A0A077ZF07_TRITR Loading...

THUMP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 aa.

Structure Viewer

Loading PAE data...

(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	46.4	Very low	39.9	Very low	248 Å²	248	167.8 Å²	167.8	100%	1.222	87%	0.869	S	S	*	*				0	103.1	0	-67.6	-179.4	-170.5	0	0	107.7
2	G	39.9	Very low	39.3	Very low	78 Å²	78	169.3 Å²	169.3	80%	0.804	86%	0.864	S	S	*	*			trans	-91.2	120.4	-171.2	0	0	0	0	0	112.5	K4	G2-K4 PolarHBondContact O-N 2.7Å
3	N	42.4	Very low	38.5	Very low	168 Å²	168	170.2 Å²	170.2	90%	0.898	87%	0.87	S	S	*	*			trans	-70.1	115.1	178.5	-92.6	-13.5	0	0	0	111.7
4	K	44.4	Very low	37.8	Very low	207 Å²	207	169.9 Å²	169.9	90%	0.9	86%	0.863	S	S	*	*			trans	-83.3	112.1	165.8	-74.3	-176.7	176.8	179.4	0	109.4	G2 G6	G2-K4 PolarHBondContact O-N 2.7Å; K4-G6 PolarHBondContact O-N 2.84Å
5	R	39.8	Very low	37.5	Very low	243 Å²	243	166.3 Å²	166.3	92%	0.917	86%	0.86	S	S	*	*			trans	-73	111.4	162.9	-81.9	178.8	172.6	162.5	-2.4	108.5
6	G	41.8	Very low	37.1	Very low	70 Å²	70	164.6 Å²	164.6	72%	0.722	86%	0.859	S	S	*	*			trans	-73	129.5	170.6	0	0	0	0	0	110.6	K4 I8	K4-G6 PolarHBondContact O-N 2.84Å; G6-I8 PolarHBondContact O-N 2.9Å
7	Y	33.9	Very low	36.6	Very low	231 Å²	231	165.4 Å²	165.4	91%	0.906	86%	0.858	S	S	*	*			trans	-65.9	123.4	172.2	-89.7	-101.6	0	0	0	110.2
8	I	40.3	Very low	36.3	Very low	152 Å²	152	162.9 Å²	162.9	78%	0.779	85%	0.854	S	S	*	*			trans	-78.5	116	164.4	-63.1	175.1	0	0	0	106.9	G6 N10	G6-I8 PolarHBondContact O-N 2.9Å; I8-N10 PolarHBondContact O-N 3.13Å
9	Q	36.3	Very low	36	Very low	186 Å²	186	163.4 Å²	163.4	87%	0.869	86%	0.856	S	S	*	*			trans	-71.6	112.7	170.9	-74.2	178.1	-17.5	0	0	108.9
10	N	36.2	Very low	35.7	Very low	144 Å²	144	159.7 Å²	159.7	77%	0.77	85%	0.85	S	S	*	*			trans	-73	133.8	165.3	-85.8	-30.3	0	0	0	109.4	I8 K12	I8-N10 PolarHBondContact O-N 3.13Å; N10-K12 PolarHBondContact O-N 2.63Å
11	P	37	Very low	35.4	Very low	119 Å²	119	161.9 Å²	161.9	77%	0.773	85%	0.853	S	S	*	*			trans	-71.1	130.4	175.6	28.3	-30.3	0	0	0	109.8	L13	P11-L13 PolarHBondContact O-N 3.47Å; P11-L13 VanDerWaalsContact O-N 3.11Å
12	K	33.3	Very low	34.9	Very low	186 Å²	186	158.7 Å²	158.7	81%	0.809	83%	0.832	S	S	*	*			trans	-60.1	109	175.6	-70.2	-178.6	176	-173.7	0	110.2	N10 E14	N10-K12 PolarHBondContact O-N 2.63Å; K12-E14 PolarHBondContact O-N 3.01Å
13	L	28.9	Very low	34.8	Very low	180 Å²	180	159.9 Å²	159.9	94%	0.942	83%	0.828	S	S	*	*			trans	-86.8	86.5	162.1	-162.4	82.4	0	0	0	107.1	P11	P11-L13 PolarHBondContact O-N 3.47Å; P11-L13 VanDerWaalsContact O-N 3.11Å
14	E	28.8	Very low	34.9	Very low	166 Å²	166	155.8 Å²	155.8	78%	0.776	81%	0.811	S	S	*	*			trans	-140.6	86.8	-178.5	-139.6	171.5	-155.3	0	0	109.5	K12	K12-E14 PolarHBondContact O-N 3.01Å
15	S	33.6	Very low	35.3	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	78%	0.78	S	S	*	*			trans	-162.6	88.5	144.9	43.5	0	0	0	0	107.8	E17	S15-E17 PolarHBondContact O-N 3.24Å
16	T	30.1	Very low	36	Very low	139 Å²	139	144.2 Å²	144.2	85%	0.853	77%	0.771	S	S	*	*			trans	-58.6	114.6	160.8	45	0	0	0	0	108.1
17	E	29.5	Very low	37.1	Very low	179 Å²	179	143.1 Å²	143.1	84%	0.836	75%	0.748	S	S	*	*			trans	-50	135.4	166.1	-71.7	-178.9	140.6	0	0	109.3	S15 L19	S15-E17 PolarHBondContact O-N 3.24Å; E17-L19 PolarHBondContact O-N 3.44Å
18	P	30.2	Very low	38.8	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	74%	0.736	S	S	*	*			trans	-67.8	112.2	175.5	27	-28.3	0	0	0	107.5	A20	P18-A20 PolarHBondContact O-N 2.99Å
19	L	30.8	Very low	41	Very low	173 Å²	173	135.9 Å²	135.9	91%	0.906	72%	0.723	S	S	*	*			trans	-42.8	108.9	162.6	-81	159.4	0	0	0	107.6	E17 K21	E17-L19 PolarHBondContact O-N 3.44Å; L19-K21 PolarHBondContact O-N 3.49Å; L19-K21 VanDerWaalsContact O-N 3.08Å
20	A	29.6	Very low	43.6	Very low	89 Å²	89	130.7 Å²	130.7	74%	0.736	71%	0.705	S	S	*	*			trans	-44.7	121.6	-179.9	0	0	0	0	0	108.5	P18 K22	P18-A20 PolarHBondContact O-N 2.99Å; A20-K22 VanDerWaalsContact C-N 3.34Å; A20-K22 PolarHBondContact O-N 3.42Å
21	K	30.6	Very low	46.4	Very low	206 Å²	206	124.5 Å²	124.5	90%	0.896	67%	0.672	S	S	*	*			trans	-52.4	102.4	175.3	-84.6	177.6	176.7	173	0	107.1	L19 S23	L19-K21 PolarHBondContact O-N 3.49Å; L19-K21 VanDerWaalsContact O-N 3.08Å; K21-S23 PolarHBondContact O-N 3.49Å
22	K	35.5	Very low	49.2	Very low	180 Å²	180	121.1 Å²	121.1	78%	0.783	65%	0.651	S	S	*	*			trans	-54.3	116.2	173.6	-78.3	-174.9	174.3	-174.4	0	106.7	A20 C24	A20-K22 VanDerWaalsContact C-N 3.34Å; A20-K22 PolarHBondContact O-N 3.42Å; K22-C24 PolarHBondContact O-N 3.48Å
23	S	38.2	Very low	52.2	Low	103 Å²	103	116.5 Å²	116.5	72%	0.72	64%	0.638	S	S	*	*			trans	-55.7	105.2	177.8	135.2	0	0	0	0	107.4	K21 T25	K21-S23 PolarHBondContact O-N 3.49Å; S23-T25 PolarHBondContact O-N 3.01Å
24	C	43.1	Very low	55.3	Low	82 Å²	82	111 Å²	111	55%	0.554	63%	0.625	S	S	*	*			trans	-61.5	111.9	174.3	-168.4	0	0	0	0	106.6	K22 K26	K22-C24 PolarHBondContact O-N 3.48Å; C24-K26 PolarHBondContact O-N 3.46Å
25	T	54.5	Low	58.4	Low	41 Å²	41	104.3 Å²	104.3	25%	0.252	59%	0.594	S	S	.	*			trans	-60.9	103.7	-178.7	-39.3	0	0	0	0	108.4	S23 M27 I56	S23-T25 PolarHBondContact O-N 3.01Å; T25-M27 PolarHBondContact O-N 3.36Å; T25-M27 VanDerWaalsContact O-N 3.13Å; T25-I56 HydrophobicContact CG2-CD1 3.6Å
26	K	53.6	Low	61.4	Low	166 Å²	166	100.2 Å²	100.2	72%	0.722	57%	0.566	S	S	*	*			trans	-68.8	111.7	-176.5	-75.8	-169.6	178.1	-177.6	0	109.7	C24 D28	C24-K26 PolarHBondContact O-N 3.46Å; K26-D28 VanDerWaalsContact C-N 3.27Å; K26-D28 WeakPolarHBondContact CB-OD2 3.26Å; K26-D28 WeakPolarHBondContact CD-OD2 3.39Å; K26-D28 PolarHBondContact O-N 3.33Å
27	M	64.7	Low	64.5	Low	47 Å²	47	93.6 Å²	93.6	23%	0.232	53%	0.525	C	S	.	.			trans	-86.5	65.9	173.1	-70.1	178.7	-105.9	0	0	109.7	T25 A48 A52 C106	T25-M27 PolarHBondContact O-N 3.36Å; T25-M27 VanDerWaalsContact O-N 3.13Å; M27-A48 HydrophobicContact CE-CB 4.23Å; M27-A52 HydrophobicContact CE-CB 3.63Å; M27-A52 HydrophobicContact SD-CB 4.07Å; M27-C106 HydrophobicContact CG-CB 3.93Å; M27-C106 HydrophobicContact SD-CB 4.46Å; M27-C106 PolarHBondContact SD-SG 3.43Å
28	D	69.7	Low	67.8	Low	122 Å²	122	85.1 Å²	85.1	65%	0.652	49%	0.485	S	S	*	.			trans	-84.7	-22.4	-170.9	-68	-19.2	0	0	0	113	K26	K26-D28 VanDerWaalsContact C-N 3.27Å; K26-D28 WeakPolarHBondContact CB-OD2 3.26Å; K26-D28 WeakPolarHBondContact CD-OD2 3.39Å; K26-D28 PolarHBondContact O-N 3.33Å
29	Q	86	Confident	70.9	Confident	110 Å²	110	79.5 Å²	79.5	51%	0.514	45%	0.448	S	S	.	.	S	Bend	trans	-98.6	137.3	-177.1	-67.7	-173.8	-11.8	0	0	112.2	V107 T108	Q29-V107 HydrophobicContact CB-CG1 4.21Å; Q29-V107 CarbonylContact O-C 3.55Å; Q29-V107 VanDerWaalsContact O-CA 3.3Å; Q29-V107 WeakPolarHBondContact O-CA 3.34Å; Q29-V107 WeakPolarHBondContact O-CB 3.3Å; Q29-T108 PolarHBondContact O-N 2.99Å
30	P	92.5	Very high	74	Confident	76 Å²	76	71.2 Å²	71.2	49%	0.494	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-78.1	150.2	174.1	32.2	-34	0	0	0	111.8	S32 T108	P30-S32 PolarHBondContact O-N 3.08Å; P30-S32 PolarHBondContact O-OG 3.11Å; P30-T108 CarbonylContact C-O 3.57Å; P30-T108 WeakPolarHBondContact CA-O 3.37Å; P30-T108 HydrophobicContact CB-CG2 4.37Å
31	L	95	Very high	77.1	Confident	15 Å²	15	67.5 Å²	67.5	8%	0.079	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-52.2	123.9	166.2	178	63.7	0	0	0	109.3	M35 V107 T108 T109 F116 V234 V237	L31-M35 HydrophobicContact CD1-SD 4.09Å; L31-V107 HydrophobicContact CB-CG2 4.17Å; L31-V107 HydrophobicContact CD1-CG2 4.28Å; L31-T108 PolarHBondContact N-O 2.78Å; L31-T109 HydrophobicContact CD2-CG2 4.42Å; L31-F116 HydrophobicContact CD1-CB 4.28Å; L31-F116 HydrophobicContact CD1-CD1 3.9Å; L31-F116 HydrophobicContact CD1-CD2 4.01Å; L31-F116 HydrophobicContact CD1-CE1 4.2Å; L31-F116 HydrophobicContact CD1-CE2 4.29Å; L31-F116 HydrophobicContact CD1-CG 3.8Å; L31-F116 HydrophobicContact CD1-CZ 4.38Å; L31-V234 HydrophobicContact CD2-CB 4.09Å; L31-V234 HydrophobicContact CD2-CG1 4.22Å; L31-V237 HydrophobicContact CD2-CB 4.18Å; L31-V237 HydrophobicContact CD2-CG1 4.21Å; L31-V237 HydrophobicContact CG-CB 4.18Å; L31-V237 HydrophobicContact CG-CG1 4.04Å; L31-V237 HydrophobicContact CG-CG2 4.33Å; L31-V237 WeakPolarHBondContact O-CG2 3.28Å
32	S	94.4	Very high	80.2	Confident	47 Å²	47	58 Å²	58	33%	0.329	33%	0.333	S	S	.	.			trans	-134.9	165	-171.3	-60.7	0	0	0	0	111.1	P30 M35 S155	P30-S32 PolarHBondContact O-N 3.08Å; P30-S32 PolarHBondContact O-OG 3.11Å; S32-M35 PolarHBondContact N-SD 3.32Å; S32-M35 VanDerWaalsContact N-SD 3.39Å; S32-M35 WeakPolarHBondContact O-CG 3.41Å; S32-S155 PolarHBondContact O-OG 3.32Å
33	V	96.1	Very high	83	Confident	89 Å²	89	51.1 Å²	51.1	54%	0.539	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	144.2	176.7	174.4	0	0	0	0	111.1	M35 A157	V33-M35 VanDerWaalsContact C-N 3.31Å; V33-A157 HydrophobicContact CG2-CB 4.22Å
34	G	94.6	Very high	85.5	Confident	64 Å²	64	51.5 Å²	51.5	66%	0.66	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	1.1	177.5	0	0	0	0	0	114.8	S155	G34-S155 PolarHBondContact N-O 2.95Å; G34-S155 PolarHBondContact N-OG 2.93Å; G34-S155 VanDerWaalsContact N-OG 3.15Å
35	M	94.8	Very high	87.6	Confident	27 Å²	27	51.3 Å²	51.3	13%	0.133	32%	0.316	C	S	.	.			trans	-77.7	142.9	171.5	-66.2	-179.3	169.7	0	0	111.7	L31 S32 V33 F105 V107 F116 V118 S155	L31-M35 HydrophobicContact CD1-SD 4.09Å; S32-M35 PolarHBondContact N-SD 3.32Å; S32-M35 VanDerWaalsContact N-SD 3.39Å; S32-M35 WeakPolarHBondContact O-CG 3.41Å; V33-M35 VanDerWaalsContact C-N 3.31Å; M35-F105 HydrophobicContact CE-CE2 4.49Å; M35-V107 HydrophobicContact CE-CG1 4.09Å; M35-V107 HydrophobicContact SD-CG1 4.31Å; M35-V107 HydrophobicContact SD-CG2 4.23Å; M35-F116 HydrophobicContact CB-CE1 4.18Å; M35-V118 HydrophobicContact CB-CG2 4.45Å; M35-V118 HydrophobicContact CE-CG2 4.46Å; M35-V118 HydrophobicContact CG-CG2 4.29Å; M35-V118 HydrophobicContact SD-CG2 3.86Å; M35-S155 WeakPolarHBondContact CA-OG 3.44Å; M35-S155 PolarHBondContact N-OG 3.4Å; M35-S155 WeakPolarHBondContact O-CB 3.45Å; M35-S155 PolarHBondContact O-N 3.42Å; M35-S155 PolarHBondContact O-OG 2.93Å
36	S	95.6	Very high	89.2	Confident	30 Å²	30	53.9 Å²	53.9	21%	0.21	32%	0.323	C	S	.	.			trans	-122.7	147.6	169.5	178.7	0	0	0	0	108.8	V118 I119 C152 Q153	S36-V118 WeakPolarHBondContact O-CA 3.41Å; S36-I119 PolarHBondContact O-N 2.89Å; S36-C152 CarbonylContact C-O 3.45Å; S36-C152 WeakPolarHBondContact CA-O 3.33Å; S36-C152 PolarHBondContact OG-O 3.14Å; S36-Q153 WeakPolarHBondContact CB-O 3.03Å; S36-Q153 PolarHBondContact OG-O 3.13Å
37	G	96.6	Very high	91	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158	-152.8	-175.4	0	0	0	0	0	114.5	I117 P124 C152	G37-I117 CarbonylContact C-O 3.56Å; G37-I117 WeakPolarHBondContact CA-O 3.32Å; G37-P124 WeakPolarHBondContact O-CB 3.42Å; G37-C152 PolarHBondContact N-O 3.01Å; G37-C152 PolarHBondContact O-N 3Å
38	V	97.4	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	-178	-174.9	0	0	0	0	110.2	F40 F116 I117 I119 P124 L127 V128 L149	V38-F40 HydrophobicContact CB-CD2 4.22Å; V38-F40 HydrophobicContact CB-CE2 3.56Å; V38-F40 HydrophobicContact CB-CZ 4.05Å; V38-F40 HydrophobicContact CG1-CD2 3.87Å; V38-F40 HydrophobicContact CG1-CE1 4.22Å; V38-F40 HydrophobicContact CG1-CE2 3.42Å; V38-F40 VanDerWaalsContact CG1-CE2 3.42Å; V38-F40 HydrophobicContact CG1-CG 4.44Å; V38-F40 HydrophobicContact CG1-CZ 3.61Å; V38-F40 WeakPolarHBondContact O-CD2 3.39Å; V38-F116 WeakPolarHBondContact O-CA 3.32Å; V38-I117 PolarHBondContact N-O 3.19Å; V38-I117 PolarHBondContact O-N 3.39Å; V38-I119 HydrophobicContact CG2-CD1 3.81Å; V38-P124 HydrophobicContact CG2-CB 4.22Å; V38-L127 HydrophobicContact CG2-CD2 3.94Å; V38-V128 HydrophobicContact CB-CG2 4.39Å; V38-V128 HydrophobicContact CG1-CG2 3.8Å; V38-V128 HydrophobicContact CG2-CG2 3.61Å; V38-L149 HydrophobicContact CG1-CB 4.23Å
39	F	95.7	Very high	93.1	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.3	171.9	178.6	-88.3	0	0	0	109.4	T41 T109 T114 F116 L150 V234	F39-T41 HydrophobicContact CE1-CG2 3.93Å; F39-T109 HydrophobicContact CE2-CG2 4.37Å; F39-T114 HydrophobicContact CD2-CG2 4.02Å; F39-T114 HydrophobicContact CE1-CG2 3.92Å; F39-T114 HydrophobicContact CE2-CG2 3.04Å; F39-T114 HydrophobicContact CZ-CG2 3.01Å; F39-F116 HydrophobicContact CB-CD2 3.82Å; F39-F116 HydrophobicContact CB-CE2 4.23Å; F39-F116 HydrophobicContact CD2-CD2 4.22Å; F39-L150 HydrophobicContact CB-CB 4.19Å; F39-L150 WeakPolarHBondContact CB-O 3.33Å; F39-L150 HydrophobicContact CD1-CB 4.13Å; F39-L150 HydrophobicContact CD1-CD1 3.84Å; F39-L150 HydrophobicContact CD1-CG 4.34Å; F39-L150 HydrophobicContact CE1-CD1 4.17Å; F39-L150 PolarHBondContact N-O 3.42Å; F39-L150 PolarHBondContact O-N 3.14Å; F39-V234 HydrophobicContact CD2-CG2 4.07Å; F39-V234 HydrophobicContact CE2-CB 4.38Å; F39-V234 HydrophobicContact CE2-CG1 4.16Å; F39-V234 HydrophobicContact CE2-CG2 3.34Å; F39-V234 HydrophobicContact CZ-CG2 3.83Å
40	F	96.2	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.9	179.5	-67	-98.9	0	0	0	110.8	V38 A55 L58 V59 T114 L115 I117 L146 R148 L149	V38-F40 HydrophobicContact CB-CD2 4.22Å; V38-F40 HydrophobicContact CB-CE2 3.56Å; V38-F40 HydrophobicContact CB-CZ 4.05Å; V38-F40 HydrophobicContact CG1-CD2 3.87Å; V38-F40 HydrophobicContact CG1-CE1 4.22Å; V38-F40 HydrophobicContact CG1-CE2 3.42Å; V38-F40 VanDerWaalsContact CG1-CE2 3.42Å; V38-F40 HydrophobicContact CG1-CG 4.44Å; V38-F40 HydrophobicContact CG1-CZ 3.61Å; V38-F40 WeakPolarHBondContact O-CD2 3.39Å; F40-A55 HydrophobicContact CD1-CB 4.44Å; F40-A55 HydrophobicContact CD2-CB 4.14Å; F40-A55 HydrophobicContact CE1-CB 4.31Å; F40-A55 HydrophobicContact CE2-CB 4.02Å; F40-A55 HydrophobicContact CG-CB 4.35Å; F40-A55 HydrophobicContact CZ-CB 4.11Å; F40-L58 HydrophobicContact CE1-CD2 4.03Å; F40-L58 HydrophobicContact CZ-CD2 4.39Å; F40-V59 HydrophobicContact CE2-CG2 4.23Å; F40-V59 HydrophobicContact CZ-CG2 3.91Å; F40-T114 WeakPolarHBondContact O-CA 2.88Å; F40-L115 HydrophobicContact CB-CD1 3.74Å; F40-L115 HydrophobicContact CB-CG 3.97Å; F40-L115 HydrophobicContact CD2-CD1 3.64Å; F40-L115 HydrophobicContact CG-CD1 3.97Å; F40-L115 PolarHBondContact N-O 2.71Å; F40-L115 PolarHBondContact O-N 3.15Å; F40-I117 HydrophobicContact CD2-CG1 4.01Å; F40-I117 HydrophobicContact CE2-CB 4.14Å; F40-I117 HydrophobicContact CE2-CG1 3.64Å; F40-L146 HydrophobicContact CD1-CB 4.23Å; F40-L146 HydrophobicContact CD1-CD1 3.92Å; F40-L146 HydrophobicContact CD1-CD2 4.27Å; F40-L146 HydrophobicContact CD1-CG 4.37Å; F40-L146 HydrophobicContact CE1-CD1 3.84Å; F40-R148 VanDerWaalsContact CA-O 3.27Å; F40-R148 WeakPolarHBondContact CA-O 3.41Å; F40-L149 HydrophobicContact CD1-CD1 4.36Å; F40-L149 HydrophobicContact CD1-CG 3.83Å; F40-L149 HydrophobicContact CE1-CB 4.47Å; F40-L149 HydrophobicContact CE1-CD1 4.25Å; F40-L149 HydrophobicContact CE1-CD2 3.78Å; F40-L149 HydrophobicContact CE1-CG 3.47Å; F40-L149 VanDerWaalsContact CE1-CG 3.47Å; F40-L149 HydrophobicContact CZ-CD2 4.37Å; F40-L149 HydrophobicContact CZ-CG 4.33Å
41	T	95.5	Very high	93.6	Very high	10 Å²	10	44.6 Å²	44.6	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.5	158.3	67.3	0	0	0	0	109.1	F39 N113 Q147 R148	F39-T41 HydrophobicContact CE1-CG2 3.93Å; T41-N113 CarbonylContact C-O 3.57Å; T41-N113 WeakPolarHBondContact CA-O 3.49Å; T41-Q147 PolarHBondContact O-N 3.44Å; T41-R148 HydrophobicContact CG2-CB 4.39Å; T41-R148 PolarHBondContact N-O 3.18Å; T41-R148 VanDerWaalsContact N-O 3.11Å; T41-R148 PolarHBondContact O-N 3.42Å; T41-R148 VanDerWaalsContact OG1-CB 3.32Å; T41-R148 WeakPolarHBondContact OG1-CB 3.1Å; T41-R148 PolarHBondContact OG1-N 2.91Å; T41-R148 VanDerWaalsContact OG1-N 3.14Å
42	T	95.3	Very high	93.5	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	159.6	-175	71.6	0	0	0	0	111.8	C51 N113 L115 L145 L146	T42-C51 HydrophobicContact CG2-CB 3.63Å; T42-N113 PolarHBondContact N-O 3.28Å; T42-N113 VanDerWaalsContact OG1-CA 3.28Å; T42-N113 WeakPolarHBondContact OG1-CA 3.22Å; T42-N113 PolarHBondContact OG1-O 3.4Å; T42-L115 HydrophobicContact CG2-CD2 3.69Å; T42-L115 HydrophobicContact CG2-CG 4.16Å; T42-L145 CarbonylContact C-O 3.56Å; T42-L145 VanDerWaalsContact CA-O 3.26Å; T42-L145 WeakPolarHBondContact CA-O 3.31Å; T42-L145 WeakPolarHBondContact CB-O 3.48Å; T42-L146 HydrophobicContact CG2-CD2 4.17Å
43	T	93.7	Very high	93.5	Very high	34 Å²	34	44.2 Å²	44.2	21%	0.209	28%	0.276	C	S	.	.			trans	-64.8	139.6	177.5	-60.3	0	0	0	0	111.2	K46 N113 H144 L145	T43-K46 HydrophobicContact CG2-CG 4.25Å; T43-N113 PolarHBondContact O-ND2 3Å; T43-H144 PolarHBondContact OG1-O 3.45Å; T43-L145 PolarHBondContact N-O 3.34Å
44	T	90.8	Very high	93.4	Very high	111 Å²	111	42.8 Å²	42.8	68%	0.681	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	143.3	178.7	-48.7	0	0	0	0	112.1	K46 N113	T44-K46 VanDerWaalsContact C-N 3.27Å; T44-K46 PolarHBondContact O-N 2.9Å; T44-N113 WeakPolarHBondContact CA-ND2 3.45Å
45	G	87	Confident	93.4	Very high	78 Å²	78	39.7 Å²	39.7	80%	0.804	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	0.7	176.7	0	0	0	0	0	115.6
46	K	89	Confident	93.4	Very high	95 Å²	95	39.1 Å²	39.1	41%	0.413	23%	0.229	S	C	.	.	S	Bend	trans	-89.6	150	176.6	-58.4	-63.1	-175.6	175.5	0	111.6	T43 T44 A48 L145	T43-K46 HydrophobicContact CG2-CG 4.25Å; T44-K46 VanDerWaalsContact C-N 3.27Å; T44-K46 PolarHBondContact O-N 2.9Å; K46-A48 PolarHBondContact O-N 3.47Å; K46-L145 HydrophobicContact CB-CD2 4.23Å; K46-L145 HydrophobicContact CD-CD2 3.71Å; K46-L145 HydrophobicContact CG-CD2 3.72Å
47	K	90.3	Very high	93.3	Very high	141 Å²	141	43.1 Å²	43.1	61%	0.613	25%	0.248	S	C	*	.			trans	-68.6	128.5	178	-67.9	-177.1	179.5	-180	0	109.5	S49 Q50 C51	K47-S49 PolarHBondContact O-N 3.36Å; K47-Q50 HydrophobicContact CB-CB 4.41Å; K47-Q50 HydrophobicContact CB-CG 4.09Å; K47-Q50 PolarHBondContact O-N 2.93Å; K47-Q50 VanDerWaalsContact O-N 3.07Å; K47-C51 PolarHBondContact O-N 3.47Å
48	A	89.6	Confident	93.2	Very high	63 Å²	63	43.6 Å²	43.6	52%	0.521	25%	0.25	S	S	.	.	H	α-helix	trans	-56.6	-36.1	-179.4	0	0	0	0	0	112.7	M27 K46 C51 A52	M27-A48 HydrophobicContact CE-CB 4.23Å; K46-A48 PolarHBondContact O-N 3.47Å; A48-C51 PolarHBondContact O-N 3.12Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.94Å
49	S	90.3	Very high	93.1	Very high	32 Å²	32	43.6 Å²	43.6	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-42.4	177.1	62.9	0	0	0	0	112.6	K47 A52 E53	K47-S49 PolarHBondContact O-N 3.36Å; S49-A52 PolarHBondContact O-N 3.2Å; S49-E53 WeakPolarHBondContact O-CB 3.5Å; S49-E53 VanDerWaalsContact O-CG 3.32Å; S49-E53 WeakPolarHBondContact O-CG 3.41Å; S49-E53 PolarHBondContact O-N 3.35Å
50	Q	93.3	Very high	92.9	Very high	91 Å²	91	45.9 Å²	45.9	43%	0.425	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.7	-68.1	177.2	-35	0	0	111.2	K47 A52 E53 E54 L145	K47-Q50 HydrophobicContact CB-CB 4.41Å; K47-Q50 HydrophobicContact CB-CG 4.09Å; K47-Q50 PolarHBondContact O-N 2.93Å; K47-Q50 VanDerWaalsContact O-N 3.07Å; Q50-A52 VanDerWaalsContact C-N 3.31Å; Q50-A52 PolarHBondContact O-N 3.37Å; Q50-E53 PolarHBondContact O-N 2.74Å; Q50-E54 PolarHBondContact O-N 3.24Å; Q50-L145 HydrophobicContact CB-CD1 4.13Å
51	C	94.7	Very high	92.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-38.4	175.2	-58.3	0	0	0	0	111.9	T42 K47 A48 A55 L115 L146	T42-C51 HydrophobicContact CG2-CB 3.63Å; K47-C51 PolarHBondContact O-N 3.47Å; A48-C51 PolarHBondContact O-N 3.12Å; C51-A55 VanDerWaalsContact O-CB 3.28Å; C51-A55 WeakPolarHBondContact O-CB 3.32Å; C51-A55 PolarHBondContact O-N 2.93Å; C51-L115 HydrophobicContact CB-CD2 3.7Å; C51-L146 HydrophobicContact CB-CD2 4.28Å
52	A	93.5	Very high	92.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-44.7	178.1	0	0	0	0	0	112	M27 A48 S49 Q50 E54 A55 I56 C106 L115	M27-A52 HydrophobicContact CE-CB 3.63Å; M27-A52 HydrophobicContact SD-CB 4.07Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.94Å; S49-A52 PolarHBondContact O-N 3.2Å; Q50-A52 VanDerWaalsContact C-N 3.31Å; Q50-A52 PolarHBondContact O-N 3.37Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 2.98Å; A52-A55 PolarHBondContact O-N 2.93Å; A52-I56 WeakPolarHBondContact O-CB 3.22Å; A52-I56 VanDerWaalsContact O-CG1 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 2.98Å; A52-C106 HydrophobicContact CB-CB 4.22Å; A52-L115 HydrophobicContact CB-CD2 4.24Å
53	E	93.2	Very high	92.2	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-48	174.6	-75.3	167.6	-151.1	0	0	110.7	S49 Q50 I56 L57	S49-E53 WeakPolarHBondContact O-CB 3.5Å; S49-E53 VanDerWaalsContact O-CG 3.32Å; S49-E53 WeakPolarHBondContact O-CG 3.41Å; S49-E53 PolarHBondContact O-N 3.35Å; Q50-E53 PolarHBondContact O-N 2.74Å; E53-I56 PolarHBondContact O-N 3.09Å; E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.36Å; E53-L57 PolarHBondContact O-N 2.95Å
54	E	94.5	Very high	91.6	Very high	59 Å²	59	51.8 Å²	51.8	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-67.2	-40.1	179.2	-170.8	168.5	177.3	0	0	112.8	Q50 A52 I56 L57 L58 S143 L145 L146	Q50-E54 PolarHBondContact O-N 3.24Å; A52-E54 VanDerWaalsContact C-N 3.34Å; A52-E54 PolarHBondContact O-N 2.98Å; E54-I56 VanDerWaalsContact C-N 3.35Å; E54-I56 PolarHBondContact O-N 2.93Å; E54-L57 PolarHBondContact O-N 3.36Å; E54-L58 WeakPolarHBondContact O-CB 3.38Å; E54-L58 PolarHBondContact O-N 3.23Å; E54-S143 WeakPolarHBondContact OE1-CB 3.48Å; E54-S143 PolarHBondContact OE1-OG 3.14Å; E54-S143 PolarHBondContact OE2-OG 2.84Å; E54-L145 VanDerWaalsContact OE2-CB 3.31Å; E54-L145 WeakPolarHBondContact OE2-CB 3.34Å; E54-L145 WeakPolarHBondContact OE2-CD1 3.34Å; E54-L145 WeakPolarHBondContact OE2-CG 3.39Å; E54-L146 HydrophobicContact CG-CD1 4.46Å
55	A	95.6	Very high	90.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-41	175.9	0	0	0	0	0	111.9	F40 C51 A52 L58 V59 L115 I117 L146	F40-A55 HydrophobicContact CD1-CB 4.44Å; F40-A55 HydrophobicContact CD2-CB 4.14Å; F40-A55 HydrophobicContact CE1-CB 4.31Å; F40-A55 HydrophobicContact CE2-CB 4.02Å; F40-A55 HydrophobicContact CG-CB 4.35Å; F40-A55 HydrophobicContact CZ-CB 4.11Å; C51-A55 VanDerWaalsContact O-CB 3.28Å; C51-A55 WeakPolarHBondContact O-CB 3.32Å; C51-A55 PolarHBondContact O-N 2.93Å; A52-A55 PolarHBondContact O-N 2.93Å; A55-L58 PolarHBondContact O-N 3.39Å; A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.27Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 2.94Å; A55-L115 HydrophobicContact CB-CD1 3.78Å; A55-I117 HydrophobicContact CB-CD1 4.1Å; A55-I117 HydrophobicContact CB-CG1 3.87Å; A55-L146 HydrophobicContact CB-CD1 4.05Å; A55-L146 HydrophobicContact CB-CD2 4.11Å
56	I	93.7	Very high	88.8	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.077	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-46.5	175.7	-71.8	168.4	0	0	0	110.5	T25 A52 E53 E54 L58 V59 K60 C106 I117	T25-I56 HydrophobicContact CG2-CD1 3.6Å; A52-I56 WeakPolarHBondContact O-CB 3.22Å; A52-I56 VanDerWaalsContact O-CG1 3.3Å; A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 2.98Å; E53-I56 PolarHBondContact O-N 3.09Å; E54-I56 VanDerWaalsContact C-N 3.35Å; E54-I56 PolarHBondContact O-N 2.93Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.43Å; I56-V59 PolarHBondContact O-N 2.95Å; I56-K60 HydrophobicContact CG2-CD 3.89Å; I56-K60 HydrophobicContact CG2-CG 4.19Å; I56-K60 WeakPolarHBondContact O-CB 3.24Å; I56-K60 VanDerWaalsContact O-CG 3.32Å; I56-K60 WeakPolarHBondContact O-CG 3.2Å; I56-K60 PolarHBondContact O-N 3.47Å; I56-C106 HydrophobicContact CD1-CB 4.03Å; I56-I117 HydrophobicContact CD1-CD1 4.46Å; I56-I117 HydrophobicContact CG1-CD1 3.7Å
57	L	93	Very high	86.8	Confident	114 Å²	114	51.5 Å²	51.5	60%	0.597	26%	0.26	S	S	*	.	H	α-helix	trans	-60.1	-45.3	178.8	-73.1	170.5	0	0	0	111.5	E53 E54 V59 K60 E61	E53-L57 VanDerWaalsContact O-CG 3.31Å; E53-L57 WeakPolarHBondContact O-CG 3.36Å; E53-L57 PolarHBondContact O-N 2.95Å; E54-L57 PolarHBondContact O-N 3.36Å; L57-V59 PolarHBondContact O-N 3.34Å; L57-K60 PolarHBondContact O-N 2.86Å; L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.48Å
58	L	94.9	Very high	84.3	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-49.5	175.8	177	70.3	0	0	0	111.8	F40 E54 A55 I56 E61 Y62 I131 L146 L149 W254	F40-L58 HydrophobicContact CE1-CD2 4.03Å; F40-L58 HydrophobicContact CZ-CD2 4.39Å; E54-L58 WeakPolarHBondContact O-CB 3.38Å; E54-L58 PolarHBondContact O-N 3.23Å; A55-L58 PolarHBondContact O-N 3.39Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.43Å; L58-E61 WeakPolarHBondContact O-CB 3.33Å; L58-E61 PolarHBondContact O-N 3Å; L58-Y62 HydrophobicContact CD1-CD2 4.13Å; L58-Y62 HydrophobicContact CD1-CE2 3.95Å; L58-Y62 WeakPolarHBondContact O-CD2 3.25Å; L58-Y62 PolarHBondContact O-N 2.82Å; L58-I131 HydrophobicContact CD1-CG2 4.43Å; L58-I131 HydrophobicContact CD2-CD1 4.24Å; L58-I131 HydrophobicContact CG-CD1 4.16Å; L58-L146 HydrophobicContact CD2-CD1 4.07Å; L58-L149 HydrophobicContact CD2-CD2 3.9Å; L58-W254 HydrophobicContact CD1-CH2 3.85Å; L58-W254 HydrophobicContact CD1-CZ3 3.91Å; L58-W254 HydrophobicContact CD2-CH2 3.26Å; L58-W254 HydrophobicContact CD2-CZ2 4.12Å; L58-W254 HydrophobicContact CD2-CZ3 3.65Å; L58-W254 HydrophobicContact CG-CH2 4.16Å; L58-W254 HydrophobicContact CG-CZ3 4.43Å
59	V	94.5	Very high	81.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-42.6	-178.7	172.4	0	0	0	0	110.6	F40 A55 I56 L57 E61 Y62 L63 L104 I117 I119 L127	F40-V59 HydrophobicContact CE2-CG2 4.23Å; F40-V59 HydrophobicContact CZ-CG2 3.91Å; A55-V59 WeakPolarHBondContact O-CB 3.36Å; A55-V59 VanDerWaalsContact O-CG2 3.27Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 2.94Å; I56-V59 PolarHBondContact O-N 2.95Å; L57-V59 PolarHBondContact O-N 3.34Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 2.9Å; V59-Y62 PolarHBondContact O-N 3.23Å; V59-L63 HydrophobicContact CG1-CD1 3.68Å; V59-L63 HydrophobicContact CG1-CG 4.33Å; V59-L63 VanDerWaalsContact O-CG 3.28Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.2Å; V59-L63 VanDerWaalsContact O-N 3.11Å; V59-L104 HydrophobicContact CG1-CD1 4.36Å; V59-L104 HydrophobicContact CG1-CD2 3.56Å; V59-I117 HydrophobicContact CB-CG2 4.4Å; V59-I117 HydrophobicContact CG1-CG2 4.33Å; V59-I117 HydrophobicContact CG2-CG2 4.24Å; V59-I119 HydrophobicContact CG1-CD1 3.63Å; V59-I119 HydrophobicContact CG1-CG1 3.96Å; V59-L127 HydrophobicContact CG1-CD1 4.13Å; V59-L127 HydrophobicContact CG2-CD2 4.37Å
60	K	91.7	Very high	78.9	Confident	50 Å²	50	59.2 Å²	59.2	22%	0.217	30%	0.302	C	S	.	.	H	α-helix	trans	-55.4	-48.9	175.2	-80.8	-178.8	174.6	-172.5	0	111.2	I56 L57 Y62 L63 V64 E101 L104	I56-K60 HydrophobicContact CG2-CD 3.89Å; I56-K60 HydrophobicContact CG2-CG 4.19Å; I56-K60 WeakPolarHBondContact O-CB 3.24Å; I56-K60 VanDerWaalsContact O-CG 3.32Å; I56-K60 WeakPolarHBondContact O-CG 3.2Å; I56-K60 PolarHBondContact O-N 3.47Å; L57-K60 PolarHBondContact O-N 2.86Å; K60-Y62 VanDerWaalsContact C-N 3.32Å; K60-Y62 PolarHBondContact O-N 3.27Å; K60-L63 PolarHBondContact O-N 3.45Å; K60-L63 VanDerWaalsContact O-N 3.1Å; K60-V64 WeakPolarHBondContact O-CG2 3.42Å; K60-V64 PolarHBondContact O-N 2.78Å; K60-E101 IonicContact NZ-OE1 2.7Å; K60-E101 PolarHBondContact NZ-OE1 3.23Å; K60-L104 HydrophobicContact CB-CD1 4.35Å; K60-L104 HydrophobicContact CG-CD1 3.43Å; K60-L104 VanDerWaalsContact CG-CD1 3.43Å
61	E	92	Very high	75.8	Confident	81 Å²	81	64.2 Å²	64.2	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-55	-46.8	-179.7	-159.5	-165.9	154.4	0	0	112.1	L57 L58 V59 L63 N65 R140	L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.48Å; L58-E61 WeakPolarHBondContact O-CB 3.33Å; L58-E61 PolarHBondContact O-N 3Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 2.9Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 3.07Å; E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact O-ND2 3.36Å; E61-R140 IonicContact OE1-CZ 3.73Å; E61-R140 IonicContact OE1-NH2 2.62Å; E61-R140 PolarHBondContact OE1-NH2 3.42Å; E61-R140 IonicContact OE2-CZ 3.26Å; E61-R140 VanDerWaalsContact OE2-CZ 3.26Å; E61-R140 IonicContact OE2-NH1 2.91Å; E61-R140 PolarHBondContact OE2-NH1 3.48Å; E61-R140 IonicContact OE2-NH2 2.84Å; E61-R140 PolarHBondContact OE2-NH2 2.96Å
62	Y	92.4	Very high	72.8	Confident	6 Å²	6	68 Å²	68	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-78	-11	-178.6	-83.8	-97.4	0	0	0	114.7	L58 V59 K60 R130 I131 D134 R140	L58-Y62 HydrophobicContact CD1-CD2 4.13Å; L58-Y62 HydrophobicContact CD1-CE2 3.95Å; L58-Y62 WeakPolarHBondContact O-CD2 3.25Å; L58-Y62 PolarHBondContact O-N 2.82Å; V59-Y62 PolarHBondContact O-N 3.23Å; K60-Y62 VanDerWaalsContact C-N 3.32Å; K60-Y62 PolarHBondContact O-N 3.27Å; Y62-R130 HydrophobicContact CD1-CB 4.14Å; Y62-R130 HydrophobicContact CE1-CB 4.25Å; Y62-R130 PolarHBondContact O-NH1 2.98Å; Y62-R130 PolarHBondContact O-NH2 3.07Å; Y62-I131 HydrophobicContact CD1-CB 4.49Å; Y62-I131 HydrophobicContact CD1-CD1 4.48Å; Y62-I131 HydrophobicContact CD1-CG1 3.47Å; Y62-I131 VanDerWaalsContact CD1-CG1 3.47Å; Y62-I131 HydrophobicContact CD2-CD1 4.11Å; Y62-I131 HydrophobicContact CD2-CG1 3.55Å; Y62-I131 HydrophobicContact CE1-CB 4.24Å; Y62-I131 HydrophobicContact CE1-CG1 3.62Å; Y62-I131 HydrophobicContact CE2-CG1 3.66Å; Y62-I131 HydrophobicContact CG-CD1 4.06Å; Y62-I131 HydrophobicContact CG-CG1 3.44Å; Y62-I131 VanDerWaalsContact CG-CG1 3.44Å; Y62-D134 WeakPolarHBondContact CE1-OD2 3.48Å; Y62-D134 VanDerWaalsContact CZ-OD2 3.27Å; Y62-D134 WeakPolarHBondContact OH-CB 3.46Å; Y62-D134 PolarHBondContact OH-OD2 3.36Å; Y62-R140 VanDerWaalsContact CE2-CZ 3.48Å; Y62-R140 VanDerWaalsContact CE2-NE 3.32Å; Y62-R140 PolarHBondContact OH-NE 3.3Å
63	L	89.4	Confident	69.9	Low	22 Å²	22	71.3 Å²	71.3	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-90.1	-40.4	172.9	-72.2	172.1	0	0	0	111.7	V59 K60 E61 N65 R66 L104 I119 A122 L127	V59-L63 HydrophobicContact CG1-CD1 3.68Å; V59-L63 HydrophobicContact CG1-CG 4.33Å; V59-L63 VanDerWaalsContact O-CG 3.28Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.2Å; V59-L63 VanDerWaalsContact O-N 3.11Å; K60-L63 PolarHBondContact O-N 3.45Å; K60-L63 VanDerWaalsContact O-N 3.1Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 3.07Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.34Å; L63-R66 PolarHBondContact O-N 2.8Å; L63-L104 HydrophobicContact CD1-CD1 3.65Å; L63-L104 HydrophobicContact CD1-CD2 3.63Å; L63-L104 HydrophobicContact CD1-CG 4.06Å; L63-I119 HydrophobicContact CD1-CG2 4.21Å; L63-I119 HydrophobicContact CD2-CG2 4.42Å; L63-A122 HydrophobicContact CD2-CB 3.45Å; L63-A122 VanDerWaalsContact CD2-CB 3.45Å; L63-L127 HydrophobicContact CD1-CD1 4.34Å; L63-L127 HydrophobicContact CD2-CD1 3.57Å; L63-L127 HydrophobicContact CG-CD1 3.61Å
64	V	79.9	Confident	67.1	Low	67 Å²	67	76.8 Å²	76.8	41%	0.406	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.4	174.5	0	0	0	0	110.3	K60 R66 I67	K60-V64 WeakPolarHBondContact O-CG2 3.42Å; K60-V64 PolarHBondContact O-N 2.78Å; V64-R66 PolarHBondContact O-N 2.97Å; V64-I67 VanDerWaalsContact O-CB 3.32Å; V64-I67 WeakPolarHBondContact O-CB 3.47Å; V64-I67 PolarHBondContact O-N 3.48Å
65	N	64.5	Low	64.1	Low	105 Å²	105	83.4 Å²	83.4	56%	0.561	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.7	-179.8	-70.8	-18.7	0	0	0	115.2	E61 L63	E61-N65 PolarHBondContact O-N 3.01Å; E61-N65 PolarHBondContact O-ND2 3.36Å; L63-N65 VanDerWaalsContact C-N 3.31Å; L63-N65 PolarHBondContact O-N 3.34Å
66	R	55.7	Low	61.1	Low	116 Å²	116	91.5 Å²	91.5	44%	0.438	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.1	168.7	-72.7	-162.1	-173.8	-125.6	4.9	112.6	L63 V64 K68 D126	L63-R66 PolarHBondContact O-N 2.8Å; V64-R66 PolarHBondContact O-N 2.97Å; R66-K68 PolarHBondContact O-N 3.03Å; R66-K68 VanDerWaalsContact O-N 3.11Å; R66-D126 IonicContact CZ-OD2 3.11Å; R66-D126 IonicContact NE-OD2 2.62Å; R66-D126 IonicContact NH1-OD2 2.97Å; R66-D126 PolarHBondContact NH1-OD2 3.29Å; R66-D126 IonicContact NH2-OD2 3.18Å; R66-D126 PolarHBondContact NH2-OD2 3.06Å
67	I	46	Very low	58.4	Low	58 Å²	58	100.7 Å²	100.7	30%	0.297	51%	0.507	S	S	.	.	S	Bend	trans	-81.3	91.9	176.2	-54.2	163.3	0	0	0	105.3	V64 P69 R96	V64-I67 VanDerWaalsContact O-CB 3.32Å; V64-I67 WeakPolarHBondContact O-CB 3.47Å; V64-I67 PolarHBondContact O-N 3.48Å; I67-P69 WeakPolarHBondContact O-CD 3.48Å; I67-P69 VanDerWaalsContact O-N 3.15Å; I67-R96 VanDerWaalsContact CG2-CZ 3.43Å; I67-R96 VanDerWaalsContact CG2-NH1 3.3Å
68	K	37.2	Very low	55.7	Low	186 Å²	186	98.9 Å²	98.9	81%	0.809	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-50.8	125.5	165.9	-77.5	-174.3	175.9	-173.8	0	107.3	R66 S70	R66-K68 PolarHBondContact O-N 3.03Å; R66-K68 VanDerWaalsContact O-N 3.11Å; K68-S70 PolarHBondContact O-N 3.19Å; K68-S70 VanDerWaalsContact O-N 3.15Å
69	P	33.9	Very low	53.3	Low	115 Å²	115	104.9 Å²	104.9	75%	0.747	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-59.1	122.7	161.8	-7.9	22.5	0	0	0	104.9	I67 E71	I67-P69 WeakPolarHBondContact O-CD 3.48Å; I67-P69 VanDerWaalsContact O-N 3.15Å; P69-E71 PolarHBondContact O-N 3.28Å
70	S	32.6	Very low	51.5	Low	96 Å²	96	109.1 Å²	109.1	67%	0.671	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-51.3	118.3	169.1	49.9	0	0	0	0	107.8	K68 S72	K68-S70 PolarHBondContact O-N 3.19Å; K68-S70 VanDerWaalsContact O-N 3.15Å; S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 PolarHBondContact O-N 3.41Å
71	E	29.8	Very low	49.7	Very low	197 Å²	197	110.1 Å²	110.1	92%	0.921	59%	0.594	S	S	*	*	S	Bend	trans	-61	88.8	173.9	-72.9	178.9	160.5	0	0	109.5	P69	P69-E71 PolarHBondContact O-N 3.28Å
72	S	31.6	Very low	48.1	Very low	78 Å²	78	109.7 Å²	109.7	55%	0.545	59%	0.592	S	S	.	*			trans	-175.3	105.1	155.9	56.3	0	0	0	0	109.1	S70	S70-S72 VanDerWaalsContact C-N 3.28Å; S70-S72 PolarHBondContact O-N 3.41Å
73	T	30.9	Very low	46.6	Very low	71 Å²	71	113.6 Å²	113.6	44%	0.436	62%	0.616	S	S	.	*				-166.3	94.1	125.5	26.4	0	0	0	0	107.9	F75 R89	T73-F75 PolarHBondContact O-N 3.35Å; T73-R89 PolarHBondContact OG1-NH1 3.11Å
74	L	34.9	Very low	45.7	Very low	168 Å²	168	115.5 Å²	115.5	88%	0.88	63%	0.631	S	S	*	*			trans	-55.4	126.3	147.2	-75.4	159	0	0	0	106.5	E76	L74-E76 PolarHBondContact O-N 3.24Å
75	F	31.7	Very low	45.5	Very low	197 Å²	197	117.3 Å²	117.3	86%	0.864	64%	0.635	S	S	*	*			trans	-71.4	94.9	175.1	-79.2	-92.5	0	0	0	108.9	T73	T73-F75 PolarHBondContact O-N 3.35Å
76	E	33.5	Very low	46	Very low	171 Å²	171	115.1 Å²	115.1	80%	0.799	63%	0.628	S	S	*	*			trans	-106.7	151.6	155.7	-77.8	-171.2	151.8	0	0	110.2	L74 A78	L74-E76 PolarHBondContact O-N 3.24Å; E76-A78 PolarHBondContact O-N 2.87Å
77	K	36.2	Very low	46.7	Very low	208 Å²	208	115.2 Å²	115.2	90%	0.904	64%	0.635	S	S	*	*			trans	-43.5	124.7	-159.3	-67.2	170.9	176.5	174.7	0	114.1	D79	K77-D79 PolarHBondContact O-N 2.91Å
78	A	37.2	Very low	48.3	Very low	75 Å²	75	118 Å²	118	62%	0.62	65%	0.645	S	S	*	*			trans	-76.2	111.8	-179.9	0	0	0	0	0	112.4	E76 Q82	E76-A78 PolarHBondContact O-N 2.87Å; A78-Q82 HydrophobicContact CB-CB 3.69Å; A78-Q82 HydrophobicContact CB-CG 3.76Å
79	D	44.8	Very low	50.2	Low	135 Å²	135	114.3 Å²	114.3	72%	0.722	63%	0.626	S	S	*	*			trans	-73.9	162.1	153.7	-97.1	-40.4	0	0	0	110.6	K77 A81 Q82	K77-D79 PolarHBondContact O-N 2.91Å; D79-A81 PolarHBondContact O-N 2.85Å; D79-Q82 VanDerWaalsContact O-CB 3.23Å; D79-Q82 WeakPolarHBondContact O-CB 3.4Å; D79-Q82 PolarHBondContact O-N 2.97Å
80	A	55	Low	52	Low	90 Å²	90	112.1 Å²	112.1	74%	0.744	61%	0.612	S	S	*	*	H	α-helix	trans	-52.5	-23	-178.3	0	0	0	0	0	114.8	Q82 T83	A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 3.05Å; A80-T83 PolarHBondContact O-N 2.99Å
81	A	55.6	Low	53.8	Low	71 Å²	71	111.5 Å²	111.5	59%	0.587	61%	0.605	S	S	*	*	H	α-helix	trans	-63.7	-33.8	172.6	0	0	0	0	0	113.5	D79 T83 S84 E85	D79-A81 PolarHBondContact O-N 2.85Å; A81-T83 PolarHBondContact O-N 3.49Å; A81-S84 PolarHBondContact O-N 2.79Å; A81-E85 PolarHBondContact O-N 2.86Å
82	Q	56.9	Low	55.9	Low	72 Å²	72	108 Å²	108	34%	0.336	59%	0.588	S	S	.	*	H	α-helix	trans	-63.7	-28.3	-179.9	-163.5	82.2	8.1	0	0	112.5	A78 D79 A80 S86	A78-Q82 HydrophobicContact CB-CB 3.69Å; A78-Q82 HydrophobicContact CB-CG 3.76Å; D79-Q82 VanDerWaalsContact O-CB 3.23Å; D79-Q82 WeakPolarHBondContact O-CB 3.4Å; D79-Q82 PolarHBondContact O-N 2.97Å; A80-Q82 VanDerWaalsContact C-N 3.34Å; A80-Q82 PolarHBondContact O-N 3.05Å; Q82-S86 WeakPolarHBondContact O-CB 3.44Å; Q82-S86 PolarHBondContact O-N 2.95Å; Q82-S86 PolarHBondContact O-OG 3Å
83	T	60.9	Low	57.8	Low	87 Å²	87	110.3 Å²	110.3	53%	0.534	59%	0.591	S	S	.	*	H	α-helix	trans	-71.4	-38.9	179.4	-51.1	0	0	0	0	111	A80 A81 M87	A80-T83 PolarHBondContact O-N 2.99Å; A81-T83 PolarHBondContact O-N 3.49Å; T83-M87 HydrophobicContact CG2-CE 4.31Å; T83-M87 WeakPolarHBondContact O-CB 3.24Å; T83-M87 PolarHBondContact O-N 3.25Å
84	S	70.8	Confident	59.3	Low	62 Å²	62	112 Å²	112	43%	0.434	60%	0.596	S	S	.	*	H	α-helix	trans	-67.2	-41.7	175.1	-174.7	0	0	0	0	111.4	A81 M87 K88	A81-S84 PolarHBondContact O-N 2.79Å; S84-M87 PolarHBondContact O-N 3.34Å; S84-K88 WeakPolarHBondContact O-CG 3.18Å; S84-K88 PolarHBondContact O-N 3.22Å
85	E	76.9	Confident	60.5	Low	105 Å²	105	107 Å²	107	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-44.3	176	-147.6	85.5	-143.6	0	0	111.8	A81 M87 K88 R89	A81-E85 PolarHBondContact O-N 2.86Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 3.2Å; E85-K88 PolarHBondContact O-N 3.47Å; E85-R89 WeakPolarHBondContact O-CG 3.27Å; E85-R89 PolarHBondContact O-N 3.31Å
86	S	73.3	Confident	61.9	Low	59 Å²	59	103.4 Å²	103.4	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-65.6	-37.5	177.7	-61.1	0	0	0	0	111.9	Q82 R89 C90	Q82-S86 WeakPolarHBondContact O-CB 3.44Å; Q82-S86 PolarHBondContact O-N 2.95Å; Q82-S86 PolarHBondContact O-OG 3Å; S86-R89 PolarHBondContact O-N 3.2Å; S86-C90 PolarHBondContact O-N 2.83Å
87	M	71.6	Confident	63.1	Low	118 Å²	118	101 Å²	101	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-69.7	-40	177.3	-152.2	178.8	-55.9	0	0	111.7	T83 S84 E85 C90 V91	T83-M87 HydrophobicContact CG2-CE 4.31Å; T83-M87 WeakPolarHBondContact O-CB 3.24Å; T83-M87 PolarHBondContact O-N 3.25Å; S84-M87 PolarHBondContact O-N 3.34Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 3.2Å; M87-C90 PolarHBondContact O-N 3.24Å; M87-V91 WeakPolarHBondContact O-CG2 3.33Å; M87-V91 PolarHBondContact O-N 2.92Å
88	K	78.1	Confident	64	Low	118 Å²	118	97.1 Å²	97.1	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-60.5	-44.7	171.9	-74	177	-176.2	179	0	111.6	S84 E85 C90 V91 E92	S84-K88 WeakPolarHBondContact O-CG 3.18Å; S84-K88 PolarHBondContact O-N 3.22Å; E85-K88 PolarHBondContact O-N 3.47Å; K88-C90 PolarHBondContact O-N 2.68Å; K88-V91 PolarHBondContact O-N 2.81Å; K88-E92 WeakPolarHBondContact O-CB 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.87Å
89	R	77.6	Confident	64.8	Low	108 Å²	108	97 Å²	97	41%	0.408	52%	0.521	S	S	.	.	H	α-helix	trans	-58.6	-45.8	174.4	-74.5	-177.1	-172.7	-178.3	1	111.9	T73 E85 S86 V91 E92 E93	T73-R89 PolarHBondContact OG1-NH1 3.11Å; E85-R89 WeakPolarHBondContact O-CG 3.27Å; E85-R89 PolarHBondContact O-N 3.31Å; S86-R89 PolarHBondContact O-N 3.2Å; R89-V91 PolarHBondContact O-N 2.9Å; R89-E92 PolarHBondContact O-N 3.19Å; R89-E93 PolarHBondContact O-N 3.43Å
90	C	72.3	Confident	65.3	Low	68 Å²	68	92 Å²	92	46%	0.459	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-42.6	175	-81.4	0	0	0	0	112.7	S86 M87 K88 E92 E93 L94	S86-C90 PolarHBondContact O-N 2.83Å; M87-C90 PolarHBondContact O-N 3.24Å; K88-C90 PolarHBondContact O-N 2.68Å; C90-E92 VanDerWaalsContact C-N 3.35Å; C90-E93 PolarHBondContact O-N 2.83Å; C90-L94 WeakPolarHBondContact O-CB 3.5Å; C90-L94 VanDerWaalsContact O-CG 3.29Å; C90-L94 WeakPolarHBondContact O-CG 3.27Å; C90-L94 PolarHBondContact O-N 2.77Å
91	V	71.2	Confident	65.4	Low	84 Å²	84	92.9 Å²	92.9	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-40.2	177.7	171.4	0	0	0	0	111	M87 K88 R89 S95	M87-V91 WeakPolarHBondContact O-CG2 3.33Å; M87-V91 PolarHBondContact O-N 2.92Å; K88-V91 PolarHBondContact O-N 2.81Å; R89-V91 PolarHBondContact O-N 2.9Å; V91-S95 VanDerWaalsContact O-CB 3.26Å; V91-S95 WeakPolarHBondContact O-CB 2.98Å; V91-S95 PolarHBondContact O-N 2.96Å; V91-S95 PolarHBondContact O-OG 2.81Å
92	E	73.8	Confident	65.5	Low	123 Å²	123	96.4 Å²	96.4	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-65.8	-42.8	175	-75.9	178.3	-177.1	0	0	112	K88 R89 C90 S95 R96	K88-E92 WeakPolarHBondContact O-CB 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.87Å; R89-E92 PolarHBondContact O-N 3.19Å; C90-E92 VanDerWaalsContact C-N 3.35Å; E92-S95 PolarHBondContact O-N 2.87Å; E92-R96 WeakPolarHBondContact O-CB 3.1Å; E92-R96 VanDerWaalsContact O-CG 3.22Å; E92-R96 WeakPolarHBondContact O-CG 3.49Å; E92-R96 PolarHBondContact O-N 2.9Å
93	E	70	Confident	66.4	Low	127 Å²	127	95 Å²	95	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-59.5	-50.3	174.1	-80.5	-179.3	164.2	0	0	111.4	R89 C90 S95 R96 E97	R89-E93 PolarHBondContact O-N 3.43Å; C90-E93 PolarHBondContact O-N 2.83Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 2.99Å; E93-R96 WeakPolarHBondContact O-CB 3.33Å; E93-R96 PolarHBondContact O-N 2.92Å; E93-R96 VanDerWaalsContact O-N 3.14Å; E93-E97 WeakPolarHBondContact O-CG 3.47Å; E93-E97 PolarHBondContact O-N 2.97Å
94	L	62.2	Low	67.6	Low	106 Å²	106	91.4 Å²	91.4	56%	0.555	46%	0.458	S	S	*	.	H	α-helix	trans	-60.7	-39.3	176.8	-72.8	168.4	0	0	0	112.2	C90 R96 E97 H98	C90-L94 WeakPolarHBondContact O-CB 3.5Å; C90-L94 VanDerWaalsContact O-CG 3.29Å; C90-L94 WeakPolarHBondContact O-CG 3.27Å; C90-L94 PolarHBondContact O-N 2.77Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-E97 PolarHBondContact O-N 2.9Å; L94-H98 PolarHBondContact O-N 2.79Å
95	S	60.8	Low	68.4	Low	62 Å²	62	90.7 Å²	90.7	43%	0.434	45%	0.447	S	S	.	.	H	α-helix	trans	-66	-38.3	177.1	-60.2	0	0	0	0	111.6	V91 E92 E93 T99	V91-S95 VanDerWaalsContact O-CB 3.26Å; V91-S95 WeakPolarHBondContact O-CB 2.98Å; V91-S95 PolarHBondContact O-N 2.96Å; V91-S95 PolarHBondContact O-OG 2.81Å; E92-S95 PolarHBondContact O-N 2.87Å; E93-S95 VanDerWaalsContact C-N 3.3Å; E93-S95 PolarHBondContact O-N 2.99Å; S95-T99 WeakPolarHBondContact O-CB 3.17Å; S95-T99 PolarHBondContact O-N 3.02Å; S95-T99 PolarHBondContact O-OG1 2.86Å
96	R	61.3	Low	69.2	Low	123 Å²	123	85.9 Å²	85.9	46%	0.464	43%	0.426	S	S	.	.	H	α-helix	trans	-69.2	-40.4	175.3	-71.5	174.2	89.7	155.7	14.1	111.7	I67 E92 E93 L94 T99 N100	I67-R96 VanDerWaalsContact CG2-CZ 3.43Å; I67-R96 VanDerWaalsContact CG2-NH1 3.3Å; E92-R96 WeakPolarHBondContact O-CB 3.1Å; E92-R96 VanDerWaalsContact O-CG 3.22Å; E92-R96 WeakPolarHBondContact O-CG 3.49Å; E92-R96 PolarHBondContact O-N 2.9Å; E93-R96 WeakPolarHBondContact O-CB 3.33Å; E93-R96 PolarHBondContact O-N 2.92Å; E93-R96 VanDerWaalsContact O-N 3.14Å; L94-R96 VanDerWaalsContact C-N 3.35Å; R96-T99 PolarHBondContact O-N 2.79Å; R96-N100 WeakPolarHBondContact O-CB 3.37Å; R96-N100 PolarHBondContact O-N 2.88Å; R96-N100 PolarHBondContact O-ND2 3.24Å
97	E	58.1	Low	70.1	Confident	119 Å²	119	83.1 Å²	83.1	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-57.6	-50.3	173	-74	-175.3	161.7	0	0	110.9	E93 L94 T99 N100 E101	E93-E97 WeakPolarHBondContact O-CG 3.47Å; E93-E97 PolarHBondContact O-N 2.97Å; L94-E97 PolarHBondContact O-N 2.9Å; E97-T99 VanDerWaalsContact C-N 3.33Å; E97-T99 PolarHBondContact O-N 3.37Å; E97-N100 WeakPolarHBondContact O-CB 3.38Å; E97-N100 PolarHBondContact O-N 3.44Å; E97-N100 VanDerWaalsContact O-N 3.14Å; E97-E101 VanDerWaalsContact O-CG 3.28Å; E97-E101 WeakPolarHBondContact O-CG 3.35Å; E97-E101 PolarHBondContact O-N 2.97Å
98	H	54.6	Low	70.9	Confident	128 Å²	128	80.4 Å²	80.4	59%	0.593	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-41.7	178	-119.6	74.5	0	0	0	112.7	L94 N100 E101 Q102	L94-H98 PolarHBondContact O-N 2.79Å; H98-N100 VanDerWaalsContact C-N 3.34Å; H98-E101 PolarHBondContact O-N 3.44Å; H98-Q102 PolarHBondContact O-N 2.8Å
99	T	54.2	Low	71.6	Confident	72 Å²	72	75.2 Å²	75.2	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-66.4	-38	177.6	-51.8	0	0	0	0	111.1	S95 R96 E97 Q102 Q103	S95-T99 WeakPolarHBondContact O-CB 3.17Å; S95-T99 PolarHBondContact O-N 3.02Å; S95-T99 PolarHBondContact O-OG1 2.86Å; R96-T99 PolarHBondContact O-N 2.79Å; E97-T99 VanDerWaalsContact C-N 3.33Å; E97-T99 PolarHBondContact O-N 3.37Å; T99-Q102 PolarHBondContact O-N 2.92Å; T99-Q103 WeakPolarHBondContact O-CG 3.36Å; T99-Q103 PolarHBondContact O-N 3.23Å
100	N	56.2	Low	72.3	Confident	31 Å²	31	72 Å²	72	17%	0.166	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-34.2	176.2	-80.4	-26.1	0	0	0	112.6	R96 E97 H98 Q102 Q103 L104	R96-N100 WeakPolarHBondContact O-CB 3.37Å; R96-N100 PolarHBondContact O-N 2.88Å; R96-N100 PolarHBondContact O-ND2 3.24Å; E97-N100 WeakPolarHBondContact O-CB 3.38Å; E97-N100 PolarHBondContact O-N 3.44Å; E97-N100 VanDerWaalsContact O-N 3.14Å; H98-N100 VanDerWaalsContact C-N 3.34Å; N100-Q102 VanDerWaalsContact C-N 3.29Å; N100-Q102 PolarHBondContact O-N 2.71Å; N100-Q103 WeakPolarHBondContact O-CB 3.4Å; N100-Q103 PolarHBondContact O-N 3.22Å; N100-L104 PolarHBondContact O-N 3.46Å
101	E	56.2	Low	73.3	Confident	107 Å²	107	69.7 Å²	69.7	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-38.5	174.9	-59.6	-143.4	120.6	0	0	112	K60 E97 H98 Q103	K60-E101 IonicContact NZ-OE1 2.7Å; K60-E101 PolarHBondContact NZ-OE1 3.23Å; E97-E101 VanDerWaalsContact O-CG 3.28Å; E97-E101 WeakPolarHBondContact O-CG 3.35Å; E97-E101 PolarHBondContact O-N 2.97Å; H98-E101 PolarHBondContact O-N 3.44Å; E101-Q103 PolarHBondContact O-N 3.09Å
102	Q	59.3	Low	74.3	Confident	145 Å²	145	74.4 Å²	74.4	68%	0.678	37%	0.372	S	S	*	.	H	α-helix	trans	-70.2	-18	175.7	-67.5	-175.7	-4.4	0	0	113.1	H98 T99 N100 R120	H98-Q102 PolarHBondContact O-N 2.8Å; T99-Q102 PolarHBondContact O-N 2.92Å; N100-Q102 VanDerWaalsContact C-N 3.29Å; N100-Q102 PolarHBondContact O-N 2.71Å; Q102-R120 PolarHBondContact O-NH1 3.17Å
103	Q	74	Confident	75.3	Confident	44 Å²	44	71.2 Å²	71.2	21%	0.206	36%	0.359	C	S	.	.	H	α-helix	trans	-89.8	-13.5	-177.1	-70.2	177.6	20.8	0	0	114.2	T99 N100 E101 N121	T99-Q103 WeakPolarHBondContact O-CG 3.36Å; T99-Q103 PolarHBondContact O-N 3.23Å; N100-Q103 WeakPolarHBondContact O-CB 3.4Å; N100-Q103 PolarHBondContact O-N 3.22Å; E101-Q103 PolarHBondContact O-N 3.09Å; Q103-N121 PolarHBondContact NE2-ND2 3.32Å; Q103-N121 PolarHBondContact OE1-ND2 3Å; Q103-N121 VanDerWaalsContact OE1-ND2 3.11Å
104	L	86.9	Confident	76.5	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.058	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.5	-173	-67.1	165.3	0	0	0	110.8	V59 K60 L63 N100 I117 V118 I119	V59-L104 HydrophobicContact CG1-CD1 4.36Å; V59-L104 HydrophobicContact CG1-CD2 3.56Å; K60-L104 HydrophobicContact CB-CD1 4.35Å; K60-L104 HydrophobicContact CG-CD1 3.43Å; K60-L104 VanDerWaalsContact CG-CD1 3.43Å; L63-L104 HydrophobicContact CD1-CD1 3.65Å; L63-L104 HydrophobicContact CD1-CD2 3.63Å; L63-L104 HydrophobicContact CD1-CG 4.06Å; N100-L104 PolarHBondContact O-N 3.46Å; L104-I117 HydrophobicContact CD2-CG2 4.27Å; L104-V118 WeakPolarHBondContact CD2-O 3.48Å; L104-I119 HydrophobicContact CD2-CB 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.81Å; L104-I119 HydrophobicContact CD2-CG2 4.39Å
105	F	88.8	Confident	78	Confident	46 Å²	46	61.4 Å²	61.4	20%	0.202	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.1	175.4	57.5	-78.5	0	0	0	110.7	M35 V107 V118	M35-F105 HydrophobicContact CE-CE2 4.49Å; F105-V107 HydrophobicContact CD2-CG1 3.62Å; F105-V107 HydrophobicContact CE2-CG1 3.54Å; F105-V118 HydrophobicContact CD1-CB 4.16Å; F105-V118 HydrophobicContact CD2-CB 4.37Å; F105-V118 HydrophobicContact CD2-CG2 4.19Å; F105-V118 HydrophobicContact CE1-CB 3.71Å; F105-V118 HydrophobicContact CE1-CG1 3.68Å; F105-V118 HydrophobicContact CE1-CG2 4.29Å; F105-V118 HydrophobicContact CE2-CB 3.99Å; F105-V118 HydrophobicContact CE2-CG1 4.42Å; F105-V118 HydrophobicContact CE2-CG2 3.65Å; F105-V118 HydrophobicContact CG-CB 4.46Å; F105-V118 HydrophobicContact CZ-CB 3.64Å; F105-V118 HydrophobicContact CZ-CG1 3.63Å; F105-V118 HydrophobicContact CZ-CG2 3.71Å; F105-V118 PolarHBondContact O-N 3.22Å
106	C	92.3	Very high	79.7	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133	175.2	-172.2	0	0	0	0	109.6	M27 A52 I56 F116 I117	M27-C106 HydrophobicContact CG-CB 3.93Å; M27-C106 HydrophobicContact SD-CB 4.46Å; M27-C106 PolarHBondContact SD-SG 3.43Å; A52-C106 HydrophobicContact CB-CB 4.22Å; I56-C106 HydrophobicContact CD1-CB 4.03Å; C106-F116 WeakPolarHBondContact CA-O 3.37Å; C106-I117 HydrophobicContact CB-CD1 3.5Å
107	V	92.5	Very high	81.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.1	174.8	-60.4	0	0	0	0	110.4	Q29 L31 M35 F105 F116 V118	Q29-V107 HydrophobicContact CB-CG1 4.21Å; Q29-V107 CarbonylContact O-C 3.55Å; Q29-V107 VanDerWaalsContact O-CA 3.3Å; Q29-V107 WeakPolarHBondContact O-CA 3.34Å; Q29-V107 WeakPolarHBondContact O-CB 3.3Å; L31-V107 HydrophobicContact CB-CG2 4.17Å; L31-V107 HydrophobicContact CD1-CG2 4.28Å; M35-V107 HydrophobicContact CE-CG1 4.09Å; M35-V107 HydrophobicContact SD-CG1 4.31Å; M35-V107 HydrophobicContact SD-CG2 4.23Å; F105-V107 HydrophobicContact CD2-CG1 3.62Å; F105-V107 HydrophobicContact CE2-CG1 3.54Å; V107-F116 HydrophobicContact CG2-CB 3.68Å; V107-F116 HydrophobicContact CG2-CD1 3.74Å; V107-F116 HydrophobicContact CG2-CG 4.1Å; V107-F116 PolarHBondContact N-O 2.82Å; V107-V118 HydrophobicContact CG1-CG2 3.84Å; V107-V118 HydrophobicContact CG2-CG2 4.22Å
108	T	89.1	Confident	83.1	Confident	61 Å²	61	47.2 Å²	47.2	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.2	175.2	-179.5	0	0	0	0	110.4	Q29 P30 L31 G110	Q29-T108 PolarHBondContact O-N 2.99Å; P30-T108 CarbonylContact C-O 3.57Å; P30-T108 WeakPolarHBondContact CA-O 3.37Å; P30-T108 HydrophobicContact CB-CG2 4.37Å; L31-T108 PolarHBondContact N-O 2.78Å; T108-G110 PolarHBondContact OG1-N 2.81Å
109	T	93	Very high	84.9	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.055	22%	0.217	C	C	.	.			trans	-91.1	-13.8	176.1	65	0	0	0	0	112.5	L31 F39 V111 T114 F116 K235	L31-T109 HydrophobicContact CD2-CG2 4.42Å; F39-T109 HydrophobicContact CE2-CG2 4.37Å; T109-V111 PolarHBondContact O-N 3.44Å; T109-V111 PolarHBondContact OG1-N 3.15Å; T109-V111 PolarHBondContact OG1-O 2.94Å; T109-T114 HydrophobicContact CG2-CG2 3.9Å; T109-T114 WeakPolarHBondContact OG1-CG2 3.16Å; T109-T114 PolarHBondContact OG1-O 2.85Å; T109-F116 HydrophobicContact CG2-CB 3.97Å; T109-K235 WeakPolarHBondContact O-CD 3.16Å
110	G	91.4	Very high	86.4	Confident	41 Å²	41	44.8 Å²	44.8	42%	0.423	22%	0.223	S	C	.	.	S	Bend	trans	63.2	15	-169.9	0	0	0	0	0	114	T108	T108-G110 PolarHBondContact OG1-N 2.81Å
111	V	93.1	Very high	87.7	Confident	20 Å²	20	48.8 Å²	48.8	12%	0.121	24%	0.244	C	C	.	.	S	Bend	trans	-117.1	139.1	175.6	-179.2	0	0	0	0	108.7	T109 T114 R193 N194 V234 K235	T109-V111 PolarHBondContact O-N 3.44Å; T109-V111 PolarHBondContact OG1-N 3.15Å; T109-V111 PolarHBondContact OG1-O 2.94Å; V111-T114 HydrophobicContact CB-CG2 4.37Å; V111-R193 HydrophobicContact CG1-CB 4.01Å; V111-R193 HydrophobicContact CG2-CB 4.28Å; V111-N194 HydrophobicContact CG2-CB 4.21Å; V111-V234 HydrophobicContact CB-CG1 4.44Å; V111-V234 HydrophobicContact CG2-CG1 3.62Å; V111-K235 HydrophobicContact CG2-CD 4.42Å; V111-K235 HydrophobicContact CG2-CG 3.99Å
112	K	92.9	Very high	89.3	Confident	183 Å²	183	44.6 Å²	44.6	80%	0.796	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	145.7	178.1	-67.3	-176.3	179	178.4	0	110.5	T114	K112-T114 WeakPolarHBondContact O-CB 3.4Å; K112-T114 PolarHBondContact O-N 3.45Å; K112-T114 VanDerWaalsContact O-N 3.14Å; K112-T114 PolarHBondContact O-OG1 3.15Å
113	N	94.3	Very high	91	Very high	56 Å²	56	40.1 Å²	40.1	30%	0.299	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	33.4	172.9	-57	94.1	0	0	0	113.7	T41 T42 T43 T44	T41-N113 CarbonylContact C-O 3.57Å; T41-N113 WeakPolarHBondContact CA-O 3.49Å; T42-N113 PolarHBondContact N-O 3.28Å; T42-N113 VanDerWaalsContact OG1-CA 3.28Å; T42-N113 WeakPolarHBondContact OG1-CA 3.22Å; T42-N113 PolarHBondContact OG1-O 3.4Å; T43-N113 PolarHBondContact O-ND2 3Å; T44-N113 WeakPolarHBondContact CA-ND2 3.45Å
114	T	94.3	Very high	92	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	127.1	-169.3	-59.9	0	0	0	0	109.6	F39 F40 T109 V111 K112	F39-T114 HydrophobicContact CD2-CG2 4.02Å; F39-T114 HydrophobicContact CE1-CG2 3.92Å; F39-T114 HydrophobicContact CE2-CG2 3.04Å; F39-T114 HydrophobicContact CZ-CG2 3.01Å; F40-T114 WeakPolarHBondContact O-CA 2.88Å; T109-T114 HydrophobicContact CG2-CG2 3.9Å; T109-T114 WeakPolarHBondContact OG1-CG2 3.16Å; T109-T114 PolarHBondContact OG1-O 2.85Å; V111-T114 HydrophobicContact CB-CG2 4.37Å; K112-T114 WeakPolarHBondContact O-CB 3.4Å; K112-T114 PolarHBondContact O-N 3.45Å; K112-T114 VanDerWaalsContact O-N 3.14Å; K112-T114 PolarHBondContact O-OG1 3.15Å
115	L	94.7	Very high	92.5	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.4	176	63.9	87.2	0	0	0	110.5	F40 T42 C51 A52 A55 I117	F40-L115 HydrophobicContact CB-CD1 3.74Å; F40-L115 HydrophobicContact CB-CG 3.97Å; F40-L115 HydrophobicContact CD2-CD1 3.64Å; F40-L115 HydrophobicContact CG-CD1 3.97Å; F40-L115 PolarHBondContact N-O 2.71Å; F40-L115 PolarHBondContact O-N 3.15Å; T42-L115 HydrophobicContact CG2-CD2 3.69Å; T42-L115 HydrophobicContact CG2-CG 4.16Å; C51-L115 HydrophobicContact CB-CD2 3.7Å; A52-L115 HydrophobicContact CB-CD2 4.24Å; A55-L115 HydrophobicContact CB-CD1 3.78Å; L115-I117 HydrophobicContact CD1-CD1 3.79Å; L115-I117 HydrophobicContact CD1-CG1 3.93Å
116	F	96.4	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.8	178	-173.1	-84.5	0	0	0	109.6	L31 M35 V38 F39 C106 V107 T109 V118 C152	L31-F116 HydrophobicContact CD1-CB 4.28Å; L31-F116 HydrophobicContact CD1-CD1 3.9Å; L31-F116 HydrophobicContact CD1-CD2 4.01Å; L31-F116 HydrophobicContact CD1-CE1 4.2Å; L31-F116 HydrophobicContact CD1-CE2 4.29Å; L31-F116 HydrophobicContact CD1-CG 3.8Å; L31-F116 HydrophobicContact CD1-CZ 4.38Å; M35-F116 HydrophobicContact CB-CE1 4.18Å; V38-F116 WeakPolarHBondContact O-CA 3.32Å; F39-F116 HydrophobicContact CB-CD2 3.82Å; F39-F116 HydrophobicContact CB-CE2 4.23Å; F39-F116 HydrophobicContact CD2-CD2 4.22Å; C106-F116 WeakPolarHBondContact CA-O 3.37Å; V107-F116 HydrophobicContact CG2-CB 3.68Å; V107-F116 HydrophobicContact CG2-CD1 3.74Å; V107-F116 HydrophobicContact CG2-CG 4.1Å; V107-F116 PolarHBondContact N-O 2.82Å; T109-F116 HydrophobicContact CG2-CB 3.97Å; F116-V118 HydrophobicContact CD1-CG2 3.84Å; F116-V118 HydrophobicContact CE1-CB 4.46Å; F116-V118 HydrophobicContact CE1-CG2 3.83Å; F116-C152 HydrophobicContact CE2-CB 3.55Å; F116-C152 HydrophobicContact CZ-CB 3.83Å
117	I	95.6	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.9	174	-55.4	-52.6	0	0	0	107.8	G37 V38 F40 A55 I56 V59 L104 C106 L115	G37-I117 CarbonylContact C-O 3.56Å; G37-I117 WeakPolarHBondContact CA-O 3.32Å; V38-I117 PolarHBondContact N-O 3.19Å; V38-I117 PolarHBondContact O-N 3.39Å; F40-I117 HydrophobicContact CD2-CG1 4.01Å; F40-I117 HydrophobicContact CE2-CB 4.14Å; F40-I117 HydrophobicContact CE2-CG1 3.64Å; A55-I117 HydrophobicContact CB-CD1 4.1Å; A55-I117 HydrophobicContact CB-CG1 3.87Å; I56-I117 HydrophobicContact CD1-CD1 4.46Å; I56-I117 HydrophobicContact CG1-CD1 3.7Å; V59-I117 HydrophobicContact CB-CG2 4.4Å; V59-I117 HydrophobicContact CG1-CG2 4.33Å; V59-I117 HydrophobicContact CG2-CG2 4.24Å; L104-I117 HydrophobicContact CD2-CG2 4.27Å; C106-I117 HydrophobicContact CB-CD1 3.5Å; L115-I117 HydrophobicContact CD1-CD1 3.79Å; L115-I117 HydrophobicContact CD1-CG1 3.93Å
118	V	94.7	Very high	93.3	Very high	7 Å²	7	39 Å²	39	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.2	176.3	-178.3	0	0	0	0	109.1	M35 S36 L104 F105 V107 F116	M35-V118 HydrophobicContact CB-CG2 4.45Å; M35-V118 HydrophobicContact CE-CG2 4.46Å; M35-V118 HydrophobicContact CG-CG2 4.29Å; M35-V118 HydrophobicContact SD-CG2 3.86Å; S36-V118 WeakPolarHBondContact O-CA 3.41Å; L104-V118 WeakPolarHBondContact CD2-O 3.48Å; F105-V118 HydrophobicContact CD1-CB 4.16Å; F105-V118 HydrophobicContact CD2-CB 4.37Å; F105-V118 HydrophobicContact CD2-CG2 4.19Å; F105-V118 HydrophobicContact CE1-CB 3.71Å; F105-V118 HydrophobicContact CE1-CG1 3.68Å; F105-V118 HydrophobicContact CE1-CG2 4.29Å; F105-V118 HydrophobicContact CE2-CB 3.99Å; F105-V118 HydrophobicContact CE2-CG1 4.42Å; F105-V118 HydrophobicContact CE2-CG2 3.65Å; F105-V118 HydrophobicContact CG-CB 4.46Å; F105-V118 HydrophobicContact CZ-CB 3.64Å; F105-V118 HydrophobicContact CZ-CG1 3.63Å; F105-V118 HydrophobicContact CZ-CG2 3.71Å; F105-V118 PolarHBondContact O-N 3.22Å; V107-V118 HydrophobicContact CG1-CG2 3.84Å; V107-V118 HydrophobicContact CG2-CG2 4.22Å; F116-V118 HydrophobicContact CD1-CG2 3.84Å; F116-V118 HydrophobicContact CE1-CB 4.46Å; F116-V118 HydrophobicContact CE1-CG2 3.83Å
119	I	93	Very high	93.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.4	177.4	-53.4	176.8	0	0	0	107.5	S36 V38 V59 L63 L104 A122 L127	S36-I119 PolarHBondContact O-N 2.89Å; V38-I119 HydrophobicContact CG2-CD1 3.81Å; V59-I119 HydrophobicContact CG1-CD1 3.63Å; V59-I119 HydrophobicContact CG1-CG1 3.96Å; L63-I119 HydrophobicContact CD1-CG2 4.21Å; L63-I119 HydrophobicContact CD2-CG2 4.42Å; L104-I119 HydrophobicContact CD2-CB 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.81Å; L104-I119 HydrophobicContact CD2-CG2 4.39Å; I119-A122 HydrophobicContact CG2-CB 3.94Å; I119-L127 HydrophobicContact CD1-CD1 4.24Å; I119-L127 HydrophobicContact CD1-CD2 4.23Å
120	R	85.3	Confident	93.8	Very high	146 Å²	146	39.9 Å²	39.9	55%	0.551	20%	0.203	S	C	*	.	S	Bend	trans	-88.7	-37.5	-177.5	-66.2	-164.8	-176	103.2	-3	114.5	Q102	Q102-R120 PolarHBondContact O-NH1 3.17Å
121	N	83.8	Confident	94	Very high	114 Å²	114	37.9 Å²	37.9	61%	0.61	18%	0.183	S	C	*	.	S	Bend	trans	-119.3	31.8	-164.1	-64.1	-25.3	0	0	0	113.8	Q103	Q103-N121 PolarHBondContact NE2-ND2 3.32Å; Q103-N121 PolarHBondContact OE1-ND2 3Å; Q103-N121 VanDerWaalsContact OE1-ND2 3.11Å
122	A	90.8	Very high	94.2	Very high	20 Å²	20	37 Å²	37	17%	0.165	18%	0.177	C	C	.	.	S	Bend	trans	-153.8	153.4	174.6	0	0	0	0	0	111.3	L63 I119 P124	L63-A122 HydrophobicContact CD2-CB 3.45Å; L63-A122 VanDerWaalsContact CD2-CB 3.45Å; I119-A122 HydrophobicContact CG2-CB 3.94Å; A122-P124 VanDerWaalsContact O-CD 3.26Å; A122-P124 WeakPolarHBondContact O-CD 3.39Å
123	D	93.6	Very high	94.4	Very high	51 Å²	51	31.5 Å²	31.5	27%	0.273	16%	0.157	S	C	.	.			trans	-71.1	116.5	169.2	-171	-10.2	0	0	0	108.8	V125 D126 L127 Q153 K174	D123-V125 PolarHBondContact O-N 2.96Å; D123-V125 PolarHBondContact OD1-N 2.8Å; D123-D126 HydrophobicContact CB-CB 4.26Å; D123-D126 PolarHBondContact O-N 3.39Å; D123-L127 PolarHBondContact O-N 2.84Å; D123-L127 VanDerWaalsContact O-N 3.16Å; D123-Q153 PolarHBondContact OD1-NE2 3.38Å; D123-Q153 VanDerWaalsContact OD1-NE2 3.09Å; D123-Q153 PolarHBondContact OD2-NE2 3.47Å; D123-K174 IonicContact OD2-NZ 3.92Å; D123-K174 PolarHBondContact OD2-NZ 3.4Å
124	P	96.2	Very high	94.5	Very high	3 Å²	3	32 Å²	32	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-27.7	178.8	25.2	-33.8	0	0	0	112.5	G37 V38 A122 L127 V128 P151 C152 Q153	G37-P124 WeakPolarHBondContact O-CB 3.42Å; V38-P124 HydrophobicContact CG2-CB 4.22Å; A122-P124 VanDerWaalsContact O-CD 3.26Å; A122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-L127 PolarHBondContact O-N 2.81Å; P124-V128 WeakPolarHBondContact O-CB 3.43Å; P124-V128 WeakPolarHBondContact O-CG2 3.46Å; P124-V128 PolarHBondContact O-N 3.35Å; P124-P151 HydrophobicContact CB-CB 4.08Å; P124-C152 WeakPolarHBondContact CG-O 3.32Å; P124-Q153 HydrophobicContact CG-CG 3.97Å
125	V	97.2	Very high	94.6	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.097	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-50.9	176.8	171.4	0	0	0	0	110	D123 L127 V128 M129 P151 Q153 L243	D123-V125 PolarHBondContact O-N 2.96Å; D123-V125 PolarHBondContact OD1-N 2.8Å; V125-L127 VanDerWaalsContact C-N 3.3Å; V125-L127 PolarHBondContact O-N 2.79Å; V125-V128 PolarHBondContact O-N 3.49Å; V125-M129 HydrophobicContact CG1-CG 4.09Å; V125-M129 WeakPolarHBondContact O-CB 3.48Å; V125-M129 WeakPolarHBondContact O-CG 3.37Å; V125-M129 PolarHBondContact O-N 3.19Å; V125-P151 HydrophobicContact CB-CB 4.42Å; V125-P151 HydrophobicContact CG2-CB 3.78Å; V125-P151 HydrophobicContact CG2-CG 3.8Å; V125-Q153 HydrophobicContact CG2-CG 3.7Å; V125-L243 HydrophobicContact CG1-CB 3.78Å; V125-L243 HydrophobicContact CG2-CB 4.44Å
126	D	95.7	Very high	94.7	Very high	62 Å²	62	37 Å²	37	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-40.6	178.1	175.5	66	0	0	0	112	R66 D123 M129 R130	R66-D126 IonicContact CZ-OD2 3.11Å; R66-D126 IonicContact NE-OD2 2.62Å; R66-D126 IonicContact NH1-OD2 2.97Å; R66-D126 PolarHBondContact NH1-OD2 3.29Å; R66-D126 IonicContact NH2-OD2 3.18Å; R66-D126 PolarHBondContact NH2-OD2 3.06Å; D123-D126 HydrophobicContact CB-CB 4.26Å; D123-D126 PolarHBondContact O-N 3.39Å; D126-M129 PolarHBondContact O-N 3.03Å; D126-R130 WeakPolarHBondContact O-CG 3.18Å; D126-R130 PolarHBondContact O-N 3.3Å; D126-R130 IonicContact OD2-CZ 3.97Å; D126-R130 IonicContact OD2-NE 3.92Å; D126-R130 PolarHBondContact OD2-NE 2.87Å; D126-R130 IonicContact OD2-NH2 3.36Å
127	L	96.1	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-50.2	175.4	179.6	137	0	0	0	112.2	V38 V59 L63 I119 D123 P124 V125 R130 I131	V38-L127 HydrophobicContact CG2-CD2 3.94Å; V59-L127 HydrophobicContact CG1-CD1 4.13Å; V59-L127 HydrophobicContact CG2-CD2 4.37Å; L63-L127 HydrophobicContact CD1-CD1 4.34Å; L63-L127 HydrophobicContact CD2-CD1 3.57Å; L63-L127 HydrophobicContact CG-CD1 3.61Å; I119-L127 HydrophobicContact CD1-CD1 4.24Å; I119-L127 HydrophobicContact CD1-CD2 4.23Å; D123-L127 PolarHBondContact O-N 2.84Å; D123-L127 VanDerWaalsContact O-N 3.16Å; P124-L127 PolarHBondContact O-N 2.81Å; V125-L127 VanDerWaalsContact C-N 3.3Å; V125-L127 PolarHBondContact O-N 2.79Å; L127-R130 PolarHBondContact O-N 3.15Å; L127-I131 HydrophobicContact CD2-CD1 3.55Å; L127-I131 HydrophobicContact CG-CD1 4.13Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.41Å; L127-I131 VanDerWaalsContact O-N 3.14Å
128	V	97.4	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-43.4	179.4	171.8	0	0	0	0	110.7	V38 P124 V125 R130 I131 L132 L149 P151 F252	V38-V128 HydrophobicContact CB-CG2 4.39Å; V38-V128 HydrophobicContact CG1-CG2 3.8Å; V38-V128 HydrophobicContact CG2-CG2 3.61Å; P124-V128 WeakPolarHBondContact O-CB 3.43Å; P124-V128 WeakPolarHBondContact O-CG2 3.46Å; P124-V128 PolarHBondContact O-N 3.35Å; V125-V128 PolarHBondContact O-N 3.49Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-I131 PolarHBondContact O-N 3.44Å; V128-L132 HydrophobicContact CG1-CD1 3.62Å; V128-L132 HydrophobicContact CG1-CG 3.94Å; V128-L132 VanDerWaalsContact O-CG 3.29Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.25Å; V128-L149 HydrophobicContact CG1-CB 3.92Å; V128-L149 WeakPolarHBondContact CG1-O 3.42Å; V128-L149 HydrophobicContact CG2-CB 4.3Å; V128-P151 HydrophobicContact CB-CB 4.34Å; V128-P151 HydrophobicContact CB-CG 4.41Å; V128-P151 HydrophobicContact CG2-CB 4Å; V128-P151 HydrophobicContact CG2-CG 4.46Å; V128-F252 HydrophobicContact CG1-CD2 3.79Å; V128-F252 HydrophobicContact CG1-CE2 3.8Å
129	M	97.1	Very high	94.6	Very high	31 Å²	31	47.2 Å²	47.2	15%	0.153	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-42.3	179	-72.8	-61.5	-70.2	0	0	112	V125 D126 L132 N133 L249 F252	V125-M129 HydrophobicContact CG1-CG 4.09Å; V125-M129 WeakPolarHBondContact O-CB 3.48Å; V125-M129 WeakPolarHBondContact O-CG 3.37Å; V125-M129 PolarHBondContact O-N 3.19Å; D126-M129 PolarHBondContact O-N 3.03Å; M129-L132 PolarHBondContact O-N 3.48Å; M129-N133 VanDerWaalsContact O-CB 3.26Å; M129-N133 WeakPolarHBondContact O-CB 3.45Å; M129-N133 VanDerWaalsContact O-CG 3.26Å; M129-N133 PolarHBondContact O-N 2.9Å; M129-N133 PolarHBondContact O-ND2 2.93Å; M129-L249 HydrophobicContact CE-CD1 3.78Å; M129-L249 HydrophobicContact SD-CD1 3.67Å; M129-F252 HydrophobicContact SD-CE1 4.29Å; M129-F252 HydrophobicContact SD-CZ 3.66Å
130	R	95.8	Very high	94.6	Very high	58 Å²	58	49.8 Å²	49.8	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-48.7	174.3	-73.4	-176	-66.1	113.7	2	112	Y62 D126 L127 V128 L132 N133 D134	Y62-R130 HydrophobicContact CD1-CB 4.14Å; Y62-R130 HydrophobicContact CE1-CB 4.25Å; Y62-R130 PolarHBondContact O-NH1 2.98Å; Y62-R130 PolarHBondContact O-NH2 3.07Å; D126-R130 WeakPolarHBondContact O-CG 3.18Å; D126-R130 PolarHBondContact O-N 3.3Å; D126-R130 IonicContact OD2-CZ 3.97Å; D126-R130 IonicContact OD2-NE 3.92Å; D126-R130 PolarHBondContact OD2-NE 2.87Å; D126-R130 IonicContact OD2-NH2 3.36Å; L127-R130 PolarHBondContact O-N 3.15Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 2.84Å; R130-L132 VanDerWaalsContact C-N 3.33Å; R130-L132 PolarHBondContact O-N 2.85Å; R130-N133 PolarHBondContact O-N 2.89Å; R130-D134 PolarHBondContact O-N 2.9Å
131	I	96.8	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.8	-49.4	178.1	-66.6	165.9	0	0	0	111	L58 Y62 L127 V128 D134 V135 L149 W254	L58-I131 HydrophobicContact CD1-CG2 4.43Å; L58-I131 HydrophobicContact CD2-CD1 4.24Å; L58-I131 HydrophobicContact CG-CD1 4.16Å; Y62-I131 HydrophobicContact CD1-CB 4.49Å; Y62-I131 HydrophobicContact CD1-CD1 4.48Å; Y62-I131 HydrophobicContact CD1-CG1 3.47Å; Y62-I131 VanDerWaalsContact CD1-CG1 3.47Å; Y62-I131 HydrophobicContact CD2-CD1 4.11Å; Y62-I131 HydrophobicContact CD2-CG1 3.55Å; Y62-I131 HydrophobicContact CE1-CB 4.24Å; Y62-I131 HydrophobicContact CE1-CG1 3.62Å; Y62-I131 HydrophobicContact CE2-CG1 3.66Å; Y62-I131 HydrophobicContact CG-CD1 4.06Å; Y62-I131 HydrophobicContact CG-CG1 3.44Å; Y62-I131 VanDerWaalsContact CG-CG1 3.44Å; L127-I131 HydrophobicContact CD2-CD1 3.55Å; L127-I131 HydrophobicContact CG-CD1 4.13Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.41Å; L127-I131 VanDerWaalsContact O-N 3.14Å; V128-I131 PolarHBondContact O-N 3.44Å; I131-D134 PolarHBondContact O-N 2.98Å; I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 3.17Å; I131-V135 VanDerWaalsContact O-N 3.15Å; I131-L149 HydrophobicContact CB-CD2 4.34Å; I131-L149 HydrophobicContact CD1-CD2 3.96Å; I131-L149 HydrophobicContact CG2-CD2 3.76Å; I131-W254 HydrophobicContact CG2-CE3 3.54Å; I131-W254 HydrophobicContact CG2-CZ3 3.4Å
132	L	97.5	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-35.3	-176	-61.8	-178.3	0	0	0	112.3	V128 M129 R130 V135 K136 L249 F252 W254 I257	V128-L132 HydrophobicContact CG1-CD1 3.62Å; V128-L132 HydrophobicContact CG1-CG 3.94Å; V128-L132 VanDerWaalsContact O-CG 3.29Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.25Å; M129-L132 PolarHBondContact O-N 3.48Å; R130-L132 VanDerWaalsContact C-N 3.33Å; R130-L132 PolarHBondContact O-N 2.85Å; L132-V135 PolarHBondContact O-N 2.94Å; L132-K136 WeakPolarHBondContact O-CB 3.48Å; L132-K136 PolarHBondContact O-N 3.37Å; L132-L249 HydrophobicContact CB-CD1 3.99Å; L132-L249 HydrophobicContact CB-CD2 4.1Å; L132-L249 HydrophobicContact CB-CG 4.46Å; L132-L249 HydrophobicContact CD1-CB 4.24Å; L132-L249 HydrophobicContact CD1-CD1 4.13Å; L132-F252 HydrophobicContact CD1-CB 3.75Å; L132-F252 HydrophobicContact CD1-CD1 3.46Å; L132-F252 VanDerWaalsContact CD1-CD1 3.46Å; L132-F252 HydrophobicContact CD1-CD2 3.72Å; L132-F252 HydrophobicContact CD1-CE1 3.85Å; L132-F252 HydrophobicContact CD1-CE2 4.04Å; L132-F252 HydrophobicContact CD1-CG 3.37Å; L132-F252 HydrophobicContact CD1-CZ 4.11Å; L132-W254 HydrophobicContact CD2-CB 3.48Å; L132-W254 VanDerWaalsContact CD2-CB 3.48Å; L132-W254 HydrophobicContact CD2-CG 4.44Å; L132-I257 HydrophobicContact CB-CD1 3.97Å; L132-I257 HydrophobicContact CD2-CD1 3.83Å; L132-I257 HydrophobicContact CG-CD1 4.37Å
133	N	96.7	Very high	95.8	Very high	68 Å²	68	48.2 Å²	48.2	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-69.1	-36.8	175.3	-76.7	-40.4	0	0	0	112.3	M129 R130 V135 K136 A137	M129-N133 VanDerWaalsContact O-CB 3.26Å; M129-N133 WeakPolarHBondContact O-CB 3.45Å; M129-N133 VanDerWaalsContact O-CG 3.26Å; M129-N133 PolarHBondContact O-N 2.9Å; M129-N133 PolarHBondContact O-ND2 2.93Å; R130-N133 PolarHBondContact O-N 2.89Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 2.87Å; N133-K136 PolarHBondContact O-N 3.41Å; N133-A137 WeakPolarHBondContact O-CB 3.39Å; N133-A137 PolarHBondContact O-N 3.25Å
134	D	96.1	Very high	95.7	Very high	66 Å²	66	52 Å²	52	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-38.2	173.5	-72.8	-9.5	0	0	0	111.7	Y62 R130 I131 A137 G138 G139 R140	Y62-D134 WeakPolarHBondContact CE1-OD2 3.48Å; Y62-D134 VanDerWaalsContact CZ-OD2 3.27Å; Y62-D134 WeakPolarHBondContact OH-CB 3.46Å; Y62-D134 PolarHBondContact OH-OD2 3.36Å; R130-D134 PolarHBondContact O-N 2.9Å; I131-D134 PolarHBondContact O-N 2.98Å; D134-A137 PolarHBondContact O-N 3.05Å; D134-G138 PolarHBondContact O-N 2.83Å; D134-G139 PolarHBondContact O-N 3.16Å; D134-R140 HydrophobicContact CB-CB 4.08Å; D134-R140 PolarHBondContact O-N 2.62Å; D134-R140 VanDerWaalsContact O-N 3.15Å
135	V	96.7	Very high	95.7	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-47.8	172.9	173.7	0	0	0	0	110.4	I131 L132 N133 A137 G138 R140 W254 I257	I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 3.17Å; I131-V135 VanDerWaalsContact O-N 3.15Å; L132-V135 PolarHBondContact O-N 2.94Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 2.87Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 2.87Å; V135-G138 PolarHBondContact O-N 2.99Å; V135-R140 WeakPolarHBondContact CA-O 3.23Å; V135-R140 HydrophobicContact CG2-CB 4.03Å; V135-R140 HydrophobicContact CG2-CG 3.88Å; V135-W254 HydrophobicContact CG2-CE3 3.94Å; V135-I257 HydrophobicContact CG1-CB 4.09Å; V135-I257 HydrophobicContact CG1-CG2 4.12Å
136	K	96.3	Very high	95.6	Very high	122 Å²	122	51.8 Å²	51.8	53%	0.53	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-36.8	177.9	-173.9	179.1	177.6	-179.4	0	112.9	L132 N133 G138 L249 I257	L132-K136 WeakPolarHBondContact O-CB 3.48Å; L132-K136 PolarHBondContact O-N 3.37Å; N133-K136 PolarHBondContact O-N 3.41Å; K136-G138 VanDerWaalsContact C-N 3.26Å; K136-G138 PolarHBondContact O-N 3.18Å; K136-L249 HydrophobicContact CB-CD2 4.46Å; K136-L249 HydrophobicContact CD-CD2 3.93Å; K136-I257 HydrophobicContact CB-CG2 3.72Å; K136-I257 HydrophobicContact CG-CG2 4.2Å
137	A	96.2	Very high	95.6	Very high	86 Å²	86	51.9 Å²	51.9	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.7	177.6	0	0	0	0	0	113.4	N133 D134 V135 G139	N133-A137 WeakPolarHBondContact O-CB 3.39Å; N133-A137 PolarHBondContact O-N 3.25Å; D134-A137 PolarHBondContact O-N 3.05Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 2.87Å; A137-G139 VanDerWaalsContact C-N 3.26Å; A137-G139 PolarHBondContact O-N 3.37Å
138	G	94.5	Very high	95.7	Very high	64 Å²	64	55.1 Å²	55.1	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	6.3	-176.1	0	0	0	0	0	114.6	D134 V135 K136 R140	D134-G138 PolarHBondContact O-N 2.83Å; V135-G138 PolarHBondContact O-N 2.99Å; K136-G138 VanDerWaalsContact C-N 3.26Å; K136-G138 PolarHBondContact O-N 3.18Å; G138-R140 VanDerWaalsContact C-N 3.32Å
139	G	93.2	Very high	95.7	Very high	71 Å²	71	55.1 Å²	55.1	73%	0.732	31%	0.307	S	S	*	.	S	Bend	trans	-74.8	-21.3	176.9	0	0	0	0	0	113.5	D134 A137	D134-G139 PolarHBondContact O-N 3.16Å; A137-G139 VanDerWaalsContact C-N 3.26Å; A137-G139 PolarHBondContact O-N 3.37Å
140	R	94.5	Very high	95.7	Very high	57 Å²	57	53.7 Å²	53.7	22%	0.215	30%	0.3	C	S	.	.	S	Bend	trans	-132.2	141.4	174.6	171.5	167.7	-62.6	-93.2	-17.6	111.4	E61 Y62 D134 V135 G138	E61-R140 IonicContact OE1-CZ 3.73Å; E61-R140 IonicContact OE1-NH2 2.62Å; E61-R140 PolarHBondContact OE1-NH2 3.42Å; E61-R140 IonicContact OE2-CZ 3.26Å; E61-R140 VanDerWaalsContact OE2-CZ 3.26Å; E61-R140 IonicContact OE2-NH1 2.91Å; E61-R140 PolarHBondContact OE2-NH1 3.48Å; E61-R140 IonicContact OE2-NH2 2.84Å; E61-R140 PolarHBondContact OE2-NH2 2.96Å; Y62-R140 VanDerWaalsContact CE2-CZ 3.48Å; Y62-R140 VanDerWaalsContact CE2-NE 3.32Å; Y62-R140 PolarHBondContact OH-NE 3.3Å; D134-R140 HydrophobicContact CB-CB 4.08Å; D134-R140 PolarHBondContact O-N 2.62Å; D134-R140 VanDerWaalsContact O-N 3.15Å; V135-R140 WeakPolarHBondContact CA-O 3.23Å; V135-R140 HydrophobicContact CG2-CB 4.03Å; V135-R140 HydrophobicContact CG2-CG 3.88Å; G138-R140 VanDerWaalsContact C-N 3.32Å
141	K	95.7	Very high	95.8	Very high	187 Å²	187	51 Å²	51	81%	0.813	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-87.3	137.6	165.5	-65.6	-176.7	-179.5	178.6	0	110.4
142	P	95	Very high	95.9	Very high	50 Å²	50	51 Å²	51	33%	0.325	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66.8	149.7	175.3	28.2	-33.6	0	0	0	111.1	W254 V255	P142-W254 HydrophobicContact CB-CB 4.42Å; P142-W254 HydrophobicContact CB-CD2 3.96Å; P142-W254 HydrophobicContact CB-CG 3.87Å; P142-W254 VanDerWaalsContact CB-O 3.28Å; P142-W254 WeakPolarHBondContact CB-O 3.37Å; P142-W254 WeakPolarHBondContact CG-O 3.23Å; P142-V255 HydrophobicContact CB-CG2 4.48Å
143	S	93.3	Very high	95.9	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.9	170.3	179.4	0	0	0	0	111	E54 L145 L146 W254	E54-S143 WeakPolarHBondContact OE1-CB 3.48Å; E54-S143 PolarHBondContact OE1-OG 3.14Å; E54-S143 PolarHBondContact OE2-OG 2.84Å; S143-L145 PolarHBondContact OG-N 3.47Å; S143-L146 VanDerWaalsContact O-O 3.06Å; S143-L146 PolarHBondContact OG-N 3.11Å; S143-W254 VanDerWaalsContact N-CZ2 3.31Å
144	H	92.2	Very high	95.8	Very high	130 Å²	130	51.1 Å²	51.1	60%	0.602	29%	0.289	S	S	*	.	S	Bend	trans	-82.8	-12.1	168	69.3	-76.9	0	0	0	113.1	T43	T43-H144 PolarHBondContact OG1-O 3.45Å
145	L	95.6	Very high	95.9	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.068	27%	0.274	C	S	.	.	S	Bend	trans	-92.6	-32	178.3	-61.8	-164.2	0	0	0	113	T42 T43 K46 Q50 E54 S143	T42-L145 CarbonylContact C-O 3.56Å; T42-L145 VanDerWaalsContact CA-O 3.26Å; T42-L145 WeakPolarHBondContact CA-O 3.31Å; T42-L145 WeakPolarHBondContact CB-O 3.48Å; T43-L145 PolarHBondContact N-O 3.34Å; K46-L145 HydrophobicContact CB-CD2 4.23Å; K46-L145 HydrophobicContact CD-CD2 3.71Å; K46-L145 HydrophobicContact CG-CD2 3.72Å; Q50-L145 HydrophobicContact CB-CD1 4.13Å; E54-L145 VanDerWaalsContact OE2-CB 3.31Å; E54-L145 WeakPolarHBondContact OE2-CB 3.34Å; E54-L145 WeakPolarHBondContact OE2-CD1 3.34Å; E54-L145 WeakPolarHBondContact OE2-CG 3.39Å; S143-L145 PolarHBondContact OG-N 3.47Å
146	L	96.1	Very high	96	Very high	1 Å²	1	48 Å²	48	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.1	-179.9	-45.3	175.4	0	0	0	108.7	F40 T42 C51 E54 A55 L58 S143 W254	F40-L146 HydrophobicContact CD1-CB 4.23Å; F40-L146 HydrophobicContact CD1-CD1 3.92Å; F40-L146 HydrophobicContact CD1-CD2 4.27Å; F40-L146 HydrophobicContact CD1-CG 4.37Å; F40-L146 HydrophobicContact CE1-CD1 3.84Å; T42-L146 HydrophobicContact CG2-CD2 4.17Å; C51-L146 HydrophobicContact CB-CD2 4.28Å; E54-L146 HydrophobicContact CG-CD1 4.46Å; A55-L146 HydrophobicContact CB-CD1 4.05Å; A55-L146 HydrophobicContact CB-CD2 4.11Å; L58-L146 HydrophobicContact CD2-CD1 4.07Å; S143-L146 VanDerWaalsContact O-O 3.06Å; S143-L146 PolarHBondContact OG-N 3.11Å; L146-W254 HydrophobicContact CB-CZ2 3.81Å; L146-W254 HydrophobicContact CD1-CH2 4.43Å; L146-W254 HydrophobicContact CD1-CZ2 3.99Å; L146-W254 HydrophobicContact CG-CZ2 4.36Å; L146-W254 PolarHBondContact O-NE1 3.48Å
147	Q	95.6	Very high	96	Very high	65 Å²	65	43.7 Å²	43.7	30%	0.304	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-57.2	-178.1	-66.6	-163	-30.4	0	0	112.3	T41 N253 W254	T41-Q147 PolarHBondContact O-N 3.44Å; Q147-N253 CarbonylContact O-C 3.58Å; Q147-N253 VanDerWaalsContact O-CA 3.3Å; Q147-N253 WeakPolarHBondContact O-CA 3.47Å; Q147-N253 PolarHBondContact O-OD1 2.78Å; Q147-W254 PolarHBondContact O-N 3.14Å; Q147-W254 VanDerWaalsContact O-N 3.13Å
148	R	97.1	Very high	96.1	Very high	67 Å²	67	40.4 Å²	40.4	25%	0.253	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142	179.3	-60.7	-173.2	177	99.2	-6.7	111.2	F40 T41 L150 F252 N253	F40-R148 VanDerWaalsContact CA-O 3.27Å; F40-R148 WeakPolarHBondContact CA-O 3.41Å; T41-R148 HydrophobicContact CG2-CB 4.39Å; T41-R148 PolarHBondContact N-O 3.18Å; T41-R148 VanDerWaalsContact N-O 3.11Å; T41-R148 PolarHBondContact O-N 3.42Å; T41-R148 VanDerWaalsContact OG1-CB 3.32Å; T41-R148 WeakPolarHBondContact OG1-CB 3.1Å; T41-R148 PolarHBondContact OG1-N 2.91Å; T41-R148 VanDerWaalsContact OG1-N 3.14Å; R148-L150 HydrophobicContact CB-CG 4.39Å; R148-F252 WeakPolarHBondContact CA-O 3.37Å; R148-N253 HydrophobicContact CG-CB 3.86Å
149	L	97.7	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	101.7	174.4	-72.3	77.3	0	0	0	107.7	V38 F40 L58 V128 I131 F252 W254	V38-L149 HydrophobicContact CG1-CB 4.23Å; F40-L149 HydrophobicContact CD1-CD1 4.36Å; F40-L149 HydrophobicContact CD1-CG 3.83Å; F40-L149 HydrophobicContact CE1-CB 4.47Å; F40-L149 HydrophobicContact CE1-CD1 4.25Å; F40-L149 HydrophobicContact CE1-CD2 3.78Å; F40-L149 HydrophobicContact CE1-CG 3.47Å; F40-L149 VanDerWaalsContact CE1-CG 3.47Å; F40-L149 HydrophobicContact CZ-CD2 4.37Å; F40-L149 HydrophobicContact CZ-CG 4.33Å; L58-L149 HydrophobicContact CD2-CD2 3.9Å; V128-L149 HydrophobicContact CG1-CB 3.92Å; V128-L149 WeakPolarHBondContact CG1-O 3.42Å; V128-L149 HydrophobicContact CG2-CB 4.3Å; I131-L149 HydrophobicContact CB-CD2 4.34Å; I131-L149 HydrophobicContact CD1-CD2 3.96Å; I131-L149 HydrophobicContact CG2-CD2 3.76Å; L149-F252 PolarHBondContact N-O 3.36Å; L149-F252 VanDerWaalsContact N-O 3.14Å; L149-F252 WeakPolarHBondContact O-CB 3.45Å; L149-F252 WeakPolarHBondContact O-CD2 3.33Å; L149-W254 HydrophobicContact CD1-CB 4.25Å; L149-W254 HydrophobicContact CD1-CD2 3.37Å; L149-W254 HydrophobicContact CD1-CE3 3.8Å; L149-W254 HydrophobicContact CD1-CG 3.58Å; L149-W254 HydrophobicContact CD1-CZ2 4.11Å; L149-W254 HydrophobicContact CD1-CZ3 4.36Å; L149-W254 HydrophobicContact CD2-CE3 4.2Å; L149-W254 HydrophobicContact CD2-CZ3 4.28Å
150	L	97.5	Very high	96.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.6	-177.4	-59	178.3	0	0	0	109.3	F39 R148 Y246 F252	F39-L150 HydrophobicContact CB-CB 4.19Å; F39-L150 WeakPolarHBondContact CB-O 3.33Å; F39-L150 HydrophobicContact CD1-CB 4.13Å; F39-L150 HydrophobicContact CD1-CD1 3.84Å; F39-L150 HydrophobicContact CD1-CG 4.34Å; F39-L150 HydrophobicContact CE1-CD1 4.17Å; F39-L150 PolarHBondContact N-O 3.42Å; F39-L150 PolarHBondContact O-N 3.14Å; R148-L150 HydrophobicContact CB-CG 4.39Å; L150-Y246 HydrophobicContact CD2-CE2 4.31Å; L150-F252 HydrophobicContact CD2-CB 4.07Å; L150-F252 HydrophobicContact CD2-CD2 4.49Å
151	P	97.9	Very high	96.4	Very high	2 Å²	2	43 Å²	43	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	146.7	179.7	29.9	-33.9	0	0	0	110.4	P124 V125 V128 S241 L243 F252	P124-P151 HydrophobicContact CB-CB 4.08Å; V125-P151 HydrophobicContact CB-CB 4.42Å; V125-P151 HydrophobicContact CG2-CB 3.78Å; V125-P151 HydrophobicContact CG2-CG 3.8Å; V128-P151 HydrophobicContact CB-CB 4.34Å; V128-P151 HydrophobicContact CB-CG 4.41Å; V128-P151 HydrophobicContact CG2-CB 4Å; V128-P151 HydrophobicContact CG2-CG 4.46Å; P151-S241 VanDerWaalsContact O-CB 3.23Å; P151-S241 WeakPolarHBondContact O-CB 3.5Å; P151-S241 PolarHBondContact O-OG 3.23Å; P151-L243 HydrophobicContact CG-CD2 3.56Å; P151-F252 HydrophobicContact CG-CE2 4.08Å
152	C	97.8	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	103.5	176.6	172.9	0	0	0	0	108.3	S36 G37 F116 P124 I154 C239	S36-C152 CarbonylContact C-O 3.45Å; S36-C152 WeakPolarHBondContact CA-O 3.33Å; S36-C152 PolarHBondContact OG-O 3.14Å; G37-C152 PolarHBondContact N-O 3.01Å; G37-C152 PolarHBondContact O-N 3Å; F116-C152 HydrophobicContact CE2-CB 3.55Å; F116-C152 HydrophobicContact CZ-CB 3.83Å; P124-C152 WeakPolarHBondContact CG-O 3.32Å; C152-I154 PolarHBondContact SG-O 3.15Å; C152-C239 HydrophobicContact CB-CB 3.92Å; C152-C239 WeakPolarHBondContact SG-CB 3.47Å
153	Q	97.2	Very high	96.7	Very high	27 Å²	27	36.6 Å²	36.6	13%	0.126	19%	0.186	C	C	.	.	S	Bend	trans	-79.3	-36.7	-180	-70	173	-60.3	0	0	111.7	S36 D123 P124 V125 L170 L240	S36-Q153 WeakPolarHBondContact CB-O 3.03Å; S36-Q153 PolarHBondContact OG-O 3.13Å; D123-Q153 PolarHBondContact OD1-NE2 3.38Å; D123-Q153 VanDerWaalsContact OD1-NE2 3.09Å; D123-Q153 PolarHBondContact OD2-NE2 3.47Å; P124-Q153 HydrophobicContact CG-CG 3.97Å; V125-Q153 HydrophobicContact CG2-CG 3.7Å; Q153-L170 HydrophobicContact CB-CD1 3.88Å; Q153-L170 HydrophobicContact CB-CD2 4.49Å; Q153-L240 PolarHBondContact N-O 3.02Å
154	I	96.6	Very high	96.9	Very high	43 Å²	43	37.1 Å²	37.1	22%	0.221	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.6	175.6	-169.2	168.5	0	0	0	109.3	C152 A166 L170 L240	C152-I154 PolarHBondContact SG-O 3.15Å; I154-A166 HydrophobicContact CD1-CB 4.12Å; I154-A166 HydrophobicContact CG2-CB 4.46Å; I154-L170 HydrophobicContact CG2-CB 4.27Å; I154-L170 HydrophobicContact CG2-CD2 4.09Å; I154-L240 HydrophobicContact CG2-CB 3.75Å; I154-L240 HydrophobicContact CG2-CD1 4.03Å; I154-L240 HydrophobicContact CG2-CG 4.43Å; I154-L240 PolarHBondContact N-O 2.98Å; I154-L240 PolarHBondContact O-N 3.32Å
155	S	97.4	Very high	97.1	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.3	169.5	58	0	0	0	0	111	S32 G34 M35 C238	S32-S155 PolarHBondContact O-OG 3.32Å; G34-S155 PolarHBondContact N-O 2.95Å; G34-S155 PolarHBondContact N-OG 2.93Å; G34-S155 VanDerWaalsContact N-OG 3.15Å; M35-S155 WeakPolarHBondContact CA-OG 3.44Å; M35-S155 PolarHBondContact N-OG 3.4Å; M35-S155 WeakPolarHBondContact O-CB 3.45Å; M35-S155 PolarHBondContact O-N 3.42Å; M35-S155 PolarHBondContact O-OG 2.93Å; S155-C238 CarbonylContact C-O 3.58Å; S155-C238 WeakPolarHBondContact CA-O 3.26Å
156	C	98	Very high	97.2	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	169.9	-178.8	63.5	0	0	0	0	111.1	H162 A166 V237 C238	C156-H162 HydrophobicContact CB-CB 4.5Å; C156-A166 HydrophobicContact CB-CB 3.77Å; C156-V237 WeakPolarHBondContact O-CA 3.11Å; C156-C238 PolarHBondContact N-O 3.28Å; C156-C238 PolarHBondContact O-N 3.46Å
157	A	97.5	Very high	97.3	Very high	30 Å²	30	37.1 Å²	37.1	25%	0.248	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.1	173.1	0	0	0	0	0	109.4	V33 A159 H162	V33-A157 HydrophobicContact CG2-CB 4.22Å; A157-A159 PolarHBondContact O-N 3.33Å; A157-H162 HydrophobicContact CB-CB 4.22Å
158	A	96.7	Very high	97.4	Very high	17 Å²	17	34.2 Å²	34.2	14%	0.14	18%	0.177	C	C	.	.	S	Bend	trans	-74.2	72	176.7	0	0	0	0	0	110	I198 I233 T236	A158-I198 HydrophobicContact CB-CD1 3.82Å; A158-I198 WeakPolarHBondContact O-CD1 3.33Å; A158-I233 HydrophobicContact CB-CG2 3.87Å; A158-T236 VanDerWaalsContact CB-O 3.31Å; A158-T236 WeakPolarHBondContact CB-O 3.31Å; A158-T236 PolarHBondContact N-O 2.83Å
159	A	96.5	Very high	97.3	Very high	39 Å²	39	35.7 Å²	35.7	32%	0.322	19%	0.187	S	C	.	.	S	Bend	trans	-148.3	138.1	175.9	0	0	0	0	0	108.5	A157 K161 H162 I163	A157-A159 PolarHBondContact O-N 3.33Å; A159-K161 VanDerWaalsContact C-N 3.31Å; A159-K161 PolarHBondContact O-N 3.25Å; A159-H162 WeakPolarHBondContact O-CA 3.45Å; A159-H162 WeakPolarHBondContact O-CB 3.49Å; A159-H162 PolarHBondContact O-N 2.75Å; A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 3.11Å
160	V	96.5	Very high	97.3	Very high	32 Å²	32	36.3 Å²	36.3	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-54.5	-45.9	-167.1	177.3	0	0	0	0	112.1	H162 I163 A164 E202 I203 V206	V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.2Å; V160-I163 PolarHBondContact O-N 2.99Å; V160-A164 WeakPolarHBondContact O-CB 3.18Å; V160-A164 PolarHBondContact O-N 3.46Å; V160-E202 HydrophobicContact CG1-CG 3.83Å; V160-E202 HydrophobicContact CG2-CG 3.91Å; V160-E202 WeakPolarHBondContact CG2-OE1 3.42Å; V160-E202 WeakPolarHBondContact CG2-OE2 3.26Å; V160-I203 HydrophobicContact CG2-CD1 4.39Å; V160-V206 HydrophobicContact CG1-CG2 3.76Å
161	K	96.9	Very high	97.2	Very high	177 Å²	177	36.3 Å²	36.3	77%	0.77	19%	0.19	S	C	*	.	H	α-helix	trans	-57.6	-41.1	176.3	-176.9	179.6	179.2	179.5	0	113.2	A159 K165	A159-K161 VanDerWaalsContact C-N 3.31Å; A159-K161 PolarHBondContact O-N 3.25Å; K161-K165 PolarHBondContact O-N 3.47Å
162	H	97.7	Very high	97.1	Very high	101 Å²	101	43 Å²	43	47%	0.468	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-38.3	179.7	-71.5	-82	0	0	0	111.5	C156 A157 A159 V160 K165 A166	C156-H162 HydrophobicContact CB-CB 4.5Å; A157-H162 HydrophobicContact CB-CB 4.22Å; A159-H162 WeakPolarHBondContact O-CA 3.45Å; A159-H162 WeakPolarHBondContact O-CB 3.49Å; A159-H162 PolarHBondContact O-N 2.75Å; V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.2Å; H162-K165 PolarHBondContact O-N 3.11Å; H162-A166 VanDerWaalsContact O-CB 3.32Å; H162-A166 WeakPolarHBondContact O-CB 3.19Å; H162-A166 PolarHBondContact O-N 3.39Å
163	I	97.9	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-46.6	176	-64.7	167.3	0	0	0	110.2	A159 V160 K165 A166 I167 I198 I203 C238 L240	A159-I163 WeakPolarHBondContact O-CG1 3.35Å; A159-I163 PolarHBondContact O-N 3.11Å; V160-I163 PolarHBondContact O-N 2.99Å; I163-K165 PolarHBondContact O-N 3.5Å; I163-A166 PolarHBondContact O-N 3.5Å; I163-I167 WeakPolarHBondContact O-CB 3.35Å; I163-I167 VanDerWaalsContact O-CG2 3.27Å; I163-I167 WeakPolarHBondContact O-CG2 3.32Å; I163-I167 PolarHBondContact O-N 3.45Å; I163-I198 HydrophobicContact CD1-CD1 3.86Å; I163-I203 HydrophobicContact CB-CD1 4.39Å; I163-I203 HydrophobicContact CD1-CD1 3.6Å; I163-I203 HydrophobicContact CG2-CD1 4.13Å; I163-C238 HydrophobicContact CD1-CB 4.06Å; I163-C238 HydrophobicContact CG1-CB 3.95Å; I163-L240 HydrophobicContact CG2-CD2 4.41Å
164	A	97.5	Very high	96.6	Very high	21 Å²	21	48.9 Å²	48.9	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-55.6	-48.5	176.8	0	0	0	0	0	111.9	V160 I167 G168 V206	V160-A164 WeakPolarHBondContact O-CB 3.18Å; V160-A164 PolarHBondContact O-N 3.46Å; A164-I167 WeakPolarHBondContact O-CG2 3.3Å; A164-G168 PolarHBondContact O-N 3.22Å; A164-V206 VanDerWaalsContact CA-CG1 3.48Å; A164-V206 HydrophobicContact CB-CG1 3.51Å; A164-V206 HydrophobicContact CB-CG2 4.48Å
165	K	97.9	Very high	96.4	Very high	139 Å²	139	47.6 Å²	47.6	60%	0.604	25%	0.247	S	C	*	.	H	α-helix	trans	-60.6	-51.5	176.4	-178.8	178.1	173.6	-180	0	111.8	K161 H162 I163 I167 G168 E169	K161-K165 PolarHBondContact O-N 3.47Å; H162-K165 PolarHBondContact O-N 3.11Å; I163-K165 PolarHBondContact O-N 3.5Å; K165-I167 PolarHBondContact O-N 3.01Å; K165-G168 PolarHBondContact O-N 3.44Å; K165-E169 WeakPolarHBondContact CE-OE1 3.19Å; K165-E169 IonicContact NZ-OE1 2.63Å; K165-E169 WeakPolarHBondContact O-CG 3.44Å; K165-E169 PolarHBondContact O-N 3.32Å
166	A	97.9	Very high	96.1	Very high	6 Å²	6	51.1 Å²	51.1	5%	0.05	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-38.4	-175.6	0	0	0	0	0	112.3	I154 C156 H162 I163 L170 L240	I154-A166 HydrophobicContact CD1-CB 4.12Å; I154-A166 HydrophobicContact CG2-CB 4.46Å; C156-A166 HydrophobicContact CB-CB 3.77Å; H162-A166 VanDerWaalsContact O-CB 3.32Å; H162-A166 WeakPolarHBondContact O-CB 3.19Å; H162-A166 PolarHBondContact O-N 3.39Å; I163-A166 PolarHBondContact O-N 3.5Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.38Å; A166-L240 HydrophobicContact CB-CD1 3.7Å
167	I	97.7	Very high	95.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-72.2	-39.1	176.9	-164	58.5	0	0	0	111.4	I163 A164 K165 E169 L170 L171 V206 V207 E210 I229 L240	I163-I167 WeakPolarHBondContact O-CB 3.35Å; I163-I167 VanDerWaalsContact O-CG2 3.27Å; I163-I167 WeakPolarHBondContact O-CG2 3.32Å; I163-I167 PolarHBondContact O-N 3.45Å; A164-I167 WeakPolarHBondContact O-CG2 3.3Å; K165-I167 PolarHBondContact O-N 3.01Å; I167-E169 VanDerWaalsContact C-N 3.34Å; I167-E169 PolarHBondContact O-N 3.31Å; I167-L170 HydrophobicContact CD1-CB 4.48Å; I167-L170 HydrophobicContact CD1-CD2 4.1Å; I167-L170 PolarHBondContact O-N 3.1Å; I167-L171 HydrophobicContact CD1-CG 4.19Å; I167-L171 HydrophobicContact CG1-CD1 3.85Å; I167-L171 HydrophobicContact CG1-CG 4.05Å; I167-L171 WeakPolarHBondContact O-CB 3.42Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 3.11Å; I167-V206 HydrophobicContact CG2-CG1 4.32Å; I167-V207 HydrophobicContact CG1-CG2 4.32Å; I167-E210 HydrophobicContact CG2-CB 4.36Å; I167-E210 HydrophobicContact CG2-CG 3.97Å; I167-I229 HydrophobicContact CD1-CG2 3.7Å; I167-I229 HydrophobicContact CG1-CG2 4.34Å; I167-L240 HydrophobicContact CB-CD1 4.17Å; I167-L240 HydrophobicContact CD1-CD2 4.46Å
168	G	97	Very high	95.6	Very high	4 Å²	4	62.6 Å²	62.6	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-42.7	174.4	0	0	0	0	0	112.3	A164 K165 K172 E210	A164-G168 PolarHBondContact O-N 3.22Å; K165-G168 PolarHBondContact O-N 3.44Å; G168-K172 VanDerWaalsContact O-CG 3.24Å; G168-K172 WeakPolarHBondContact O-CG 3.44Å; G168-K172 PolarHBondContact O-N 3.48Å; G168-E210 WeakPolarHBondContact CA-OE2 3.27Å
169	E	96.4	Very high	95.4	Very high	97 Å²	97	62.8 Å²	62.8	45%	0.453	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-47.1	173.2	-73.5	172.2	-173.4	0	0	112	K165 I167 K172 S173	K165-E169 WeakPolarHBondContact CE-OE1 3.19Å; K165-E169 IonicContact NZ-OE1 2.63Å; K165-E169 WeakPolarHBondContact O-CG 3.44Å; K165-E169 PolarHBondContact O-N 3.32Å; I167-E169 VanDerWaalsContact C-N 3.34Å; I167-E169 PolarHBondContact O-N 3.31Å; E169-K172 PolarHBondContact O-N 2.9Å; E169-S173 PolarHBondContact O-N 2.93Å
170	L	96.6	Very high	95.2	Very high	14 Å²	14	63 Å²	63	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-45.6	178.9	-178.3	62	0	0	0	111.7	Q153 I154 A166 I167 S173 K174 L240 V242	Q153-L170 HydrophobicContact CB-CD1 3.88Å; Q153-L170 HydrophobicContact CB-CD2 4.49Å; I154-L170 HydrophobicContact CG2-CB 4.27Å; I154-L170 HydrophobicContact CG2-CD2 4.09Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 3.38Å; I167-L170 HydrophobicContact CD1-CB 4.48Å; I167-L170 HydrophobicContact CD1-CD2 4.1Å; I167-L170 PolarHBondContact O-N 3.1Å; L170-S173 PolarHBondContact O-N 3.33Å; L170-S173 PolarHBondContact O-OG 2.91Å; L170-K174 PolarHBondContact O-N 2.75Å; L170-L240 HydrophobicContact CD2-CB 4.11Å; L170-V242 HydrophobicContact CD2-CG2 3.85Å; L170-V242 HydrophobicContact CG-CG2 4.05Å
171	L	96.5	Very high	95.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-41.9	-179.2	-70.5	169.7	0	0	0	111.6	I167 S173 K174 F175 E210 I211 L214 V242	I167-L171 HydrophobicContact CD1-CG 4.19Å; I167-L171 HydrophobicContact CG1-CD1 3.85Å; I167-L171 HydrophobicContact CG1-CG 4.05Å; I167-L171 WeakPolarHBondContact O-CB 3.42Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 3.11Å; L171-S173 PolarHBondContact O-N 2.74Å; L171-K174 PolarHBondContact O-N 2.98Å; L171-F175 HydrophobicContact CB-CD2 4.37Å; L171-F175 HydrophobicContact CD2-CD2 3.85Å; L171-F175 HydrophobicContact CD2-CE2 3.45Å; L171-F175 VanDerWaalsContact CD2-CE2 3.45Å; L171-F175 HydrophobicContact CD2-CZ 4.29Å; L171-F175 WeakPolarHBondContact O-CB 3.2Å; L171-F175 PolarHBondContact O-N 3.44Å; L171-E210 HydrophobicContact CD1-CB 3.79Å; L171-I211 HydrophobicContact CD1-CG1 3.6Å; L171-I211 HydrophobicContact CD2-CG1 3.99Å; L171-I211 HydrophobicContact CG-CG1 4.47Å; L171-L214 HydrophobicContact CB-CD1 3.57Å; L171-V242 HydrophobicContact CD2-CG2 3.96Å
172	K	94.7	Very high	95	Very high	144 Å²	144	63.5 Å²	63.5	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-56	-35.9	174.5	-76.5	170.8	-174.6	178.4	0	112.7	G168 E169 L214	G168-K172 VanDerWaalsContact O-CG 3.24Å; G168-K172 WeakPolarHBondContact O-CG 3.44Å; G168-K172 PolarHBondContact O-N 3.48Å; E169-K172 PolarHBondContact O-N 2.9Å; K172-L214 HydrophobicContact CG-CD1 4.23Å; K172-L214 HydrophobicContact CG-CD2 3.92Å
173	S	92.5	Very high	94.8	Very high	81 Å²	81	64 Å²	64	57%	0.566	32%	0.315	S	S	*	.	H	α-helix	trans	-75	-25.5	177.7	77.9	0	0	0	0	113.9	E169 L170 L171	E169-S173 PolarHBondContact O-N 2.93Å; L170-S173 PolarHBondContact O-N 3.33Å; L170-S173 PolarHBondContact O-OG 2.91Å; L171-S173 PolarHBondContact O-N 2.74Å
174	K	91.7	Very high	94.6	Very high	70 Å²	70	64.1 Å²	64.1	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-103	-30.3	-174	-68.4	-62.4	-173	177.8	0	113.9	D123 L170 L171 T176 L179 V242	D123-K174 IonicContact OD2-NZ 3.92Å; D123-K174 PolarHBondContact OD2-NZ 3.4Å; L170-K174 PolarHBondContact O-N 2.75Å; L171-K174 PolarHBondContact O-N 2.98Å; K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 2.9Å; K174-L179 WeakPolarHBondContact O-CD2 3.5Å; K174-V242 HydrophobicContact CG-CB 4.4Å
175	F	91.9	Very high	94.6	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.066	32%	0.319	C	S	.	.			trans	-83	77.8	176.9	-82.5	-118.7	0	0	0	109.7	L171 L179 V180 P184 I211 L214 L227	L171-F175 HydrophobicContact CB-CD2 4.37Å; L171-F175 HydrophobicContact CD2-CD2 3.85Å; L171-F175 HydrophobicContact CD2-CE2 3.45Å; L171-F175 VanDerWaalsContact CD2-CE2 3.45Å; L171-F175 HydrophobicContact CD2-CZ 4.29Å; L171-F175 WeakPolarHBondContact O-CB 3.2Å; L171-F175 PolarHBondContact O-N 3.44Å; F175-L179 HydrophobicContact CD2-CD2 4.3Å; F175-L179 HydrophobicContact CG-CD2 4.33Å; F175-V180 HydrophobicContact CB-CG2 4.2Å; F175-V180 HydrophobicContact CD1-CG2 4.2Å; F175-P184 HydrophobicContact CE1-CG 4.02Å; F175-P184 HydrophobicContact CZ-CG 4.49Å; F175-I211 HydrophobicContact CE1-CG2 4.06Å; F175-I211 HydrophobicContact CZ-CG1 4.39Å; F175-I211 HydrophobicContact CZ-CG2 4.1Å; F175-L214 HydrophobicContact CB-CD1 4.44Å; F175-L227 HydrophobicContact CE1-CD1 4.35Å; F175-L227 HydrophobicContact CE2-CD1 3.81Å; F175-L227 HydrophobicContact CZ-CD1 3.56Å
176	T	92.7	Very high	94.6	Very high	77 Å²	77	58.2 Å²	58.2	47%	0.472	29%	0.291	S	S	.	.			trans	-63.7	160.3	168.7	60.6	0	0	0	0	110.5	K174 E178 L179 V180	K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 2.9Å; T176-E178 VanDerWaalsContact C-N 3.25Å; T176-E178 PolarHBondContact O-N 2.83Å; T176-L179 PolarHBondContact O-N 2.61Å; T176-L179 PolarHBondContact OG1-N 3.19Å; T176-V180 WeakPolarHBondContact O-CG2 3.39Å; T176-V180 PolarHBondContact O-N 3.15Å
177	Q	91.1	Very high	94.6	Very high	150 Å²	150	58.1 Å²	58.1	70%	0.701	29%	0.29	S	S	*	.	H	α-helix	trans	-55.9	-42.3	178.1	-173.5	176.7	-16.2	0	0	112	L179 V180 E181	Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.48Å; Q177-V180 PolarHBondContact O-N 3.06Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.4Å; Q177-E181 PolarHBondContact NE2-OE1 2.84Å; Q177-E181 VanDerWaalsContact NE2-OE1 3.11Å; Q177-E181 WeakPolarHBondContact O-CG 3.45Å; Q177-E181 PolarHBondContact O-N 3.4Å
178	E	93	Very high	94.6	Very high	131 Å²	131	58.6 Å²	58.6	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-58	-44.9	174.7	-174.8	-170.2	170.6	0	0	112.1	T176 V180 E181 Q182	T176-E178 VanDerWaalsContact C-N 3.25Å; T176-E178 PolarHBondContact O-N 2.83Å; E178-V180 VanDerWaalsContact C-N 3.33Å; E178-V180 PolarHBondContact O-N 3.43Å; E178-E181 PolarHBondContact O-N 3.35Å; E178-Q182 WeakPolarHBondContact O-CG 3.41Å; E178-Q182 PolarHBondContact O-N 3.45Å; E178-Q182 PolarHBondContact OE1-NE2 3.01Å
179	L	92.3	Very high	94.6	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-42	178.5	-173.1	61	0	0	0	110.5	K174 F175 T176 Q177 Q182 P184 L227	K174-L179 WeakPolarHBondContact O-CD2 3.5Å; F175-L179 HydrophobicContact CD2-CD2 4.3Å; F175-L179 HydrophobicContact CG-CD2 4.33Å; T176-L179 PolarHBondContact O-N 2.61Å; T176-L179 PolarHBondContact OG1-N 3.19Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.48Å; L179-Q182 PolarHBondContact O-N 3.31Å; L179-P184 HydrophobicContact CD1-CB 4.11Å; L179-P184 HydrophobicContact CD1-CG 4.19Å; L179-P184 HydrophobicContact CG-CG 4.1Å; L179-P184 WeakPolarHBondContact O-CD 3.2Å; L179-L227 HydrophobicContact CD1-CD1 4.46Å; L179-L227 HydrophobicContact CD2-CD1 3.91Å; L179-L227 HydrophobicContact CD2-CD2 4.5Å; L179-L227 HydrophobicContact CG-CD1 4.46Å
180	V	92.7	Very high	94.6	Very high	42 Å²	42	56.5 Å²	56.5	26%	0.255	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.5	175.4	0	0	0	0	111.5	F175 T176 Q177 E178 Q182 K183	F175-V180 HydrophobicContact CB-CG2 4.2Å; F175-V180 HydrophobicContact CD1-CG2 4.2Å; T176-V180 WeakPolarHBondContact O-CG2 3.39Å; T176-V180 PolarHBondContact O-N 3.15Å; Q177-V180 PolarHBondContact O-N 3.06Å; E178-V180 VanDerWaalsContact C-N 3.33Å; E178-V180 PolarHBondContact O-N 3.43Å; V180-Q182 PolarHBondContact O-N 3.42Å; V180-K183 PolarHBondContact O-N 3.36Å
181	E	94.1	Very high	94.6	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-30.1	178.7	-74.2	171.8	-170.7	0	0	112.8	Q177 E178 K183	Q177-E181 WeakPolarHBondContact CG-OE1 3.4Å; Q177-E181 PolarHBondContact NE2-OE1 2.84Å; Q177-E181 VanDerWaalsContact NE2-OE1 3.11Å; Q177-E181 WeakPolarHBondContact O-CG 3.45Å; Q177-E181 PolarHBondContact O-N 3.4Å; E178-E181 PolarHBondContact O-N 3.35Å; E181-K183 PolarHBondContact O-N 2.97Å
182	Q	94.4	Very high	94.6	Very high	94 Å²	94	63 Å²	63	44%	0.439	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.3	175.3	-67.1	172	12.9	0	0	114	E178 L179 V180	E178-Q182 WeakPolarHBondContact O-CG 3.41Å; E178-Q182 PolarHBondContact O-N 3.45Å; E178-Q182 PolarHBondContact OE1-NE2 3.01Å; L179-Q182 PolarHBondContact O-N 3.31Å; V180-Q182 PolarHBondContact O-N 3.42Å
183	K	94.2	Very high	94.6	Very high	112 Å²	112	58.1 Å²	58.1	49%	0.487	29%	0.291	S	S	.	.			trans	50.2	58	177.5	-51.3	176.1	-169.4	-169.4	0	111.9	V180 E181 S185 E217	V180-K183 PolarHBondContact O-N 3.36Å; E181-K183 PolarHBondContact O-N 2.97Å; K183-S185 PolarHBondContact O-N 3.14Å; K183-E217 HydrophobicContact CB-CB 4.33Å; K183-E217 HydrophobicContact CD-CB 3.91Å; K183-E217 WeakPolarHBondContact CD-OE2 3.1Å; K183-E217 WeakPolarHBondContact CE-OE2 3.48Å; K183-E217 HydrophobicContact CG-CB 3.93Å; K183-E217 IonicContact NZ-OE2 3.97Å; K183-E217 PolarHBondContact NZ-OE2 2.82Å
184	P	94.6	Very high	94.7	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.019	29%	0.294	C	S	.	.			trans	-65.1	139.9	-164.3	26.9	-36.8	0	0	0	109.9	F175 L179 S218 K226 L227	F175-P184 HydrophobicContact CE1-CG 4.02Å; F175-P184 HydrophobicContact CZ-CG 4.49Å; L179-P184 HydrophobicContact CD1-CB 4.11Å; L179-P184 HydrophobicContact CD1-CG 4.19Å; L179-P184 HydrophobicContact CG-CG 4.1Å; L179-P184 WeakPolarHBondContact O-CD 3.2Å; P184-S218 VanDerWaalsContact CD-OG 3.24Å; P184-S218 WeakPolarHBondContact CD-OG 3.47Å; P184-S218 WeakPolarHBondContact CG-OG 3.49Å; P184-S218 WeakPolarHBondContact O-CA 3.41Å; P184-S218 VanDerWaalsContact O-CB 3.25Å; P184-S218 WeakPolarHBondContact O-CB 3.46Å; P184-S218 PolarHBondContact O-OG 2.68Å; P184-K226 HydrophobicContact CB-CD 4.3Å; P184-L227 HydrophobicContact CB-CD1 3.8Å; P184-L227 HydrophobicContact CB-CG 4.26Å; P184-L227 HydrophobicContact CG-CD1 3.9Å
185	S	96.8	Very high	94.8	Very high	34 Å²	34	57.4 Å²	57.4	24%	0.238	28%	0.284	C	S	.	.			trans	-76.9	143.8	167.6	61.7	0	0	0	0	109.9	K183 K219 P225 K226 L227	K183-S185 PolarHBondContact O-N 3.14Å; S185-K219 CarbonylContact C-O 3.54Å; S185-K219 WeakPolarHBondContact CA-O 3.32Å; S185-P225 WeakPolarHBondContact OG-CA 3.47Å; S185-K226 PolarHBondContact O-N 2.9Å; S185-K226 PolarHBondContact OG-N 3.29Å; S185-L227 PolarHBondContact O-N 3.13Å
186	F	97.8	Very high	94.7	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155	-177.6	69.5	-85.6	0	0	0	113.4	V188 V208 I211 K219 V220 C221 L227 I229	F186-V188 HydrophobicContact CD2-CG2 4.39Å; F186-V188 HydrophobicContact CE2-CG2 4.39Å; F186-V208 HydrophobicContact CE2-CG2 3.97Å; F186-V208 HydrophobicContact CZ-CG2 4.21Å; F186-I211 HydrophobicContact CD1-CD1 4.35Å; F186-I211 HydrophobicContact CD1-CG2 3.97Å; F186-I211 HydrophobicContact CD2-CD1 3.41Å; F186-I211 VanDerWaalsContact CD2-CD1 3.41Å; F186-I211 HydrophobicContact CE1-CB 4.45Å; F186-I211 HydrophobicContact CE1-CD1 4.4Å; F186-I211 HydrophobicContact CE1-CG2 3.65Å; F186-I211 HydrophobicContact CE2-CD1 3.46Å; F186-I211 VanDerWaalsContact CE2-CD1 3.46Å; F186-I211 HydrophobicContact CG-CD1 3.87Å; F186-I211 HydrophobicContact CZ-CB 4.23Å; F186-I211 HydrophobicContact CZ-CD1 3.97Å; F186-I211 HydrophobicContact CZ-CG2 3.93Å; F186-K219 WeakPolarHBondContact CD1-O 3.4Å; F186-K219 PolarHBondContact N-O 2.94Å; F186-V220 HydrophobicContact CE1-CG2 4.1Å; F186-V220 HydrophobicContact CE2-CG2 3.73Å; F186-V220 HydrophobicContact CZ-CG2 3.48Å; F186-V220 VanDerWaalsContact CZ-CG2 3.48Å; F186-V220 CarbonylContact O-C 3.55Å; F186-V220 WeakPolarHBondContact O-CA 3.32Å; F186-C221 PolarHBondContact O-N 2.87Å; F186-L227 CarbonylContact C-O 3.53Å; F186-L227 WeakPolarHBondContact CA-O 3.39Å; F186-L227 HydrophobicContact CB-CB 4.13Å; F186-I229 HydrophobicContact CB-CD1 3.83Å; F186-I229 HydrophobicContact CD2-CD1 3.97Å; F186-I229 HydrophobicContact CG-CD1 4.28Å
187	A	97.6	Very high	94.6	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.1	165.6	0	0	0	0	0	110.7	C221 L222 P225 L227 Y228 I229	A187-C221 WeakPolarHBondContact CB-O 3.32Å; A187-L222 HydrophobicContact CB-CD2 4.44Å; A187-P225 HydrophobicContact CB-CB 4.06Å; A187-P225 HydrophobicContact CB-CG 3.65Å; A187-L227 PolarHBondContact N-O 2.91Å; A187-Y228 HydrophobicContact CB-CD1 4.24Å; A187-Y228 HydrophobicContact CB-CE1 4.45Å; A187-Y228 WeakPolarHBondContact O-CA 3.28Å; A187-I229 PolarHBondContact O-N 3.15Å
188	V	97.9	Very high	94.7	Very high	10 Å²	10	56.4 Å²	56.4	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.9	171.3	-177	0	0	0	0	107.9	F186 Y204 V207 I229 V231	F186-V188 HydrophobicContact CD2-CG2 4.39Å; F186-V188 HydrophobicContact CE2-CG2 4.39Å; V188-Y204 HydrophobicContact CB-CD1 3.62Å; V188-Y204 HydrophobicContact CB-CE1 3.62Å; V188-Y204 HydrophobicContact CG1-CD1 3.83Å; V188-Y204 HydrophobicContact CG1-CE1 3.86Å; V188-Y204 HydrophobicContact CG2-CD1 4.32Å; V188-Y204 WeakPolarHBondContact O-CE1 3.5Å; V188-V207 HydrophobicContact CG1-CB 4.36Å; V188-V207 HydrophobicContact CG1-CG1 4.34Å; V188-V207 HydrophobicContact CG1-CG2 4.31Å; V188-V207 HydrophobicContact CG2-CB 3.93Å; V188-V207 HydrophobicContact CG2-CG1 3.46Å; V188-V207 VanDerWaalsContact CG2-CG1 3.46Å; V188-I229 WeakPolarHBondContact CA-O 3.41Å; V188-I229 HydrophobicContact CG2-CB 4.48Å; V188-V231 HydrophobicContact CG1-CG2 4.18Å
189	V	97	Very high	94.8	Very high	27 Å²	27	53 Å²	53	16%	0.164	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	101.9	179	178.1	0	0	0	0	107.7	Y228 I229 L230 V231 Y246	V189-Y228 HydrophobicContact CG2-CD1 3.89Å; V189-I229 PolarHBondContact N-O 2.92Å; V189-L230 HydrophobicContact CB-CD2 3.67Å; V189-L230 HydrophobicContact CG1-CD2 3.62Å; V189-L230 HydrophobicContact CG2-CD2 4.43Å; V189-V231 PolarHBondContact O-N 2.99Å; V189-Y246 HydrophobicContact CG1-CE1 4Å; V189-Y246 HydrophobicContact CG2-CD1 4.24Å; V189-Y246 HydrophobicContact CG2-CE1 4.12Å
190	F	97.1	Very high	95	Very high	31 Å²	31	54.6 Å²	54.6	14%	0.136	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.8	179.7	179.4	-102.8	0	0	0	111	H192 I203 Y204 V231 I233	F190-H192 HydrophobicContact CE1-CB 4.38Å; F190-H192 AromaticContact CE1-ND1 3.7Å; F190-H192 HydrophobicContact CZ-CB 4.28Å; F190-I203 HydrophobicContact CD2-CB 4.25Å; F190-I203 HydrophobicContact CD2-CG1 4.38Å; F190-I203 HydrophobicContact CD2-CG2 3.98Å; F190-I203 HydrophobicContact CE2-CB 4.32Å; F190-I203 HydrophobicContact CE2-CG1 3.96Å; F190-I203 HydrophobicContact CE2-CG2 4.38Å; F190-Y204 HydrophobicContact CB-CE2 4.42Å; F190-V231 WeakPolarHBondContact CA-O 3.42Å; F190-V231 HydrophobicContact CD2-CB 4.2Å; F190-V231 HydrophobicContact CD2-CG1 4.08Å; F190-V231 HydrophobicContact CE2-CG1 4.46Å; F190-I233 HydrophobicContact CE2-CD1 3.48Å; F190-I233 VanDerWaalsContact CE2-CD1 3.48Å; F190-I233 HydrophobicContact CE2-CG1 4.22Å; F190-I233 HydrophobicContact CZ-CD1 3.8Å
191	Q	95.9	Very high	95.1	Very high	43 Å²	43	57.8 Å²	57.8	20%	0.201	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.4	171.1	-64.1	-172.9	-2.3	0	0	109.6	V231 N232 I233	Q191-V231 PolarHBondContact N-O 2.98Å; Q191-N232 WeakPolarHBondContact CB-OD1 3.45Å; Q191-N232 CarbonylContact O-C 3.5Å; Q191-N232 WeakPolarHBondContact O-CA 3.26Å; Q191-N232 PolarHBondContact OE1-OD1 3.42Å; Q191-I233 PolarHBondContact O-N 2.88Å
192	H	95.5	Very high	95.3	Very high	107 Å²	107	56 Å²	56	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.5	173.8	67.2	-87.9	0	0	0	110.9	F190 N195 I233	F190-H192 HydrophobicContact CE1-CB 4.38Å; F190-H192 AromaticContact CE1-ND1 3.7Å; F190-H192 HydrophobicContact CZ-CB 4.28Å; H192-N195 HydrophobicContact CB-CB 4.47Å; H192-N195 PolarHBondContact CD2-O 3.41Å; H192-I233 CarbonylContact C-O 3.57Å; H192-I233 WeakPolarHBondContact CA-O 3.27Å; H192-I233 HydrophobicContact CB-CB 4.12Å
193	R	95.1	Very high	95.4	Very high	42 Å²	42	51.6 Å²	51.6	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122.3	176	-66.2	173.5	-176	77.1	6.7	108.8	V111 N195 N232 I233 K235	V111-R193 HydrophobicContact CG1-CB 4.01Å; V111-R193 HydrophobicContact CG2-CB 4.28Å; R193-N195 PolarHBondContact O-N 3.2Å; R193-N232 PolarHBondContact NH1-OD1 3.25Å; R193-I233 PolarHBondContact N-O 3Å; R193-K235 PolarHBondContact O-N 3.37Å
194	N	94.2	Very high	95.6	Very high	117 Å²	117	50.1 Å²	50.1	63%	0.626	28%	0.282	S	S	*	.	S	Bend	trans	52.4	36.6	-176.3	-64.5	1.5	0	0	0	113.2	V111 K235	V111-N194 HydrophobicContact CG2-CB 4.21Å; N194-K235 HydrophobicContact CB-CG 3.97Å
195	N	94.7	Very high	95.7	Very high	18 Å²	18	54 Å²	54	10%	0.096	30%	0.302	C	S	.	.			trans	-136	130.2	171.8	-175.9	-76.5	0	0	0	108.4	H192 R193 S197 I198 I233 K235	H192-N195 HydrophobicContact CB-CB 4.47Å; H192-N195 PolarHBondContact CD2-O 3.41Å; R193-N195 PolarHBondContact O-N 3.2Å; N195-S197 PolarHBondContact ND2-OG 3.39Å; N195-S197 PolarHBondContact OD1-N 2.99Å; N195-S197 VanDerWaalsContact OD1-N 3.11Å; N195-S197 PolarHBondContact OD1-OG 3.47Å; N195-I198 PolarHBondContact OD1-N 3.34Å; N195-I233 HydrophobicContact CB-CG2 3.54Å; N195-K235 WeakPolarHBondContact CB-O 3.06Å; N195-K235 PolarHBondContact ND2-O 2.92Å
196	A	90.1	Very high	95.8	Very high	107 Å²	107	53.6 Å²	53.6	88%	0.884	30%	0.299	S	S	*	.			trans	-126.4	8.7	176.5	0	0	0	0	0	112.2
197	S	90.9	Very high	95.7	Very high	95 Å²	95	53.5 Å²	53.5	66%	0.664	30%	0.298	S	S	*	.	S	Bend	trans	-94.5	-20.9	-171	61.2	0	0	0	0	113.6	N195	N195-S197 PolarHBondContact ND2-OG 3.39Å; N195-S197 PolarHBondContact OD1-N 2.99Å; N195-S197 VanDerWaalsContact OD1-N 3.11Å; N195-S197 PolarHBondContact OD1-OG 3.47Å
198	I	93.7	Very high	95.7	Very high	20 Å²	20	54.4 Å²	54.4	10%	0.103	30%	0.303	C	S	.	.	S	Bend	trans	-102	125.9	-176.7	-61.4	-171.8	0	0	0	110.4	A158 I163 N195 I203 I233	A158-I198 HydrophobicContact CB-CD1 3.82Å; A158-I198 WeakPolarHBondContact O-CD1 3.33Å; I163-I198 HydrophobicContact CD1-CD1 3.86Å; N195-I198 PolarHBondContact OD1-N 3.34Å; I198-I203 HydrophobicContact CG2-CD1 3.65Å; I198-I203 HydrophobicContact CG2-CG1 3.42Å; I198-I203 VanDerWaalsContact CG2-CG1 3.42Å; I198-I233 HydrophobicContact CB-CD1 3.88Å; I198-I233 HydrophobicContact CD1-CD1 3.66Å; I198-I233 HydrophobicContact CG1-CD1 4.23Å; I198-I233 HydrophobicContact CG2-CD1 3.96Å
199	S	94.4	Very high	95.7	Very high	59 Å²	59	57.7 Å²	57.7	41%	0.413	32%	0.323	S	S	.	.			trans	-70.1	130.6	172.4	174.7	0	0	0	0	110.7	Q201 E202 I203	S199-Q201 VanDerWaalsContact C-N 3.3Å; S199-Q201 PolarHBondContact O-N 3.47Å; S199-Q201 PolarHBondContact OG-N 2.92Å; S199-E202 PolarHBondContact O-N 3.46Å; S199-I203 WeakPolarHBondContact O-CG1 3.29Å; S199-I203 PolarHBondContact O-N 3.49Å
200	S	95.2	Very high	95.7	Very high	54 Å²	54	58.9 Å²	58.9	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-42.5	173.1	54.5	0	0	0	0	111.3	E202 I203 Y204	S200-E202 VanDerWaalsContact C-N 3.34Å; S200-E202 PolarHBondContact O-N 3.35Å; S200-I203 PolarHBondContact O-N 2.97Å; S200-Y204 WeakPolarHBondContact O-CD2 3.39Å; S200-Y204 PolarHBondContact O-N 3.37Å
201	Q	96.6	Very high	95.6	Very high	109 Å²	109	57.4 Å²	57.4	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-43.6	-178.8	-172.4	58.7	44.9	0	0	111.9	S199 I203 Y204 D205	S199-Q201 VanDerWaalsContact C-N 3.3Å; S199-Q201 PolarHBondContact O-N 3.47Å; S199-Q201 PolarHBondContact OG-N 2.92Å; Q201-I203 VanDerWaalsContact C-N 3.28Å; Q201-I203 PolarHBondContact O-N 3.37Å; Q201-Y204 WeakPolarHBondContact O-CB 3.32Å; Q201-Y204 PolarHBondContact O-N 3.29Å; Q201-Y204 VanDerWaalsContact O-N 3.12Å; Q201-D205 PolarHBondContact NE2-OD1 3.29Å; Q201-D205 VanDerWaalsContact O-CG 3.24Å; Q201-D205 PolarHBondContact O-N 2.98Å
202	E	96.6	Very high	95.6	Very high	90 Å²	90	61.9 Å²	61.9	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-37.9	179.3	-169	176.1	-169	0	0	111.6	V160 S199 S200 D205 V206	V160-E202 HydrophobicContact CG1-CG 3.83Å; V160-E202 HydrophobicContact CG2-CG 3.91Å; V160-E202 WeakPolarHBondContact CG2-OE1 3.42Å; V160-E202 WeakPolarHBondContact CG2-OE2 3.26Å; S199-E202 PolarHBondContact O-N 3.46Å; S200-E202 VanDerWaalsContact C-N 3.34Å; S200-E202 PolarHBondContact O-N 3.35Å; E202-D205 PolarHBondContact O-N 3.47Å; E202-V206 WeakPolarHBondContact O-CB 3.28Å; E202-V206 VanDerWaalsContact O-CG2 3.31Å; E202-V206 WeakPolarHBondContact O-CG2 3.32Å; E202-V206 PolarHBondContact O-N 2.84Å
203	I	97.6	Very high	95.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-41.8	173.7	-62.4	-50.8	0	0	0	111.7	V160 I163 F190 I198 S199 S200 Q201 D205 V206 V207 V231	V160-I203 HydrophobicContact CG2-CD1 4.39Å; I163-I203 HydrophobicContact CB-CD1 4.39Å; I163-I203 HydrophobicContact CD1-CD1 3.6Å; I163-I203 HydrophobicContact CG2-CD1 4.13Å; F190-I203 HydrophobicContact CD2-CB 4.25Å; F190-I203 HydrophobicContact CD2-CG1 4.38Å; F190-I203 HydrophobicContact CD2-CG2 3.98Å; F190-I203 HydrophobicContact CE2-CB 4.32Å; F190-I203 HydrophobicContact CE2-CG1 3.96Å; F190-I203 HydrophobicContact CE2-CG2 4.38Å; I198-I203 HydrophobicContact CG2-CD1 3.65Å; I198-I203 HydrophobicContact CG2-CG1 3.42Å; I198-I203 VanDerWaalsContact CG2-CG1 3.42Å; S199-I203 WeakPolarHBondContact O-CG1 3.29Å; S199-I203 PolarHBondContact O-N 3.49Å; S200-I203 PolarHBondContact O-N 2.97Å; Q201-I203 VanDerWaalsContact C-N 3.28Å; Q201-I203 PolarHBondContact O-N 3.37Å; I203-D205 VanDerWaalsContact C-N 3.32Å; I203-D205 PolarHBondContact O-N 3.33Å; I203-V206 PolarHBondContact O-N 3.36Å; I203-V207 HydrophobicContact CG2-CG2 4.27Å; I203-V207 VanDerWaalsContact O-CG2 3.27Å; I203-V207 WeakPolarHBondContact O-CG2 3.43Å; I203-V207 PolarHBondContact O-N 2.91Å; I203-V231 HydrophobicContact CG2-CB 4.17Å; I203-V231 HydrophobicContact CG2-CG1 3.81Å; I203-V231 HydrophobicContact CG2-CG2 4.02Å
204	Y	97.8	Very high	95.6	Very high	80 Å²	80	62 Å²	62	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-48.1	174.4	-76.3	-66.7	0	0	0	111.1	V188 F190 S200 Q201 V206 V207 V208	V188-Y204 HydrophobicContact CB-CD1 3.62Å; V188-Y204 HydrophobicContact CB-CE1 3.62Å; V188-Y204 HydrophobicContact CG1-CD1 3.83Å; V188-Y204 HydrophobicContact CG1-CE1 3.86Å; V188-Y204 HydrophobicContact CG2-CD1 4.32Å; V188-Y204 WeakPolarHBondContact O-CE1 3.5Å; F190-Y204 HydrophobicContact CB-CE2 4.42Å; S200-Y204 WeakPolarHBondContact O-CD2 3.39Å; S200-Y204 PolarHBondContact O-N 3.37Å; Q201-Y204 WeakPolarHBondContact O-CB 3.32Å; Q201-Y204 PolarHBondContact O-N 3.29Å; Q201-Y204 VanDerWaalsContact O-N 3.12Å; Y204-V206 PolarHBondContact O-N 3.02Å; Y204-V207 PolarHBondContact O-N 2.84Å; Y204-V208 WeakPolarHBondContact O-CB 3.49Å; Y204-V208 WeakPolarHBondContact O-CG2 3.28Å; Y204-V208 PolarHBondContact O-N 2.91Å
205	D	97.5	Very high	95.6	Very high	84 Å²	84	56.4 Å²	56.4	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-43.2	-178.4	-64.2	-23.3	0	0	0	111.5	Q201 E202 I203 T209	Q201-D205 PolarHBondContact NE2-OD1 3.29Å; Q201-D205 VanDerWaalsContact O-CG 3.24Å; Q201-D205 PolarHBondContact O-N 2.98Å; E202-D205 PolarHBondContact O-N 3.47Å; I203-D205 VanDerWaalsContact C-N 3.32Å; I203-D205 PolarHBondContact O-N 3.33Å; D205-T209 VanDerWaalsContact O-CB 3.26Å; D205-T209 WeakPolarHBondContact O-CB 3.28Å; D205-T209 PolarHBondContact O-N 2.62Å; D205-T209 PolarHBondContact O-OG1 3.38Å
206	V	97.7	Very high	95.6	Very high	26 Å²	26	60.4 Å²	60.4	16%	0.158	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-52.7	175	163.9	0	0	0	0	111.3	V160 A164 I167 E202 I203 Y204 V208 T209 E210	V160-V206 HydrophobicContact CG1-CG2 3.76Å; A164-V206 VanDerWaalsContact CA-CG1 3.48Å; A164-V206 HydrophobicContact CB-CG1 3.51Å; A164-V206 HydrophobicContact CB-CG2 4.48Å; I167-V206 HydrophobicContact CG2-CG1 4.32Å; E202-V206 WeakPolarHBondContact O-CB 3.28Å; E202-V206 VanDerWaalsContact O-CG2 3.31Å; E202-V206 WeakPolarHBondContact O-CG2 3.32Å; E202-V206 PolarHBondContact O-N 2.84Å; I203-V206 PolarHBondContact O-N 3.36Å; Y204-V206 PolarHBondContact O-N 3.02Å; V206-V208 PolarHBondContact O-N 3.23Å; V206-T209 PolarHBondContact O-N 3.07Å; V206-E210 WeakPolarHBondContact O-CG 3.33Å; V206-E210 PolarHBondContact O-N 3.05Å
207	V	97.6	Very high	95.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-42.1	-176.2	176.4	0	0	0	0	111	I167 V188 I203 Y204 T209 E210 I211 I229 V231	I167-V207 HydrophobicContact CG1-CG2 4.32Å; V188-V207 HydrophobicContact CG1-CB 4.36Å; V188-V207 HydrophobicContact CG1-CG1 4.34Å; V188-V207 HydrophobicContact CG1-CG2 4.31Å; V188-V207 HydrophobicContact CG2-CB 3.93Å; V188-V207 HydrophobicContact CG2-CG1 3.46Å; V188-V207 VanDerWaalsContact CG2-CG1 3.46Å; I203-V207 HydrophobicContact CG2-CG2 4.27Å; I203-V207 VanDerWaalsContact O-CG2 3.27Å; I203-V207 WeakPolarHBondContact O-CG2 3.43Å; I203-V207 PolarHBondContact O-N 2.91Å; Y204-V207 PolarHBondContact O-N 2.84Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 3.18Å; V207-E210 PolarHBondContact O-N 3.35Å; V207-I211 HydrophobicContact CG1-CD1 3.84Å; V207-I211 HydrophobicContact CG1-CG1 4.49Å; V207-I211 WeakPolarHBondContact O-CG1 3.49Å; V207-I211 PolarHBondContact O-N 2.87Å; V207-I229 HydrophobicContact CG1-CB 4.12Å; V207-I229 HydrophobicContact CG1-CG1 4.23Å; V207-I229 HydrophobicContact CG1-CG2 3.81Å; V207-V231 HydrophobicContact CG2-CG2 4.22Å
208	V	97.2	Very high	96.1	Very high	22 Å²	22	56.6 Å²	56.6	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-40.9	176.8	170.1	0	0	0	0	111	F186 Y204 V206 I211 R212 V220	F186-V208 HydrophobicContact CE2-CG2 3.97Å; F186-V208 HydrophobicContact CZ-CG2 4.21Å; Y204-V208 WeakPolarHBondContact O-CB 3.49Å; Y204-V208 WeakPolarHBondContact O-CG2 3.28Å; Y204-V208 PolarHBondContact O-N 2.91Å; V206-V208 PolarHBondContact O-N 3.23Å; V208-I211 PolarHBondContact O-N 3.4Å; V208-R212 HydrophobicContact CG1-CG 4.36Å; V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 VanDerWaalsContact O-CG 3.3Å; V208-R212 WeakPolarHBondContact O-CG 3.39Å; V208-R212 PolarHBondContact O-N 3.14Å; V208-V220 HydrophobicContact CG2-CG2 4.19Å
209	T	97.2	Very high	96.2	Very high	79 Å²	79	63.1 Å²	63.1	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-46.6	178.2	-61.1	0	0	0	0	111.6	D205 V206 V207 I211 R212 T213	D205-T209 VanDerWaalsContact O-CB 3.26Å; D205-T209 WeakPolarHBondContact O-CB 3.28Å; D205-T209 PolarHBondContact O-N 2.62Å; D205-T209 PolarHBondContact O-OG1 3.38Å; V206-T209 PolarHBondContact O-N 3.07Å; V207-T209 VanDerWaalsContact C-N 3.32Å; V207-T209 PolarHBondContact O-N 3.18Å; T209-I211 PolarHBondContact O-N 3.38Å; T209-R212 PolarHBondContact O-N 2.53Å; T209-T213 PolarHBondContact O-N 2.74Å; T209-T213 PolarHBondContact O-OG1 3.36Å
210	E	96.7	Very high	96.3	Very high	52 Å²	52	63.9 Å²	63.9	24%	0.243	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-41.8	178.2	-68.6	-64.1	146.7	0	0	111.8	I167 G168 L171 V206 V207 T213 L214	I167-E210 HydrophobicContact CG2-CB 4.36Å; I167-E210 HydrophobicContact CG2-CG 3.97Å; G168-E210 WeakPolarHBondContact CA-OE2 3.27Å; L171-E210 HydrophobicContact CD1-CB 3.79Å; V206-E210 WeakPolarHBondContact O-CG 3.33Å; V206-E210 PolarHBondContact O-N 3.05Å; V207-E210 PolarHBondContact O-N 3.35Å; E210-T213 WeakPolarHBondContact O-CB 3.42Å; E210-T213 PolarHBondContact O-N 3Å; E210-L214 PolarHBondContact O-N 2.99Å
211	I	96.5	Very high	96.4	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-45.7	175.7	-68.5	169.2	0	0	0	111	L171 F175 F186 V207 V208 T209 T213 L214 S215 I229	L171-I211 HydrophobicContact CD1-CG1 3.6Å; L171-I211 HydrophobicContact CD2-CG1 3.99Å; L171-I211 HydrophobicContact CG-CG1 4.47Å; F175-I211 HydrophobicContact CE1-CG2 4.06Å; F175-I211 HydrophobicContact CZ-CG1 4.39Å; F175-I211 HydrophobicContact CZ-CG2 4.1Å; F186-I211 HydrophobicContact CD1-CD1 4.35Å; F186-I211 HydrophobicContact CD1-CG2 3.97Å; F186-I211 HydrophobicContact CD2-CD1 3.41Å; F186-I211 VanDerWaalsContact CD2-CD1 3.41Å; F186-I211 HydrophobicContact CE1-CB 4.45Å; F186-I211 HydrophobicContact CE1-CD1 4.4Å; F186-I211 HydrophobicContact CE1-CG2 3.65Å; F186-I211 HydrophobicContact CE2-CD1 3.46Å; F186-I211 VanDerWaalsContact CE2-CD1 3.46Å; F186-I211 HydrophobicContact CG-CD1 3.87Å; F186-I211 HydrophobicContact CZ-CB 4.23Å; F186-I211 HydrophobicContact CZ-CD1 3.97Å; F186-I211 HydrophobicContact CZ-CG2 3.93Å; V207-I211 HydrophobicContact CG1-CD1 3.84Å; V207-I211 HydrophobicContact CG1-CG1 4.49Å; V207-I211 WeakPolarHBondContact O-CG1 3.49Å; V207-I211 PolarHBondContact O-N 2.87Å; V208-I211 PolarHBondContact O-N 3.4Å; T209-I211 PolarHBondContact O-N 3.38Å; I211-T213 PolarHBondContact O-N 2.9Å; I211-L214 PolarHBondContact O-N 3.32Å; I211-L214 VanDerWaalsContact O-N 3.08Å; I211-S215 PolarHBondContact O-N 3.04Å; I211-I229 HydrophobicContact CD1-CD1 3.61Å; I211-I229 HydrophobicContact CD1-CG1 4.02Å
212	R	95.5	Very high	96.3	Very high	138 Å²	138	64.2 Å²	64.2	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-25.6	-179.9	-76.4	179.7	176.7	164.5	1	113.3	V208 T209 L214 P216	V208-R212 HydrophobicContact CG1-CG 4.36Å; V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 VanDerWaalsContact O-CG 3.3Å; V208-R212 WeakPolarHBondContact O-CG 3.39Å; V208-R212 PolarHBondContact O-N 3.14Å; T209-R212 PolarHBondContact O-N 2.53Å; R212-L214 VanDerWaalsContact C-N 3.29Å; R212-P216 WeakPolarHBondContact O-CA 3.35Å; R212-P216 WeakPolarHBondContact O-CG 3.14Å
213	T	95.4	Very high	96	Very high	101 Å²	101	70.5 Å²	70.5	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-66.6	-33.7	173.2	-58.7	0	0	0	0	111.4	T209 E210 I211	T209-T213 PolarHBondContact O-N 2.74Å; T209-T213 PolarHBondContact O-OG1 3.36Å; E210-T213 WeakPolarHBondContact O-CB 3.42Å; E210-T213 PolarHBondContact O-N 3Å; I211-T213 PolarHBondContact O-N 2.9Å
214	L	94.6	Very high	95.8	Very high	49 Å²	49	74.3 Å²	74.3	26%	0.257	38%	0.377	S	S	.	.	H	α-helix	trans	-92.4	-37.3	-179.6	-62.9	170.6	0	0	0	113.1	L171 K172 F175 E210 I211 R212	L171-L214 HydrophobicContact CB-CD1 3.57Å; K172-L214 HydrophobicContact CG-CD1 4.23Å; K172-L214 HydrophobicContact CG-CD2 3.92Å; F175-L214 HydrophobicContact CB-CD1 4.44Å; E210-L214 PolarHBondContact O-N 2.99Å; I211-L214 PolarHBondContact O-N 3.32Å; I211-L214 VanDerWaalsContact O-N 3.08Å; R212-L214 VanDerWaalsContact C-N 3.29Å
215	S	94.8	Very high	95.7	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.007	36%	0.363	C	S	.	.			trans	-139.5	83.4	-177.3	-177.6	0	0	0	0	109.4	I211 E217 S218	I211-S215 PolarHBondContact O-N 3.04Å; S215-E217 PolarHBondContact O-N 2.7Å; S215-E217 VanDerWaalsContact O-N 3.13Å; S215-S218 WeakPolarHBondContact CB-OG 3.3Å; S215-S218 WeakPolarHBondContact O-CB 3.49Å; S215-S218 PolarHBondContact O-N 2.92Å; S215-S218 VanDerWaalsContact O-N 3.09Å; S215-S218 PolarHBondContact OG-OG 2.89Å
216	P	94.9	Very high	95.6	Very high	101 Å²	101	70.4 Å²	70.4	66%	0.656	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.5	-177.2	-25.3	33.5	0	0	0	113.8	R212	R212-P216 WeakPolarHBondContact O-CA 3.35Å; R212-P216 WeakPolarHBondContact O-CG 3.14Å
217	E	95.6	Very high	95.6	Very high	116 Å²	116	69.5 Å²	69.5	54%	0.542	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.5	-177.2	-59.9	-130.2	101.7	0	0	113.7	K183 S215	K183-E217 HydrophobicContact CB-CB 4.33Å; K183-E217 HydrophobicContact CD-CB 3.91Å; K183-E217 WeakPolarHBondContact CD-OE2 3.1Å; K183-E217 WeakPolarHBondContact CE-OE2 3.48Å; K183-E217 HydrophobicContact CG-CB 3.93Å; K183-E217 IonicContact NZ-OE2 3.97Å; K183-E217 PolarHBondContact NZ-OE2 2.82Å; S215-E217 PolarHBondContact O-N 2.7Å; S215-E217 VanDerWaalsContact O-N 3.13Å
218	S	95.3	Very high	95.6	Very high	6 Å²	6	69.7 Å²	69.7	4%	0.042	35%	0.353	C	S	.	.			trans	-64.3	135.7	174.1	-83	0	0	0	0	111.6	P184 S215	P184-S218 VanDerWaalsContact CD-OG 3.24Å; P184-S218 WeakPolarHBondContact CD-OG 3.47Å; P184-S218 WeakPolarHBondContact CG-OG 3.49Å; P184-S218 WeakPolarHBondContact O-CA 3.41Å; P184-S218 VanDerWaalsContact O-CB 3.25Å; P184-S218 WeakPolarHBondContact O-CB 3.46Å; P184-S218 PolarHBondContact O-OG 2.68Å; S215-S218 WeakPolarHBondContact CB-OG 3.3Å; S215-S218 WeakPolarHBondContact O-CB 3.49Å; S215-S218 PolarHBondContact O-N 2.92Å; S215-S218 VanDerWaalsContact O-N 3.09Å; S215-S218 PolarHBondContact OG-OG 2.89Å
219	K	95.5	Very high	95.6	Very high	158 Å²	158	68.6 Å²	68.6	69%	0.687	35%	0.346	S	S	*	.			trans	-109.3	139.5	-176.3	-64.2	-177.2	-178	176.9	0	111.9	S185 F186 C221	S185-K219 CarbonylContact C-O 3.54Å; S185-K219 WeakPolarHBondContact CA-O 3.32Å; F186-K219 WeakPolarHBondContact CD1-O 3.4Å; F186-K219 PolarHBondContact N-O 2.94Å; K219-C221 PolarHBondContact O-N 3.4Å
220	V	97.3	Very high	95.7	Very high	75 Å²	75	64.9 Å²	64.9	46%	0.455	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-69.8	126.7	168.7	-179.2	0	0	0	0	108.6	F186 V208 L222	F186-V220 HydrophobicContact CE1-CG2 4.1Å; F186-V220 HydrophobicContact CE2-CG2 3.73Å; F186-V220 HydrophobicContact CZ-CG2 3.48Å; F186-V220 VanDerWaalsContact CZ-CG2 3.48Å; F186-V220 CarbonylContact O-C 3.55Å; F186-V220 WeakPolarHBondContact O-CA 3.32Å; V208-V220 HydrophobicContact CG2-CG2 4.19Å; V220-L222 HydrophobicContact CG1-CD2 4.13Å
221	C	96.7	Very high	95.7	Very high	34 Å²	34	62.4 Å²	62.4	23%	0.23	31%	0.312	C	S	.	.			trans	-135.8	115.6	175.4	179.7	0	0	0	0	109.4	F186 A187 K219 P225	F186-C221 PolarHBondContact O-N 2.87Å; A187-C221 WeakPolarHBondContact CB-O 3.32Å; K219-C221 PolarHBondContact O-N 3.4Å; C221-P225 HydrophobicContact CB-CB 4.3Å; C221-P225 VanDerWaalsContact O-CB 3.22Å; C221-P225 WeakPolarHBondContact O-CB 3.36Å; C221-P225 WeakPolarHBondContact O-CD 3.49Å; C221-P225 WeakPolarHBondContact O-CG 3.31Å
222	L	93.6	Very high	95.8	Very high	135 Å²	135	62.5 Å²	62.5	71%	0.707	31%	0.313	S	S	*	.	S	Bend	trans	-86.1	-18	-175.8	-58.5	-179.5	0	0	0	114	A187 V220	A187-L222 HydrophobicContact CB-CD2 4.44Å; V220-L222 HydrophobicContact CG1-CD2 4.13Å
223	R	91	Very high	95.8	Very high	222 Å²	222	56 Å²	56	84%	0.838	29%	0.288	S	S	*	.	S	Bend	trans	-93.1	-51.2	-170.8	-161.9	177.4	-156.3	-178.9	5.6	112.9	N247	R223-N247 PolarHBondContact O-ND2 2.86Å
224	S	92.9	Very high	95.9	Very high	81 Å²	81	51.3 Å²	51.3	57%	0.566	26%	0.259	S	S	*	.	S	Bend	trans	-142.1	62.3	-178.5	58.9	0	0	0	0	110.3
225	P	96.2	Very high	95.9	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	27%	0.267	C	S	.	.			trans	-68.7	150	172.4	30.4	-34.9	0	0	0	110.7	S185 A187 C221 Y228	S185-P225 WeakPolarHBondContact OG-CA 3.47Å; A187-P225 HydrophobicContact CB-CB 4.06Å; A187-P225 HydrophobicContact CB-CG 3.65Å; C221-P225 HydrophobicContact CB-CB 4.3Å; C221-P225 VanDerWaalsContact O-CB 3.22Å; C221-P225 WeakPolarHBondContact O-CB 3.36Å; C221-P225 WeakPolarHBondContact O-CD 3.49Å; C221-P225 WeakPolarHBondContact O-CG 3.31Å; P225-Y228 WeakPolarHBondContact CD-OH 3.34Å; P225-Y228 HydrophobicContact CG-CD1 4.04Å; P225-Y228 HydrophobicContact CG-CD2 4.28Å; P225-Y228 HydrophobicContact CG-CE1 3.47Å; P225-Y228 VanDerWaalsContact CG-CE1 3.47Å; P225-Y228 HydrophobicContact CG-CE2 3.74Å; P225-Y228 HydrophobicContact CG-CG 4.42Å
226	K	95.1	Very high	95.9	Very high	77 Å²	77	58.5 Å²	58.5	34%	0.335	30%	0.297	S	S	.	.	S	Bend	trans	-69.5	-46.7	168.3	-178	171.8	177.9	170.2	0	110.7	P184 S185	P184-K226 HydrophobicContact CB-CD 4.3Å; S185-K226 PolarHBondContact O-N 2.9Å; S185-K226 PolarHBondContact OG-N 3.29Å
227	L	97.2	Very high	96.1	Very high	6 Å²	6	54 Å²	54	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140	-176.6	-60	173.4	0	0	0	112	F175 L179 P184 S185 F186 A187 E244	F175-L227 HydrophobicContact CE1-CD1 4.35Å; F175-L227 HydrophobicContact CE2-CD1 3.81Å; F175-L227 HydrophobicContact CZ-CD1 3.56Å; L179-L227 HydrophobicContact CD1-CD1 4.46Å; L179-L227 HydrophobicContact CD2-CD1 3.91Å; L179-L227 HydrophobicContact CD2-CD2 4.5Å; L179-L227 HydrophobicContact CG-CD1 4.46Å; P184-L227 HydrophobicContact CB-CD1 3.8Å; P184-L227 HydrophobicContact CB-CG 4.26Å; P184-L227 HydrophobicContact CG-CD1 3.9Å; S185-L227 PolarHBondContact O-N 3.13Å; F186-L227 CarbonylContact C-O 3.53Å; F186-L227 WeakPolarHBondContact CA-O 3.39Å; F186-L227 HydrophobicContact CB-CB 4.13Å; A187-L227 PolarHBondContact N-O 2.91Å; L227-E244 HydrophobicContact CD2-CG 3.98Å
228	Y	97.9	Very high	96.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.1	168.9	-64	-99	0	0	0	109.3	A187 V189 P225 V242 L243 Y246 N247	A187-Y228 HydrophobicContact CB-CD1 4.24Å; A187-Y228 HydrophobicContact CB-CE1 4.45Å; A187-Y228 WeakPolarHBondContact O-CA 3.28Å; V189-Y228 HydrophobicContact CG2-CD1 3.89Å; P225-Y228 WeakPolarHBondContact CD-OH 3.34Å; P225-Y228 HydrophobicContact CG-CD1 4.04Å; P225-Y228 HydrophobicContact CG-CD2 4.28Å; P225-Y228 HydrophobicContact CG-CE1 3.47Å; P225-Y228 VanDerWaalsContact CG-CE1 3.47Å; P225-Y228 HydrophobicContact CG-CE2 3.74Å; P225-Y228 HydrophobicContact CG-CG 4.42Å; Y228-V242 WeakPolarHBondContact O-CA 3.43Å; Y228-L243 HydrophobicContact CD2-CD1 4.46Å; Y228-L243 PolarHBondContact N-O 2.86Å; Y228-L243 PolarHBondContact O-N 3.46Å; Y228-Y246 AromaticContact CD1-CD1 3.86Å; Y228-Y246 HydrophobicContact CD1-CD1 3.86Å; Y228-Y246 HydrophobicContact CD1-CG 4.06Å; Y228-Y246 VanDerWaalsContact CD2-CB 3.43Å; Y228-Y246 HydrophobicContact CE1-CD1 4Å; Y228-Y246 HydrophobicContact CE1-CG 4.36Å; Y228-Y246 VanDerWaalsContact CG-CB 3.41Å; Y228-Y246 HydrophobicContact CG-CD1 4.44Å; Y228-Y246 HydrophobicContact CG-CG 4.18Å; Y228-N247 WeakPolarHBondContact OH-CB 3.48Å; Y228-N247 PolarHBondContact OH-ND2 3.21Å
229	I	98.2	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	103.7	172.9	-59.9	81.5	0	0	0	106.9	I167 F186 A187 V188 V189 V207 I211 V231 V242	I167-I229 HydrophobicContact CD1-CG2 3.7Å; I167-I229 HydrophobicContact CG1-CG2 4.34Å; F186-I229 HydrophobicContact CB-CD1 3.83Å; F186-I229 HydrophobicContact CD2-CD1 3.97Å; F186-I229 HydrophobicContact CG-CD1 4.28Å; A187-I229 PolarHBondContact O-N 3.15Å; V188-I229 WeakPolarHBondContact CA-O 3.41Å; V188-I229 HydrophobicContact CG2-CB 4.48Å; V189-I229 PolarHBondContact N-O 2.92Å; V207-I229 HydrophobicContact CG1-CB 4.12Å; V207-I229 HydrophobicContact CG1-CG1 4.23Å; V207-I229 HydrophobicContact CG1-CG2 3.81Å; I211-I229 HydrophobicContact CD1-CD1 3.61Å; I211-I229 HydrophobicContact CD1-CG1 4.02Å; I229-V231 HydrophobicContact CG2-CG2 4.29Å; I229-V242 HydrophobicContact CG1-CG2 4.35Å
230	L	98.1	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.4	177.7	-74.9	168.7	0	0	0	109.7	V189 L240 S241 L243 Y246	V189-L230 HydrophobicContact CB-CD2 3.67Å; V189-L230 HydrophobicContact CG1-CD2 3.62Å; V189-L230 HydrophobicContact CG2-CD2 4.43Å; L230-L240 WeakPolarHBondContact O-CA 3.37Å; L230-S241 WeakPolarHBondContact CB-OG 3.46Å; L230-S241 PolarHBondContact N-O 3.47Å; L230-S241 PolarHBondContact O-N 3.31Å; L230-L243 HydrophobicContact CD1-CD2 3.44Å; L230-L243 VanDerWaalsContact CD1-CD2 3.44Å; L230-L243 HydrophobicContact CD1-CG 4.17Å; L230-L243 HydrophobicContact CG-CD2 4.44Å; L230-Y246 HydrophobicContact CD1-CD2 4.37Å; L230-Y246 HydrophobicContact CD1-CE2 4.15Å; L230-Y246 HydrophobicContact CD2-CD2 4.36Å; L230-Y246 HydrophobicContact CD2-CE1 4.41Å; L230-Y246 HydrophobicContact CD2-CE2 3.78Å; L230-Y246 HydrophobicContact CG-CE2 4.5Å
231	V	98.1	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	98.8	172.3	-172.5	0	0	0	0	108.2	V188 V189 F190 Q191 I203 V207 I229 C238 L240	V188-V231 HydrophobicContact CG1-CG2 4.18Å; V189-V231 PolarHBondContact O-N 2.99Å; F190-V231 WeakPolarHBondContact CA-O 3.42Å; F190-V231 HydrophobicContact CD2-CB 4.2Å; F190-V231 HydrophobicContact CD2-CG1 4.08Å; F190-V231 HydrophobicContact CE2-CG1 4.46Å; Q191-V231 PolarHBondContact N-O 2.98Å; I203-V231 HydrophobicContact CG2-CB 4.17Å; I203-V231 HydrophobicContact CG2-CG1 3.81Å; I203-V231 HydrophobicContact CG2-CG2 4.02Å; V207-V231 HydrophobicContact CG2-CG2 4.22Å; I229-V231 HydrophobicContact CG2-CG2 4.29Å; V231-C238 VanDerWaalsContact CG1-SG 3.57Å; V231-L240 HydrophobicContact CB-CD2 4.14Å; V231-L240 HydrophobicContact CG1-CD2 3.86Å; V231-L240 HydrophobicContact CG2-CD2 3.79Å
232	N	97.2	Very high	96.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.1	-178.4	-80.8	-83.6	0	0	0	110.7	Q191 R193 C239	Q191-N232 WeakPolarHBondContact CB-OD1 3.45Å; Q191-N232 CarbonylContact O-C 3.5Å; Q191-N232 WeakPolarHBondContact O-CA 3.26Å; Q191-N232 PolarHBondContact OE1-OD1 3.42Å; R193-N232 PolarHBondContact NH1-OD1 3.25Å; N232-C239 HydrophobicContact CB-CB 4.19Å; N232-C239 PolarHBondContact N-O 3.48Å; N232-C239 PolarHBondContact O-N 2.93Å
233	I	97	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.8	174.6	-59.2	171.4	0	0	0	110.1	A158 F190 Q191 H192 R193 N195 I198 V237 C238	A158-I233 HydrophobicContact CB-CG2 3.87Å; F190-I233 HydrophobicContact CE2-CD1 3.48Å; F190-I233 VanDerWaalsContact CE2-CD1 3.48Å; F190-I233 HydrophobicContact CE2-CG1 4.22Å; F190-I233 HydrophobicContact CZ-CD1 3.8Å; Q191-I233 PolarHBondContact O-N 2.88Å; H192-I233 CarbonylContact C-O 3.57Å; H192-I233 WeakPolarHBondContact CA-O 3.27Å; H192-I233 HydrophobicContact CB-CB 4.12Å; R193-I233 PolarHBondContact N-O 3Å; N195-I233 HydrophobicContact CB-CG2 3.54Å; I198-I233 HydrophobicContact CB-CD1 3.88Å; I198-I233 HydrophobicContact CD1-CD1 3.66Å; I198-I233 HydrophobicContact CG1-CD1 4.23Å; I198-I233 HydrophobicContact CG2-CD1 3.96Å; I233-V237 WeakPolarHBondContact CA-O 3.26Å; I233-C238 HydrophobicContact CG1-CB 4.21Å
234	V	95.8	Very high	96.9	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	103.6	179.5	-173.3	0	0	0	0	107.4	L31 F39 V111 T236 V237	L31-V234 HydrophobicContact CD2-CB 4.09Å; L31-V234 HydrophobicContact CD2-CG1 4.22Å; F39-V234 HydrophobicContact CD2-CG2 4.07Å; F39-V234 HydrophobicContact CE2-CB 4.38Å; F39-V234 HydrophobicContact CE2-CG1 4.16Å; F39-V234 HydrophobicContact CE2-CG2 3.34Å; F39-V234 HydrophobicContact CZ-CG2 3.83Å; V111-V234 HydrophobicContact CB-CG1 4.44Å; V111-V234 HydrophobicContact CG2-CG1 3.62Å; V234-T236 PolarHBondContact O-N 2.77Å; V234-V237 PolarHBondContact N-O 3.38Å; V234-V237 PolarHBondContact O-N 3.44Å
235	K	95.1	Very high	97	Very high	95 Å²	95	21.7 Å²	21.7	41%	0.413	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-104	-171	-59	179.5	67.7	178.5	0	111.8	T109 V111 R193 N194 N195	T109-K235 WeakPolarHBondContact O-CD 3.16Å; V111-K235 HydrophobicContact CG2-CD 4.42Å; V111-K235 HydrophobicContact CG2-CG 3.99Å; R193-K235 PolarHBondContact O-N 3.37Å; N194-K235 HydrophobicContact CB-CG 3.97Å; N195-K235 WeakPolarHBondContact CB-O 3.06Å; N195-K235 PolarHBondContact ND2-O 2.92Å
236	T	96	Very high	96.9	Very high	107 Å²	107	21.6 Å²	21.6	66%	0.656	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	4.2	-175.7	55.8	0	0	0	0	112.9	A158 V234	A158-T236 VanDerWaalsContact CB-O 3.31Å; A158-T236 WeakPolarHBondContact CB-O 3.31Å; A158-T236 PolarHBondContact N-O 2.83Å; V234-T236 PolarHBondContact O-N 2.77Å
237	V	97.4	Very high	96.9	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.8	-179.4	-178	0	0	0	0	109.8	L31 C156 I233 V234	L31-V237 HydrophobicContact CD2-CB 4.18Å; L31-V237 HydrophobicContact CD2-CG1 4.21Å; L31-V237 HydrophobicContact CG-CB 4.18Å; L31-V237 HydrophobicContact CG-CG1 4.04Å; L31-V237 HydrophobicContact CG-CG2 4.33Å; L31-V237 WeakPolarHBondContact O-CG2 3.28Å; C156-V237 WeakPolarHBondContact O-CA 3.11Å; I233-V237 WeakPolarHBondContact CA-O 3.26Å; V234-V237 PolarHBondContact N-O 3.38Å; V234-V237 PolarHBondContact O-N 3.44Å
238	C	97.9	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.7	172.9	179.8	0	0	0	0	109.5	S155 C156 I163 V231 I233	S155-C238 CarbonylContact C-O 3.58Å; S155-C238 WeakPolarHBondContact CA-O 3.26Å; C156-C238 PolarHBondContact N-O 3.28Å; C156-C238 PolarHBondContact O-N 3.46Å; I163-C238 HydrophobicContact CD1-CB 4.06Å; I163-C238 HydrophobicContact CG1-CB 3.95Å; V231-C238 VanDerWaalsContact CG1-SG 3.57Å; I233-C238 HydrophobicContact CG1-CB 4.21Å
239	C	98	Very high	96.6	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.3	176.3	-63.3	0	0	0	0	109.5	C152 N232	C152-C239 HydrophobicContact CB-CB 3.92Å; C152-C239 WeakPolarHBondContact SG-CB 3.47Å; N232-C239 HydrophobicContact CB-CB 4.19Å; N232-C239 PolarHBondContact N-O 3.48Å; N232-C239 PolarHBondContact O-N 2.93Å
240	L	98.4	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.9	-174.9	-61.6	169.7	0	0	0	111	Q153 I154 I163 A166 I167 L170 L230 V231	Q153-L240 PolarHBondContact N-O 3.02Å; I154-L240 HydrophobicContact CG2-CB 3.75Å; I154-L240 HydrophobicContact CG2-CD1 4.03Å; I154-L240 HydrophobicContact CG2-CG 4.43Å; I154-L240 PolarHBondContact N-O 2.98Å; I154-L240 PolarHBondContact O-N 3.32Å; I163-L240 HydrophobicContact CG2-CD2 4.41Å; A166-L240 HydrophobicContact CB-CD1 3.7Å; I167-L240 HydrophobicContact CB-CD1 4.17Å; I167-L240 HydrophobicContact CD1-CD2 4.46Å; L170-L240 HydrophobicContact CD2-CB 4.11Å; L230-L240 WeakPolarHBondContact O-CA 3.37Å; V231-L240 HydrophobicContact CB-CD2 4.14Å; V231-L240 HydrophobicContact CG1-CD2 3.86Å; V231-L240 HydrophobicContact CG2-CD2 3.79Å
241	S	98.1	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150.6	169.3	48.2	0	0	0	0	112.1	P151 L230	P151-S241 VanDerWaalsContact O-CB 3.23Å; P151-S241 WeakPolarHBondContact O-CB 3.5Å; P151-S241 PolarHBondContact O-OG 3.23Å; L230-S241 WeakPolarHBondContact CB-OG 3.46Å; L230-S241 PolarHBondContact N-O 3.47Å; L230-S241 PolarHBondContact O-N 3.31Å
242	V	97.7	Very high	96.3	Very high	10 Å²	10	34.5 Å²	34.5	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.1	172.7	-177.8	0	0	0	0	107.8	L170 L171 K174 Y228 I229	L170-V242 HydrophobicContact CD2-CG2 3.85Å; L170-V242 HydrophobicContact CG-CG2 4.05Å; L171-V242 HydrophobicContact CD2-CG2 3.96Å; K174-V242 HydrophobicContact CG-CB 4.4Å; Y228-V242 WeakPolarHBondContact O-CA 3.43Å; I229-V242 HydrophobicContact CG1-CG2 4.35Å
243	L	96.5	Very high	96.3	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	177.1	-174	60.8	80.5	0	0	0	112.9	V125 P151 Y228 L230 Y246 F252	V125-L243 HydrophobicContact CG1-CB 3.78Å; V125-L243 HydrophobicContact CG2-CB 4.44Å; P151-L243 HydrophobicContact CG-CD2 3.56Å; Y228-L243 HydrophobicContact CD2-CD1 4.46Å; Y228-L243 PolarHBondContact N-O 2.86Å; Y228-L243 PolarHBondContact O-N 3.46Å; L230-L243 HydrophobicContact CD1-CD2 3.44Å; L230-L243 VanDerWaalsContact CD1-CD2 3.44Å; L230-L243 HydrophobicContact CD1-CG 4.17Å; L230-L243 HydrophobicContact CG-CD2 4.44Å; L243-Y246 HydrophobicContact CD1-CD2 4.14Å; L243-Y246 HydrophobicContact CD1-CG 4.39Å; L243-F252 HydrophobicContact CD1-CE1 4.21Å; L243-F252 HydrophobicContact CD1-CE2 4.24Å; L243-F252 HydrophobicContact CD1-CZ 3.64Å; L243-F252 HydrophobicContact CD2-CD2 4.35Å; L243-F252 HydrophobicContact CD2-CE2 3.37Å; L243-F252 HydrophobicContact CD2-CZ 3.61Å; L243-F252 HydrophobicContact CG-CE2 4.42Å; L243-F252 HydrophobicContact CG-CZ 4.21Å
244	E	95.5	Very high	96.2	Very high	86 Å²	86	35.3 Å²	35.3	40%	0.402	18%	0.178	S	C	.	.	S	Bend	trans	-121.7	171.4	179.4	-57.5	-170.9	168.2	0	0	110.7	L227 Y246	L227-E244 HydrophobicContact CD2-CG 3.98Å; E244-Y246 PolarHBondContact O-N 2.87Å; E244-Y246 VanDerWaalsContact O-N 3.15Å
245	S	94.7	Very high	96.1	Very high	44 Å²	44	38.2 Å²	38.2	31%	0.308	20%	0.196	S	C	.	.			trans	59	25.5	171.8	-56.3	0	0	0	0	115.9	N247 E248 L249	S245-N247 PolarHBondContact O-N 3.25Å; S245-E248 WeakPolarHBondContact CA-OE2 3.22Å; S245-E248 PolarHBondContact O-N 3.08Å; S245-L249 WeakPolarHBondContact O-CB 3.29Å; S245-L249 WeakPolarHBondContact O-CG 3.43Å; S245-L249 PolarHBondContact O-N 2.88Å
246	Y	95.8	Very high	96	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.016	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-43.9	-174.7	-174	-112.8	0	0	0	113	L150 V189 Y228 L230 L243 E244 L249 K250 Q251 F252	L150-Y246 HydrophobicContact CD2-CE2 4.31Å; V189-Y246 HydrophobicContact CG1-CE1 4Å; V189-Y246 HydrophobicContact CG2-CD1 4.24Å; V189-Y246 HydrophobicContact CG2-CE1 4.12Å; Y228-Y246 AromaticContact CD1-CD1 3.86Å; Y228-Y246 HydrophobicContact CD1-CD1 3.86Å; Y228-Y246 HydrophobicContact CD1-CG 4.06Å; Y228-Y246 VanDerWaalsContact CD2-CB 3.43Å; Y228-Y246 HydrophobicContact CE1-CD1 4Å; Y228-Y246 HydrophobicContact CE1-CG 4.36Å; Y228-Y246 VanDerWaalsContact CG-CB 3.41Å; Y228-Y246 HydrophobicContact CG-CD1 4.44Å; Y228-Y246 HydrophobicContact CG-CG 4.18Å; L230-Y246 HydrophobicContact CD1-CD2 4.37Å; L230-Y246 HydrophobicContact CD1-CE2 4.15Å; L230-Y246 HydrophobicContact CD2-CD2 4.36Å; L230-Y246 HydrophobicContact CD2-CE1 4.41Å; L230-Y246 HydrophobicContact CD2-CE2 3.78Å; L230-Y246 HydrophobicContact CG-CE2 4.5Å; L243-Y246 HydrophobicContact CD1-CD2 4.14Å; L243-Y246 HydrophobicContact CD1-CG 4.39Å; E244-Y246 PolarHBondContact O-N 2.87Å; E244-Y246 VanDerWaalsContact O-N 3.15Å; Y246-L249 CarbonylContact O-C 3.53Å; Y246-K250 PolarHBondContact O-N 3.02Å; Y246-Q251 HydrophobicContact CD1-CB 4.5Å; Y246-Q251 HydrophobicContact CD1-CG 4.3Å; Y246-Q251 HydrophobicContact CE1-CB 3.77Å; Y246-Q251 HydrophobicContact CE1-CG 3.73Å; Y246-Q251 HydrophobicContact CE2-CB 4.27Å; Y246-Q251 WeakPolarHBondContact O-CA 3.48Å; Y246-Q251 PolarHBondContact O-N 3.22Å; Y246-F252 AromaticContact CD2-CD1 3.64Å; Y246-F252 HydrophobicContact CD2-CD1 3.64Å; Y246-F252 HydrophobicContact CD2-CD2 4.38Å; Y246-F252 AromaticContact CD2-CE1 3.83Å; Y246-F252 HydrophobicContact CD2-CE1 3.83Å; Y246-F252 AromaticContact CD2-CG 3.96Å; Y246-F252 HydrophobicContact CD2-CG 3.96Å; Y246-F252 HydrophobicContact CD2-CZ 4.33Å; Y246-F252 HydrophobicContact CE2-CB 4.35Å; Y246-F252 HydrophobicContact CE2-CD1 4.14Å; Y246-F252 HydrophobicContact CE2-CD2 4.48Å; Y246-F252 HydrophobicContact CE2-CG 4.04Å
247	N	94	Very high	95.7	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-38.7	-179.9	-77.1	-15.2	0	0	0	111.5	R223 Y228 S245 L249 K250	R223-N247 PolarHBondContact O-ND2 2.86Å; Y228-N247 WeakPolarHBondContact OH-CB 3.48Å; Y228-N247 PolarHBondContact OH-ND2 3.21Å; S245-N247 PolarHBondContact O-N 3.25Å; N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 PolarHBondContact O-N 3.49Å; N247-K250 PolarHBondContact O-N 3.43Å
248	E	94.1	Very high	95.6	Very high	93 Å²	93	38.3 Å²	38.3	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.1	176.9	-64.1	78.7	-179.5	0	0	111.2	S245 K250	S245-E248 WeakPolarHBondContact CA-OE2 3.22Å; S245-E248 PolarHBondContact O-N 3.08Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.85Å
249	L	95.9	Very high	95.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	28.2	174.2	-61.4	172.3	0	0	0	112.3	M129 L132 K136 S245 Y246 N247 Q251 F252 I257	M129-L249 HydrophobicContact CE-CD1 3.78Å; M129-L249 HydrophobicContact SD-CD1 3.67Å; L132-L249 HydrophobicContact CB-CD1 3.99Å; L132-L249 HydrophobicContact CB-CD2 4.1Å; L132-L249 HydrophobicContact CB-CG 4.46Å; L132-L249 HydrophobicContact CD1-CB 4.24Å; L132-L249 HydrophobicContact CD1-CD1 4.13Å; K136-L249 HydrophobicContact CB-CD2 4.46Å; K136-L249 HydrophobicContact CD-CD2 3.93Å; S245-L249 WeakPolarHBondContact O-CB 3.29Å; S245-L249 WeakPolarHBondContact O-CG 3.43Å; S245-L249 PolarHBondContact O-N 2.88Å; Y246-L249 CarbonylContact O-C 3.53Å; N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 PolarHBondContact O-N 3.49Å; L249-Q251 PolarHBondContact O-N 2.92Å; L249-F252 HydrophobicContact CB-CD1 3.78Å; L249-F252 HydrophobicContact CB-CE1 3.84Å; L249-F252 HydrophobicContact CD1-CD1 4.48Å; L249-F252 HydrophobicContact CD1-CE1 3.83Å; L249-F252 HydrophobicContact CD1-CZ 4.43Å; L249-F252 HydrophobicContact CG-CE1 4.45Å; L249-F252 VanDerWaalsContact O-CA 3.26Å; L249-F252 WeakPolarHBondContact O-CA 3.32Å; L249-F252 PolarHBondContact O-N 3.38Å; L249-I257 HydrophobicContact CB-CD1 4.3Å; L249-I257 HydrophobicContact CD2-CD1 4.23Å
250	K	96.1	Very high	95.3	Very high	113 Å²	113	42.3 Å²	42.3	49%	0.491	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	54.3	45.7	169.5	-55.4	-65.3	-171.1	-178.9	0	114	Y246 N247 E248 F252 N253 N256 I257	Y246-K250 PolarHBondContact O-N 3.02Å; N247-K250 PolarHBondContact O-N 3.43Å; E248-K250 VanDerWaalsContact C-N 3.28Å; E248-K250 PolarHBondContact O-N 2.85Å; K250-F252 PolarHBondContact O-N 3.02Å; K250-F252 VanDerWaalsContact O-N 3.15Å; K250-N253 WeakPolarHBondContact O-CB 3.41Å; K250-N253 PolarHBondContact O-N 3.22Å; K250-N256 HydrophobicContact CB-CB 4.39Å; K250-N256 WeakPolarHBondContact CG-O 3.43Å; K250-I257 HydrophobicContact CB-CG1 4.16Å; K250-I257 HydrophobicContact CG-CG1 4.12Å
251	Q	95.3	Very high	95.2	Very high	89 Å²	89	44.8 Å²	44.8	42%	0.416	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	55.8	31	-177.1	-55.4	174.8	3.5	0	0	112.3	Y246 L249 N253	Y246-Q251 HydrophobicContact CD1-CB 4.5Å; Y246-Q251 HydrophobicContact CD1-CG 4.3Å; Y246-Q251 HydrophobicContact CE1-CB 3.77Å; Y246-Q251 HydrophobicContact CE1-CG 3.73Å; Y246-Q251 HydrophobicContact CE2-CB 4.27Å; Y246-Q251 WeakPolarHBondContact O-CA 3.48Å; Y246-Q251 PolarHBondContact O-N 3.22Å; L249-Q251 PolarHBondContact O-N 2.92Å; Q251-N253 PolarHBondContact O-N 3.38Å
252	F	96.7	Very high	95	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	60.1	23.6	-178.3	-66	10.4	0	0	0	113.3	V128 M129 L132 R148 L149 L150 P151 L243 Y246 L249 K250 W254	V128-F252 HydrophobicContact CG1-CD2 3.79Å; V128-F252 HydrophobicContact CG1-CE2 3.8Å; M129-F252 HydrophobicContact SD-CE1 4.29Å; M129-F252 HydrophobicContact SD-CZ 3.66Å; L132-F252 HydrophobicContact CD1-CB 3.75Å; L132-F252 HydrophobicContact CD1-CD1 3.46Å; L132-F252 VanDerWaalsContact CD1-CD1 3.46Å; L132-F252 HydrophobicContact CD1-CD2 3.72Å; L132-F252 HydrophobicContact CD1-CE1 3.85Å; L132-F252 HydrophobicContact CD1-CE2 4.04Å; L132-F252 HydrophobicContact CD1-CG 3.37Å; L132-F252 HydrophobicContact CD1-CZ 4.11Å; R148-F252 WeakPolarHBondContact CA-O 3.37Å; L149-F252 PolarHBondContact N-O 3.36Å; L149-F252 VanDerWaalsContact N-O 3.14Å; L149-F252 WeakPolarHBondContact O-CB 3.45Å; L149-F252 WeakPolarHBondContact O-CD2 3.33Å; L150-F252 HydrophobicContact CD2-CB 4.07Å; L150-F252 HydrophobicContact CD2-CD2 4.49Å; P151-F252 HydrophobicContact CG-CE2 4.08Å; L243-F252 HydrophobicContact CD1-CE1 4.21Å; L243-F252 HydrophobicContact CD1-CE2 4.24Å; L243-F252 HydrophobicContact CD1-CZ 3.64Å; L243-F252 HydrophobicContact CD2-CD2 4.35Å; L243-F252 HydrophobicContact CD2-CE2 3.37Å; L243-F252 HydrophobicContact CD2-CZ 3.61Å; L243-F252 HydrophobicContact CG-CE2 4.42Å; L243-F252 HydrophobicContact CG-CZ 4.21Å; Y246-F252 AromaticContact CD2-CD1 3.64Å; Y246-F252 HydrophobicContact CD2-CD1 3.64Å; Y246-F252 HydrophobicContact CD2-CD2 4.38Å; Y246-F252 AromaticContact CD2-CE1 3.83Å; Y246-F252 HydrophobicContact CD2-CE1 3.83Å; Y246-F252 AromaticContact CD2-CG 3.96Å; Y246-F252 HydrophobicContact CD2-CG 3.96Å; Y246-F252 HydrophobicContact CD2-CZ 4.33Å; Y246-F252 HydrophobicContact CE2-CB 4.35Å; Y246-F252 HydrophobicContact CE2-CD1 4.14Å; Y246-F252 HydrophobicContact CE2-CD2 4.48Å; Y246-F252 HydrophobicContact CE2-CG 4.04Å; L249-F252 HydrophobicContact CB-CD1 3.78Å; L249-F252 HydrophobicContact CB-CE1 3.84Å; L249-F252 HydrophobicContact CD1-CD1 4.48Å; L249-F252 HydrophobicContact CD1-CE1 3.83Å; L249-F252 HydrophobicContact CD1-CZ 4.43Å; L249-F252 HydrophobicContact CG-CE1 4.45Å; L249-F252 VanDerWaalsContact O-CA 3.26Å; L249-F252 WeakPolarHBondContact O-CA 3.32Å; L249-F252 PolarHBondContact O-N 3.38Å; K250-F252 PolarHBondContact O-N 3.02Å; K250-F252 VanDerWaalsContact O-N 3.15Å; F252-W254 PolarHBondContact O-N 3.46Å
253	N	96.3	Very high	94.8	Very high	14 Å²	14	50.1 Å²	50.1	8%	0.075	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-83.2	91.2	165.2	-172.9	-13.6	0	0	0	109.2	Q147 R148 K250 Q251 V255 N256 I257	Q147-N253 CarbonylContact O-C 3.58Å; Q147-N253 VanDerWaalsContact O-CA 3.3Å; Q147-N253 WeakPolarHBondContact O-CA 3.47Å; Q147-N253 PolarHBondContact O-OD1 2.78Å; R148-N253 HydrophobicContact CG-CB 3.86Å; K250-N253 WeakPolarHBondContact O-CB 3.41Å; K250-N253 PolarHBondContact O-N 3.22Å; Q251-N253 PolarHBondContact O-N 3.38Å; N253-V255 PolarHBondContact O-N 3.11Å; N253-V255 PolarHBondContact OD1-N 3.48Å; N253-N256 HydrophobicContact CB-CB 4.36Å; N253-N256 PolarHBondContact ND2-ND2 3.38Å; N253-N256 PolarHBondContact O-N 3.47Å; N253-I257 PolarHBondContact O-N 3.34Å
254	W	94.6	Very high	94.7	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.019	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.3	-174	74.4	-17.6	0	0	0	114.4	L58 I131 L132 V135 P142 S143 L146 Q147 L149 F252 N256 I257	L58-W254 HydrophobicContact CD1-CH2 3.85Å; L58-W254 HydrophobicContact CD1-CZ3 3.91Å; L58-W254 HydrophobicContact CD2-CH2 3.26Å; L58-W254 HydrophobicContact CD2-CZ2 4.12Å; L58-W254 HydrophobicContact CD2-CZ3 3.65Å; L58-W254 HydrophobicContact CG-CH2 4.16Å; L58-W254 HydrophobicContact CG-CZ3 4.43Å; I131-W254 HydrophobicContact CG2-CE3 3.54Å; I131-W254 HydrophobicContact CG2-CZ3 3.4Å; L132-W254 HydrophobicContact CD2-CB 3.48Å; L132-W254 VanDerWaalsContact CD2-CB 3.48Å; L132-W254 HydrophobicContact CD2-CG 4.44Å; V135-W254 HydrophobicContact CG2-CE3 3.94Å; P142-W254 HydrophobicContact CB-CB 4.42Å; P142-W254 HydrophobicContact CB-CD2 3.96Å; P142-W254 HydrophobicContact CB-CG 3.87Å; P142-W254 VanDerWaalsContact CB-O 3.28Å; P142-W254 WeakPolarHBondContact CB-O 3.37Å; P142-W254 WeakPolarHBondContact CG-O 3.23Å; S143-W254 VanDerWaalsContact N-CZ2 3.31Å; L146-W254 HydrophobicContact CB-CZ2 3.81Å; L146-W254 HydrophobicContact CD1-CH2 4.43Å; L146-W254 HydrophobicContact CD1-CZ2 3.99Å; L146-W254 HydrophobicContact CG-CZ2 4.36Å; L146-W254 PolarHBondContact O-NE1 3.48Å; Q147-W254 PolarHBondContact O-N 3.14Å; Q147-W254 VanDerWaalsContact O-N 3.13Å; L149-W254 HydrophobicContact CD1-CB 4.25Å; L149-W254 HydrophobicContact CD1-CD2 3.37Å; L149-W254 HydrophobicContact CD1-CE3 3.8Å; L149-W254 HydrophobicContact CD1-CG 3.58Å; L149-W254 HydrophobicContact CD1-CZ2 4.11Å; L149-W254 HydrophobicContact CD1-CZ3 4.36Å; L149-W254 HydrophobicContact CD2-CE3 4.2Å; L149-W254 HydrophobicContact CD2-CZ3 4.28Å; F252-W254 PolarHBondContact O-N 3.46Å; W254-N256 PolarHBondContact O-N 3.38Å; W254-I257 HydrophobicContact CB-CD1 4.18Å
255	V	94	Very high	94.6	Very high	65 Å²	65	50.8 Å²	50.8	39%	0.394	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22	173	-175.5	0	0	0	0	110.7	P142 N253	P142-V255 HydrophobicContact CB-CG2 4.48Å; N253-V255 PolarHBondContact O-N 3.11Å; N253-V255 PolarHBondContact OD1-N 3.48Å
256	N	92.9	Very high	94.6	Very high	101 Å²	101	51.3 Å²	51.3	54%	0.54	26%	0.256	S	S	.	.			trans	-107	-2.5	-175.8	-66.5	-4.4	0	0	0	113.7	K250 N253 W254	K250-N256 HydrophobicContact CB-CB 4.39Å; K250-N256 WeakPolarHBondContact CG-O 3.43Å; N253-N256 HydrophobicContact CB-CB 4.36Å; N253-N256 PolarHBondContact ND2-ND2 3.38Å; N253-N256 PolarHBondContact O-N 3.47Å; W254-N256 PolarHBondContact O-N 3.38Å
257	I	89.3	Confident	94.5	Very high	69 Å²	69	55.6 Å²	55.6	35%	0.354	28%	0.278	S	S	.	.			trans	-65.1	0	173.9	-69.6	178.8	0	0	0	108.4	L132 V135 K136 L249 K250 N253 W254	L132-I257 HydrophobicContact CB-CD1 3.97Å; L132-I257 HydrophobicContact CD2-CD1 3.83Å; L132-I257 HydrophobicContact CG-CD1 4.37Å; V135-I257 HydrophobicContact CG1-CB 4.09Å; V135-I257 HydrophobicContact CG1-CG2 4.12Å; K136-I257 HydrophobicContact CB-CG2 3.72Å; K136-I257 HydrophobicContact CG-CG2 4.2Å; L249-I257 HydrophobicContact CB-CD1 4.3Å; L249-I257 HydrophobicContact CD2-CD1 4.23Å; K250-I257 HydrophobicContact CB-CG1 4.16Å; K250-I257 HydrophobicContact CG-CG1 4.12Å; N253-I257 PolarHBondContact O-N 3.34Å; W254-I257 HydrophobicContact CB-CD1 4.18Å

Retrieved 257 of 257 residues in 128.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).