å; L208-V217 HydrophobicContact CD1-CB 4.43Å; L208-V217 HydrophobicContact CD1-CG2 3.95Å; V217-Y219 HydrophobicContact CG1-CD1 4.28Å; V217-Y219 HydrophobicContact CG1-CE1 4.47Å; V217-Y219 HydrophobicContact CG2-CD1 4.23Å; V217-P228 HydrophobicContact CG1-CG 4.15Å; V217-P228 HydrophobicContact CG2-CG 4.47Å; V217-V230 HydrophobicContact CG1-CG1 3.85Å; V217-R235 PolarHBondContact N-O 3.32Å; V217-R236 HydrophobicContact CG1-CB 4.47Å; V217-R236 HydrophobicContact CG1-CG 3.8Å; V217-R236 CarbonylContact O-C 3.54Å; V217-R236 WeakPolarHBondContact O-CA 3.47Å; V217-V237 PolarHBondContact O-N 2.85Å
218	I	97.6	Very high	95.6	Very high	24 Å²	24	46.4 Å²	46.4	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.3	174.5	-46.6	178	0	0	0	106.8	W173 I195 D196 V197 D198 L216 V237	W173-I218 HydrophobicContact CH2-CD1 4.15Å; W173-I218 HydrophobicContact CZ3-CD1 3.88Å; I195-I218 PolarHBondContact O-N 2.74Å; D196-I218 HydrophobicContact CB-CB 4.09Å; D196-I218 HydrophobicContact CB-CD1 4.18Å; D196-I218 HydrophobicContact CB-CG1 4.41Å; V197-I218 WeakPolarHBondContact CG2-O 3.35Å; V197-I218 PolarHBondContact N-O 3.14Å; D198-I218 HydrophobicContact CB-CG2 3.96Å; L216-I218 HydrophobicContact CD1-CG1 4.04Å; L216-I218 HydrophobicContact CD2-CD1 4.1Å; L216-I218 HydrophobicContact CD2-CG1 4.15Å; L216-I218 HydrophobicContact CG-CD1 4.44Å; L216-I218 HydrophobicContact CG-CG1 3.94Å; I218-V237 HydrophobicContact CB-CB 4.32Å; I218-V237 HydrophobicContact CG1-CB 4.16Å; I218-V237 HydrophobicContact CG1-CG2 4.4Å; I218-V237 HydrophobicContact CG2-CB 4.02Å; I218-V237 HydrophobicContact CG2-CG1 4.03Å
219	Y	96.4	Very high	95.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.			trans	-146.2	17.5	-172.9	66.6	-83.3	0	0	0	112.8	F205 V217 N222 A227 P228 R236 V237 R239	F205-Y219 HydrophobicContact CD2-CD2 4.3Å; F205-Y219 AromaticContact CE2-CD2 3.87Å; F205-Y219 HydrophobicContact CE2-CD2 3.87Å; F205-Y219 HydrophobicContact CE2-CG 4.35Å; F205-Y219 VanDerWaalsContact CZ-CB 3.5Å; F205-Y219 HydrophobicContact CZ-CD2 4.17Å; F205-Y219 HydrophobicContact CZ-CG 4.2Å; V217-Y219 HydrophobicContact CG1-CD1 4.28Å; V217-Y219 HydrophobicContact CG1-CE1 4.47Å; V217-Y219 HydrophobicContact CG2-CD1 4.23Å; Y219-N222 PolarHBondContact O-ND2 3.12Å; Y219-A227 HydrophobicContact CE2-CB 4.4Å; Y219-P228 HydrophobicContact CD1-CG 3.68Å; Y219-P228 HydrophobicContact CD2-CG 4.32Å; Y219-P228 HydrophobicContact CE1-CG 3.61Å; Y219-P228 VanDerWaalsContact CE2-CD 3.4Å; Y219-P228 HydrophobicContact CE2-CG 4.25Å; Y219-P228 HydrophobicContact CG-CG 4.05Å; Y219-R236 HydrophobicContact CE1-CB 3.98Å; Y219-R236 HydrophobicContact CE1-CG 4.24Å; Y219-V237 WeakPolarHBondContact CD1-O 3.17Å; Y219-V237 PolarHBondContact N-O 3.34Å; Y219-R239 WeakPolarHBondContact CE2-O 3.47Å; Y219-R239 PolarHBondContact OH-O 3.48Å
220	D	93.9	Very high	95.5	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	27%	0.268	S	S	.	.			trans	-63.5	174.3	-179.6	-150.7	0.6	0	0	0	111.6	D198 Q199 N222	D198-D220 WeakPolarHBondContact CA-O 3.29Å; D198-D220 WeakPolarHBondContact OD1-CA 3.1Å; D198-D220 VanDerWaalsContact OD1-CB 3.29Å; D198-D220 WeakPolarHBondContact OD1-CB 3.22Å; Q199-D220 PolarHBondContact N-O 3.01Å; D220-N222 PolarHBondContact O-N 3.15Å; D220-N222 PolarHBondContact O-ND2 3.13Å
221	H	95.3	Very high	95.4	Very high	119 Å²	119	49.9 Å²	49.9	55%	0.551	26%	0.26	S	S	*	.	S	Bend	trans	49.3	33.3	176.6	-52.8	94.5	0	0	0	114.4	D198 Q199	D198-H221 IonicContact OD1-CG 3.58Å; D198-H221 IonicContact OD1-ND1 2.9Å; D198-H221 PolarHBondContact OD1-ND1 3.42Å; D198-H221 IonicContact OD2-ND1 3.76Å; Q199-H221 WeakPolarHBondContact CA-O 3.32Å; Q199-H221 HydrophobicContact CB-CB 4.28Å; Q199-H221 HydrophobicContact CG-CB 3.54Å
222	N	96	Very high	95.1	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.027	31%	0.305	C	S	.	.	S	Bend	trans	-109.6	147.3	168.8	-81.6	-90.8	0	0	0	109.1	V197 N200 S201 I202 F205 Y219 D220 C224 R239	V197-N222 PolarHBondContact O-ND2 2.84Å; N200-N222 VanDerWaalsContact CA-OD1 3.29Å; N200-N222 WeakPolarHBondContact CA-OD1 3.48Å; N200-N222 WeakPolarHBondContact CB-OD1 3.43Å; N200-N222 PolarHBondContact N-OD1 3.29Å; N200-N222 PolarHBondContact O-OD1 3.22Å; S201-N222 PolarHBondContact N-OD1 3.27Å; I202-N222 HydrophobicContact CB-CB 4.43Å; I202-N222 VanDerWaalsContact CB-OD1 3.27Å; I202-N222 WeakPolarHBondContact CB-OD1 3.4Å; I202-N222 WeakPolarHBondContact CG1-OD1 3.37Å; I202-N222 PolarHBondContact N-OD1 2.94Å; F205-N222 HydrophobicContact CE2-CB 4.46Å; Y219-N222 PolarHBondContact O-ND2 3.12Å; D220-N222 PolarHBondContact O-N 3.15Å; D220-N222 PolarHBondContact O-ND2 3.13Å; N222-C224 HydrophobicContact CB-CB 4.33Å; N222-C224 PolarHBondContact O-N 3.05Å; N222-R239 PolarHBondContact O-NH2 3.35Å
223	P	95.4	Very high	94.9	Very high	70 Å²	70	59 Å²	59	46%	0.455	31%	0.308	S	S	.	.			trans	-75.1	38.5	172.7	34.7	-37	0	0	0	112.1	N200 I202 R203	N200-P223 WeakPolarHBondContact O-CD 3.46Å; I202-P223 CarbonylContact O-C 3.12Å; R203-P223 HydrophobicContact CG-CG 4.49Å
224	C	93.5	Very high	94.8	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.041	30%	0.302	C	S	.	.			trans	-73.1	142.7	-175	60.1	0	0	0	0	112.2	I202 R203 F205 N222 R239 W240	I202-C224 WeakPolarHBondContact O-CA 3.5Å; I202-C224 WeakPolarHBondContact O-CB 3.37Å; I202-C224 PolarHBondContact O-N 3.44Å; R203-C224 CarbonylContact O-C 3.53Å; R203-C224 VanDerWaalsContact O-CA 3.27Å; R203-C224 WeakPolarHBondContact O-CA 3.34Å; F205-C224 HydrophobicContact CD2-CB 3.65Å; F205-C224 HydrophobicContact CE2-CB 3.47Å; F205-C224 VanDerWaalsContact CE2-CB 3.47Å; N222-C224 HydrophobicContact CB-CB 4.33Å; N222-C224 PolarHBondContact O-N 3.05Å; C224-R239 PolarHBondContact O-NH2 3.14Å; C224-W240 WeakPolarHBondContact O-CH2 3.49Å
225	R	93.6	Very high	94.7	Very high	180 Å²	180	66.2 Å²	66.2	68%	0.679	33%	0.332	S	S	*	.	S	Bend	trans	-94.6	-8.2	178.2	-66.9	178.4	173.5	-160.4	-3.3	113.3	R203 Y204	R203-R225 PolarHBondContact O-N 2.98Å; Y204-R225 HydrophobicContact CD1-CB 4.32Å; Y204-R225 HydrophobicContact CE1-CB 3.89Å; Y204-R225 HydrophobicContact CE1-CG 4.39Å; Y204-R225 VanDerWaalsContact OH-CD 3.28Å; Y204-R225 WeakPolarHBondContact OH-CD 3.46Å; Y204-R225 PolarHBondContact OH-NH1 2.82Å; Y204-R225 VanDerWaalsContact OH-NH1 3.15Å
226	N	93.9	Very high	94.5	Very high	50 Å²	50	62.9 Å²	62.9	27%	0.267	32%	0.316	S	S	.	.	S	Bend	trans	-147.7	153.6	178.9	72.7	-62.9	0	0	0	110.8	Y204 F205	Y204-N226 WeakPolarHBondContact CA-OD1 3.45Å; F205-N226 PolarHBondContact N-OD1 3Å; F205-N226 PolarHBondContact O-ND2 3.06Å
227	A	91.7	Very high	94.3	Very high	21 Å²	21	63.5 Å²	63.5	17%	0.174	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.3	150.2	166.9	0	0	0	0	0	111.6	Y219 K229 W240	Y219-A227 HydrophobicContact CE2-CB 4.4Å; A227-K229 PolarHBondContact O-N 3.32Å; A227-W240 HydrophobicContact CB-CB 4.08Å; A227-W240 HydrophobicContact CB-CE3 4.39Å
228	P	94.2	Very high	93.9	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-63.1	129.7	168.1	26.4	-31.6	0	0	0	109.9	F205 L208 V217 Y219 V230	F205-P228 HydrophobicContact CB-CB 3.9Å; F205-P228 HydrophobicContact CD1-CB 4.22Å; F205-P228 HydrophobicContact CD1-CG 4.44Å; F205-P228 HydrophobicContact CG-CB 4.21Å; F205-P228 HydrophobicContact CG-CG 4.42Å; L208-P228 HydrophobicContact CD1-CB 3.85Å; L208-P228 HydrophobicContact CG-CB 4.2Å; V217-P228 HydrophobicContact CG1-CG 4.15Å; V217-P228 HydrophobicContact CG2-CG 4.47Å; Y219-P228 HydrophobicContact CD1-CG 3.68Å; Y219-P228 HydrophobicContact CD2-CG 4.32Å; Y219-P228 HydrophobicContact CE1-CG 3.61Å; Y219-P228 VanDerWaalsContact CE2-CD 3.4Å; Y219-P228 HydrophobicContact CE2-CG 4.25Å; Y219-P228 HydrophobicContact CG-CG 4.05Å; P228-V230 HydrophobicContact CB-CG1 4.45Å; P228-V230 PolarHBondContact O-N 3.29Å
229	K	94.3	Very high	93.2	Very high	154 Å²	154	68.8 Å²	68.8	67%	0.67	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-76.1	122.6	170.5	-65.2	-179.2	-179.2	177.7	0	108.3	L208 A209 A227	L208-K229 CarbonylContact C-O 3.6Å; L208-K229 WeakPolarHBondContact CA-O 3.23Å; L208-K229 PolarHBondContact N-O 3.05Å; A209-K229 PolarHBondContact N-O 3.04Å; A209-K229 VanDerWaalsContact N-O 3.14Å; A227-K229 PolarHBondContact O-N 3.32Å
230	V	95	Very high	92.5	Very high	31 Å²	31	73.1 Å²	73.1	19%	0.188	36%	0.361	C	S	.	.			trans	-123	162.8	-176.7	-62	0	0	0	0	111	L208 V217 P228 V234 R236	L208-V230 HydrophobicContact CB-CG1 4.28Å; V217-V230 HydrophobicContact CG1-CG1 3.85Å; P228-V230 HydrophobicContact CB-CG1 4.45Å; P228-V230 PolarHBondContact O-N 3.29Å; V230-V234 HydrophobicContact CB-CB 3.77Å; V230-V234 HydrophobicContact CB-CG1 3.9Å; V230-V234 HydrophobicContact CB-CG2 4.18Å; V230-V234 HydrophobicContact CG1-CB 4.47Å; V230-V234 HydrophobicContact CG1-CG1 4.05Å; V230-V234 HydrophobicContact CG2-CB 3.83Å; V230-V234 HydrophobicContact CG2-CG1 4.21Å; V230-R236 HydrophobicContact CG1-CG 4.22Å; V230-R236 HydrophobicContact CG2-CG 3.88Å
231	A	93.7	Very high	91.6	Very high	37 Å²	37	72.2 Å²	72.2	31%	0.306	36%	0.359	S	S	.	.			trans	-68.8	165.9	174.1	0	0	0	0	0	111.7	G233 V234	A231-G233 PolarHBondContact O-N 3.11Å; A231-V234 HydrophobicContact CB-CG2 4.01Å; A231-V234 WeakPolarHBondContact O-CG2 3.44Å; A231-V234 PolarHBondContact O-N 3.09Å
232	K	90.2	Very high	90.2	Very high	219 Å²	219	75.5 Å²	75.5	95%	0.952	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	133.6	175.8	-172.4	-179.9	-179.9	-177.5	0	110.1
233	G	90.7	Very high	88.4	Confident	77 Å²	77	80.9 Å²	80.9	79%	0.794	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-9.6	179.6	0	0	0	0	0	114.7	A231 R235	A231-G233 PolarHBondContact O-N 3.11Å; G233-R235 PolarHBondContact O-N 3.43Å
234	V	94.9	Very high	86.3	Confident	18 Å²	18	82.6 Å²	82.6	11%	0.109	41%	0.41	C	S	.	.			trans	-74.4	124.7	173.7	-174.6	0	0	0	0	109.9	L214 V230 A231	L214-V234 HydrophobicContact CD2-CG1 3.97Å; L214-V234 HydrophobicContact CG-CG1 3.92Å; L214-V234 VanDerWaalsContact O-CG2 3.23Å; L214-V234 WeakPolarHBondContact O-CG2 3.28Å; V230-V234 HydrophobicContact CB-CB 3.77Å; V230-V234 HydrophobicContact CB-CG1 3.9Å; V230-V234 HydrophobicContact CB-CG2 4.18Å; V230-V234 HydrophobicContact CG1-CB 4.47Å; V230-V234 HydrophobicContact CG1-CG1 4.05Å; V230-V234 HydrophobicContact CG2-CB 3.83Å; V230-V234 HydrophobicContact CG2-CG1 4.21Å; A231-V234 HydrophobicContact CB-CG2 4.01Å; A231-V234 WeakPolarHBondContact O-CG2 3.44Å; A231-V234 PolarHBondContact O-N 3.09Å
235	R	94.8	Very high	84.2	Confident	177 Å²	177	88 Å²	88	67%	0.668	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.6	174.4	-173.3	174.6	179.1	-170	-0.1	109.9	K215 L216 V217 G233	K215-R235 PolarHBondContact O-N 2.89Å; L216-R235 WeakPolarHBondContact CA-O 3.38Å; L216-R235 HydrophobicContact CD1-CB 3.95Å; L216-R235 HydrophobicContact CD1-CG 3.92Å; V217-R235 PolarHBondContact N-O 3.32Å; G233-R235 PolarHBondContact O-N 3.43Å
236	R	94.4	Very high	81.9	Confident	47 Å²	47	87.5 Å²	87.5	18%	0.177	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.4	171.9	-73.5	178	-62.1	164.4	9.4	108.8	V217 Y219 V230 W240 A241 E243	V217-R236 HydrophobicContact CG1-CB 4.47Å; V217-R236 HydrophobicContact CG1-CG 3.8Å; V217-R236 CarbonylContact O-C 3.54Å; V217-R236 WeakPolarHBondContact O-CA 3.47Å; Y219-R236 HydrophobicContact CE1-CB 3.98Å; Y219-R236 HydrophobicContact CE1-CG 4.24Å; V230-R236 HydrophobicContact CG1-CG 4.22Å; V230-R236 HydrophobicContact CG2-CG 3.88Å; R236-W240 PolarHBondContact NH1-O 3.42Å; R236-A241 HydrophobicContact CB-CB 3.92Å; R236-A241 PolarHBondContact NH2-O 3.19Å; R236-A241 WeakPolarHBondContact O-CB 3.34Å; R236-E243 PolarHBondContact NH1-O 3.06Å; R236-E243 PolarHBondContact NH2-O 3.24Å
237	V	93.9	Very high	79.6	Confident	49 Å²	49	89.8 Å²	89.8	30%	0.297	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.3	170.3	-179.8	0	0	0	0	107.8	L216 V217 I218 Y219	L216-V237 HydrophobicContact CD1-CG2 3.85Å; V217-V237 PolarHBondContact O-N 2.85Å; I218-V237 HydrophobicContact CB-CB 4.32Å; I218-V237 HydrophobicContact CG1-CB 4.16Å; I218-V237 HydrophobicContact CG1-CG2 4.4Å; I218-V237 HydrophobicContact CG2-CB 4.02Å; I218-V237 HydrophobicContact CG2-CG1 4.03Å; Y219-V237 WeakPolarHBondContact CD1-O 3.17Å; Y219-V237 PolarHBondContact N-O 3.34Å
238	G	89.1	Confident	77.8	Confident	15 Å²	15	92.3 Å²	92.3	16%	0.155	48%	0.478	C	S	.	.	S	Bend	trans	150	-178.9	-180	0	0	0	0	0	112.9	W240 A241	G238-W240 PolarHBondContact O-N 3.4Å; G238-A241 WeakPolarHBondContact O-CB 3.47Å; G238-A241 PolarHBondContact O-N 3.45Å
239	R	81.7	Confident	75.9	Confident	120 Å²	120	96.8 Å²	96.8	45%	0.453	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	136.5	174.5	-65.8	-163.4	-64.3	-139.5	-3	111.2	Y219 N222 C224 A241	Y219-R239 WeakPolarHBondContact CE2-O 3.47Å; Y219-R239 PolarHBondContact OH-O 3.48Å; N222-R239 PolarHBondContact O-NH2 3.35Å; C224-R239 PolarHBondContact O-NH2 3.14Å; R239-A241 VanDerWaalsContact C-N 3.27Å; R239-A241 PolarHBondContact O-N 3.3Å
240	W	82	Confident	74.2	Confident	92 Å²	92	99.2 Å²	99.2	35%	0.348	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	17.7	-176.3	-43.9	-76.5	0	0	0	115.5	C224 A227 R236 G238 E242 E243	C224-W240 WeakPolarHBondContact O-CH2 3.49Å; A227-W240 HydrophobicContact CB-CB 4.08Å; A227-W240 HydrophobicContact CB-CE3 4.39Å; R236-W240 PolarHBondContact NH1-O 3.42Å; G238-W240 PolarHBondContact O-N 3.4Å; W240-E242 VanDerWaalsContact C-N 3.31Å; W240-E242 PolarHBondContact O-N 3.4Å; W240-E243 PolarHBondContact O-N 3.29Å
241	A	75.8	Confident	72.4	Confident	28 Å²	28	103.5 Å²	103.5	23%	0.231	53%	0.528	C	S	.	.	S	Bend	trans	-64.5	-33.6	175.2	0	0	0	0	0	113.5	R236 G238 R239	R236-A241 HydrophobicContact CB-CB 3.92Å; R236-A241 PolarHBondContact NH2-O 3.19Å; R236-A241 WeakPolarHBondContact O-CB 3.34Å; G238-A241 WeakPolarHBondContact O-CB 3.47Å; G238-A241 PolarHBondContact O-N 3.45Å; R239-A241 VanDerWaalsContact C-N 3.27Å; R239-A241 PolarHBondContact O-N 3.3Å
242	E	65.6	Low	70.6	Confident	188 Å²	188	103.6 Å²	103.6	88%	0.879	53%	0.529	S	S	*	.	S	Bend	trans	-81.3	-21.9	-179.6	-61.2	-170	172.5	0	0	113.3	W240 T244	W240-E242 VanDerWaalsContact C-N 3.31Å; W240-E242 PolarHBondContact O-N 3.4Å; E242-T244 PolarHBondContact O-N 3.34Å
243	E	58.3	Low	69.1	Low	118 Å²	118	102.2 Å²	102.2	55%	0.551	52%	0.518	S	S	*	.			trans	-70.6	94.6	174.2	-73.6	175.6	-165.1	0	0	108.5	R236 W240	R236-E243 PolarHBondContact NH1-O 3.06Å; R236-E243 PolarHBondContact NH2-O 3.24Å; W240-E243 PolarHBondContact O-N 3.29Å
244	T	51.7	Low	67.6	Low	107 Å²	107	107.1 Å²	107.1	66%	0.656	51%	0.512	S	S	*	.			trans	-49.6	134.9	153.7	47	0	0	0	0	107	E242 E246	E242-T244 PolarHBondContact O-N 3.34Å; T244-E246 PolarHBondContact O-N 3.02Å
245	P	49.2	Very low	66	Low	119 Å²	119	114.1 Å²	114.1	77%	0.773	54%	0.538	S	S	*	.			trans	-55.3	104.6	-178.7	20.8	-30.1	0	0	0	108.3
246	E	45.4	Very low	64.2	Low	170 Å²	170	108 Å²	108	79%	0.794	53%	0.526	S	S	*	.			trans	-57.3	131.4	175	-77	-168	157.2	0	0	106.5	T244 D248	T244-E246 PolarHBondContact O-N 3.02Å; E246-D248 PolarHBondContact O-N 3.18Å
247	P	45.2	Very low	62.6	Low	97 Å²	97	110.7 Å²	110.7	63%	0.63	54%	0.543	S	S	*	.			trans	-57.4	122.8	175.7	23.4	-30.3	0	0	0	107.2	P249	P247-P249 VanDerWaalsContact O-N 3.09Å
248	D	53.9	Low	61	Low	75 Å²	75	112.1 Å²	112.1	40%	0.401	55%	0.551	S	S	.	*			trans	-36.2	120.1	176.2	169.3	3.1	0	0	0	109.3	E246 R250 K251 A252	E246-D248 PolarHBondContact O-N 3.18Å; D248-R250 PolarHBondContact O-N 2.7Å; D248-R250 WeakPolarHBondContact OD1-CB 3.5Å; D248-R250 PolarHBondContact OD1-N 3.09Å; D248-K251 HydrophobicContact CB-CB 4.13Å; D248-K251 HydrophobicContact CB-CD 4.39Å; D248-K251 HydrophobicContact CB-CG 4.27Å; D248-K251 CarbonylContact O-C 3.52Å; D248-K251 WeakPolarHBondContact O-CA 3.04Å; D248-K251 WeakPolarHBondContact O-CB 3.28Å; D248-K251 PolarHBondContact O-N 3.32Å; D248-A252 PolarHBondContact O-N 3.2Å
249	P	54.5	Low	59.5	Low	94 Å²	94	120.2 Å²	120.2	61%	0.61	58%	0.577	S	S	*	*	H	α-helix	trans	-57.3	-23.2	-174.3	17.4	-28.9	0	0	0	112.1	P247 R253	P247-P249 VanDerWaalsContact O-N 3.09Å; P249-R253 WeakPolarHBondContact O-CB 3.41Å; P249-R253 VanDerWaalsContact O-CG 3.28Å; P249-R253 WeakPolarHBondContact O-CG 3.33Å; P249-R253 PolarHBondContact O-N 3.45Å
250	R	57.5	Low	58.3	Low	206 Å²	206	120.6 Å²	120.6	78%	0.777	58%	0.584	S	S	*	*	H	α-helix	trans	-71.8	-38.3	171.6	-61.3	-179.9	175.7	-177.6	-1.1	112.5	D248 R254	D248-R250 PolarHBondContact O-N 2.7Å; D248-R250 WeakPolarHBondContact OD1-CB 3.5Å; D248-R250 PolarHBondContact OD1-N 3.09Å; R250-R254 WeakPolarHBondContact O-CB 3.33Å; R250-R254 PolarHBondContact O-N 2.92Å
251	K	58	Low	57	Low	120 Å²	120	122 Å²	122	52%	0.522	60%	0.595	S	S	.	*	H	α-helix	trans	-70.2	-43	171.2	-78.7	-176.5	176.2	-179.8	0	111.5	D248 R253 R254 Y255	D248-K251 HydrophobicContact CB-CB 4.13Å; D248-K251 HydrophobicContact CB-CD 4.39Å; D248-K251 HydrophobicContact CB-CG 4.27Å; D248-K251 CarbonylContact O-C 3.52Å; D248-K251 WeakPolarHBondContact O-CA 3.04Å; D248-K251 WeakPolarHBondContact O-CB 3.28Å; D248-K251 PolarHBondContact O-N 3.32Å; K251-R253 VanDerWaalsContact C-N 3.34Å; K251-R253 PolarHBondContact O-N 3.26Å; K251-R254 PolarHBondContact O-N 3.49Å; K251-R254 VanDerWaalsContact O-N 3.1Å; K251-Y255 HydrophobicContact CB-CD2 4.3Å; K251-Y255 HydrophobicContact CB-CE2 4.17Å; K251-Y255 WeakPolarHBondContact O-CD2 3.34Å; K251-Y255 PolarHBondContact O-N 3.1Å
252	A	55	Low	56	Low	40 Å²	40	124 Å²	124	33%	0.331	61%	0.606	S	S	.	*	H	α-helix	trans	-59.4	-43.7	178	0	0	0	0	0	111.8	D248 R254 Y255 A256	D248-A252 PolarHBondContact O-N 3.2Å; A252-R254 PolarHBondContact O-N 3.19Å; A252-Y255 PolarHBondContact O-N 2.98Å; A252-A256 WeakPolarHBondContact O-CB 3.43Å; A252-A256 PolarHBondContact O-N 3.02Å
253	R	59.5	Low	55.5	Low	189 Å²	189	121.5 Å²	121.5	71%	0.713	60%	0.595	S	S	*	*	H	α-helix	trans	-61	-42.1	172.1	-76.6	177.3	179.8	-168.5	-0.1	112.5	P249 K251 A256 L257	P249-R253 WeakPolarHBondContact O-CB 3.41Å; P249-R253 VanDerWaalsContact O-CG 3.28Å; P249-R253 WeakPolarHBondContact O-CG 3.33Å; P249-R253 PolarHBondContact O-N 3.45Å; K251-R253 VanDerWaalsContact C-N 3.34Å; K251-R253 PolarHBondContact O-N 3.26Å; R253-A256 PolarHBondContact O-N 3.44Å; R253-L257 WeakPolarHBondContact O-CD1 3.4Å; R253-L257 PolarHBondContact O-N 2.86Å
254	R	59.3	Low	55.3	Low	180 Å²	180	124.1 Å²	124.1	68%	0.679	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-37.2	178.2	-147.4	174.2	77.9	165.3	8.3	112.4	R250 K251 A252 V258	R250-R254 WeakPolarHBondContact O-CB 3.33Å; R250-R254 PolarHBondContact O-N 2.92Å; K251-R254 PolarHBondContact O-N 3.49Å; K251-R254 VanDerWaalsContact O-N 3.1Å; A252-R254 PolarHBondContact O-N 3.19Å; R254-V258 VanDerWaalsContact O-CG2 3.25Å; R254-V258 WeakPolarHBondContact O-CG2 3.34Å; R254-V258 PolarHBondContact O-N 2.84Å
255	Y	60.7	Low	55.3	Low	165 Å²	165	126.3 Å²	126.3	65%	0.647	61%	0.614	S	S	*	*	H	α-helix	trans	-70.5	-33	173.4	-75.6	-67.9	0	0	0	112.6	K251 A252 R259	K251-Y255 HydrophobicContact CB-CD2 4.3Å; K251-Y255 HydrophobicContact CB-CE2 4.17Å; K251-Y255 WeakPolarHBondContact O-CD2 3.34Å; K251-Y255 PolarHBondContact O-N 3.1Å; A252-Y255 PolarHBondContact O-N 2.98Å; Y255-R259 WeakPolarHBondContact O-CB 3.27Å; Y255-R259 PolarHBondContact O-N 2.95Å
256	A	57.3	Low	55.5	Low	50 Å²	50	128.6 Å²	128.6	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-66.9	-47.3	174.5	0	0	0	0	0	111.8	A252 R253 V258 R259 E260	A252-A256 WeakPolarHBondContact O-CB 3.43Å; A252-A256 PolarHBondContact O-N 3.02Å; R253-A256 PolarHBondContact O-N 3.44Å; A256-V258 PolarHBondContact O-N 3.34Å; A256-R259 WeakPolarHBondContact O-CB 3.23Å; A256-R259 PolarHBondContact O-N 3.46Å; A256-R259 VanDerWaalsContact O-N 3.09Å; A256-E260 PolarHBondContact O-N 3.35Å
257	L	61.4	Low	55.9	Low	103 Å²	103	124.3 Å²	124.3	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-58.8	-45.2	176.6	-95	134.5	0	0	0	112.8	R253 R259 E260 E261	R253-L257 WeakPolarHBondContact O-CD1 3.4Å; R253-L257 PolarHBondContact O-N 2.86Å; L257-R259 PolarHBondContact O-N 2.92Å; L257-E260 PolarHBondContact O-N 3.5Å; L257-E261 PolarHBondContact O-N 3.11Å; L257-E261 VanDerWaalsContact O-N 3.08Å
258	V	60.9	Low	56	Low	78 Å²	78	125.7 Å²	125.7	47%	0.473	62%	0.617	S	S	.	*	H	α-helix	trans	-65.2	-29.8	177.4	172.6	0	0	0	0	111.8	R254 A256 S262	R254-V258 VanDerWaalsContact O-CG2 3.25Å; R254-V258 WeakPolarHBondContact O-CG2 3.34Å; R254-V258 PolarHBondContact O-N 2.84Å; A256-V258 PolarHBondContact O-N 3.34Å; V258-S262 WeakPolarHBondContact O-CB 3.25Å; V258-S262 PolarHBondContact O-N 2.76Å; V258-S262 PolarHBondContact O-OG 2.96Å
259	R	56.7	Low	56.2	Low	185 Å²	185	128.5 Å²	128.5	70%	0.698	64%	0.637	S	S	*	*	H	α-helix	trans	-77.7	-33.4	179.9	-155.4	178	-176.3	-174.5	-0.4	112.2	Y255 A256 L257 Q263	Y255-R259 WeakPolarHBondContact O-CB 3.27Å; Y255-R259 PolarHBondContact O-N 2.95Å; A256-R259 WeakPolarHBondContact O-CB 3.23Å; A256-R259 PolarHBondContact O-N 3.46Å; A256-R259 VanDerWaalsContact O-N 3.09Å; L257-R259 PolarHBondContact O-N 2.92Å; R259-Q263 WeakPolarHBondContact O-CG 3.5Å; R259-Q263 PolarHBondContact O-N 2.77Å
260	E	56.6	Low	56.5	Low	128 Å²	128	129.1 Å²	129.1	60%	0.598	64%	0.641	S	S	*	*	H	α-helix	trans	-68.2	-45.5	171.7	-74.6	177.9	167.2	0	0	111.3	A256 L257 S262 Q263 E264	A256-E260 PolarHBondContact O-N 3.35Å; L257-E260 PolarHBondContact O-N 3.5Å; E260-S262 PolarHBondContact O-N 2.97Å; E260-Q263 PolarHBondContact O-N 2.99Å; E260-E264 PolarHBondContact O-N 3.15Å
261	E	55.2	Low	56.7	Low	123 Å²	123	124.8 Å²	124.8	58%	0.575	64%	0.639	S	S	*	*	H	α-helix	trans	-60.2	-33	175.1	-74.8	-179.8	160.5	0	0	112.5	L257	L257-E261 PolarHBondContact O-N 3.11Å; L257-E261 VanDerWaalsContact O-N 3.08Å
262	S	54.8	Low	57	Low	68 Å²	68	124.6 Å²	124.6	48%	0.476	65%	0.65	S	S	.	*	H	α-helix	trans	-74.6	-24.3	177.7	-56.3	0	0	0	0	113.4	V258 E260	V258-S262 WeakPolarHBondContact O-CB 3.25Å; V258-S262 PolarHBondContact O-N 2.76Å; V258-S262 PolarHBondContact O-OG 2.96Å; E260-S262 PolarHBondContact O-N 2.97Å
263	Q	54.6	Low	57.2	Low	136 Å²	136	128.8 Å²	128.8	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-85.4	-31	179.4	-78.5	-179	-29.1	0	0	112.3	R259 E260 L265 Q266	R259-Q263 WeakPolarHBondContact O-CG 3.5Å; R259-Q263 PolarHBondContact O-N 2.77Å; E260-Q263 PolarHBondContact O-N 2.99Å; Q263-L265 VanDerWaalsContact C-N 3.26Å; Q263-L265 PolarHBondContact O-N 2.85Å; Q263-Q266 PolarHBondContact O-N 3.22Å
264	E	53.3	Low	57.4	Low	173 Å²	173	127.7 Å²	127.7	81%	0.808	68%	0.682	S	S	*	*	H	α-helix	trans	-67.5	-24.9	173.1	-76.1	-172.3	154.1	0	0	113.2	E260 Q266	E260-E264 PolarHBondContact O-N 3.15Å; E264-Q266 VanDerWaalsContact C-N 3.3Å; E264-Q266 PolarHBondContact O-N 3.08Å
265	L	53.2	Low	57	Low	154 Å²	154	124.7 Å²	124.7	81%	0.806	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-4.2	176.9	-75.8	160.9	0	0	0	114.2	Q263	Q263-L265 VanDerWaalsContact C-N 3.26Å; Q263-L265 PolarHBondContact O-N 2.85Å
266	Q	51.7	Low	56.5	Low	166 Å²	166	125 Å²	125	78%	0.776	70%	0.698	S	S	*	*			trans	-110.8	63.5	174.1	-75.4	-174.8	-8.5	0	0	111.1	Q263 E264	Q263-Q266 PolarHBondContact O-N 3.22Å; E264-Q266 VanDerWaalsContact C-N 3.3Å; E264-Q266 PolarHBondContact O-N 3.08Å
267	A	53.9	Low	56.2	Low	80 Å²	80	128.9 Å²	128.9	66%	0.661	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-69.9	139.4	162.7	0	0	0	0	0	110	V269	A267-V269 PolarHBondContact O-N 3.2Å
268	P	48.2	Very low	55.6	Low	126 Å²	126	131.6 Å²	131.6	82%	0.818	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-66.9	129.1	-179.5	25.2	-31.2	0	0	0	111.2
269	V	57.2	Low	55.1	Low	134 Å²	134	137.1 Å²	137.1	81%	0.812	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-60.5	128.9	173	-179.1	0	0	0	0	108.9	A267	A267-V269 PolarHBondContact O-N 3.2Å
270	P	61.3	Low	55.1	Low	107 Å²	107	134.8 Å²	134.8	70%	0.695	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.2	146.9	179.6	26	-32.2	0	0	0	111.1
271	P	62.3	Low	55	Low	115 Å²	115	135.1 Å²	135.1	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.6	151.2	-177.1	27.4	-33.4	0	0	0	111.9
272	P	63.2	Low	55	Low	116 Å²	116	135.8 Å²	135.8	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	147.8	-178.7	28.3	-33.3	0	0	0	111.8
273	P	60.1	Low	55	Low	129 Å²	129	139.8 Å²	139.8	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.9	140.3	-179.6	26.2	-31	0	0	0	112.2
274	L	63.9	Low	55	Low	166 Å²	166	140 Å²	140	87%	0.869	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.8	147	178.8	-73.3	163.2	0	0	0	111.9
275	P	50	Low	55.1	Low	117 Å²	117	137.8 Å²	137.8	76%	0.76	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.3	135.2	-178	28.9	-34.4	0	0	0	112.4
276	L	50.1	Low	55.3	Low	172 Å²	172	136.6 Å²	136.6	90%	0.901	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-64.7	126.8	174.8	-72.1	159.1	0	0	0	110.5
277	T	50.8	Low	55.5	Low	131 Å²	131	134.4 Å²	134.4	80%	0.804	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-87.4	119.1	167.4	42.8	0	0	0	0	108.5
278	N	48.7	Very low	55.7	Low	160 Å²	160	138.9 Å²	138.9	86%	0.856	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-69.1	135.4	170.8	-85.3	-10.5	0	0	0	109.7
279	S	52.2	Low	56.3	Low	194 Å²	194	140.1 Å²	140.1	100%	1.357	85%	0.854	S	S	*	*			trans	-103.8	0	157.3	-59.2	0	0	0	0	109.1

Retrieved 279 of 279 residues in 1335.1 ms (Link to these results)

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