A0A096MA13_POEFO Loading...

Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial

Mitochondrial fatty acid beta-oxidation enzyme that catalyzes the third step of the beta-oxidation cycle for medium and short-chain 3-hydroxy fatty acyl-CoAs (C4 to C10). Plays a role in the control of insulin secretion by inhibiting the activation of glutamate dehydrogenase 1 (GLUD1), an enzyme that has an important role in regulating amino acid-induced insulin secretion. Plays a role in the maintenance of normal spermatogenesis through the reduction of fatty acid accumulation in the testes.

AlphaFold DB , UniProt , Accession A0A096MA13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	38.3	Very low	237 Å²	237	155.9 Å²	155.9	100%	1.167	78%	0.776	S	S	*	*				0	47.1	0	-157.7	178.3	-148.8	0	0	111.6
2	F	35.4	Very low	38.4	Very low	213 Å²	213	154.3 Å²	154.3	93%	0.934	76%	0.761	S	S	*	*			trans	-155	74.5	178.6	-100.1	-84.7	0	0	0	108.8
3	R	33.4	Very low	38.4	Very low	244 Å²	244	148.3 Å²	148.3	92%	0.921	74%	0.739	S	S	*	*	S	Bend	trans	-165.5	20.8	168.8	-117.6	177.5	-169.2	-156.2	2.8	116
4	L	36.6	Very low	38.3	Very low	161 Å²	161	147.4 Å²	147.4	84%	0.843	73%	0.731	S	S	*	*	S	Bend	trans	-121.9	2.4	-176.4	-100.9	132.7	0	0	0	115.5
5	F	36.2	Very low	38.4	Very low	194 Å²	194	146.1 Å²	146.1	85%	0.851	72%	0.722	S	S	*	*	S	Bend	trans	-104.7	-2.5	-176.1	-84.9	-80.6	0	0	0	115.8
6	S	38.7	Very low	38.5	Very low	100 Å²	100	143.1 Å²	143.1	70%	0.699	71%	0.709	S	S	*	*	S	Bend	trans	-90.1	-14.7	-176.3	63.8	0	0	0	0	115.2
7	S	41	Very low	38.2	Very low	83 Å²	83	142.7 Å²	142.7	58%	0.58	70%	0.704	S	S	*	*	H	α-helix	trans	-82.5	-36.5	-176.2	-165.9	0	0	0	0	113.3	M9	S7-M9 PolarHBondContact O-N 2.79Å
8	N	38.3	Very low	38.5	Very low	121 Å²	121	146.3 Å²	146.3	65%	0.647	71%	0.709	S	S	*	*	H	α-helix	trans	-75.2	-26.3	-176.8	-78.8	-4.9	0	0	0	113.6	F12	N8-F12 PolarHBondContact O-N 3.06Å
9	M	38.6	Very low	38.5	Very low	146 Å²	146	144.2 Å²	144.2	72%	0.719	71%	0.711	S	S	*	*	H	α-helix	trans	-72.5	-37.3	180	-137.9	156.8	79.8	0	0	111.2	S7 F12 T13	S7-M9 PolarHBondContact O-N 2.79Å; M9-F12 PolarHBondContact O-N 3.5Å; M9-T13 PolarHBondContact O-N 3.41Å; M9-T13 PolarHBondContact O-OG1 3.45Å
10	A	42	Very low	38.6	Very low	59 Å²	59	146.1 Å²	146.1	49%	0.488	72%	0.715	S	S	.	*	H	α-helix	trans	-63.3	-41	175.1	0	0	0	0	0	112.4	T13 H14	A10-T13 WeakPolarHBondContact CA-OG1 3.46Å; A10-T13 PolarHBondContact O-OG1 3.1Å; A10-T13 VanDerWaalsContact O-OG1 3.06Å; A10-H14 PolarHBondContact O-N 3.01Å; A10-H14 VanDerWaalsContact O-N 3.1Å
11	F	40.9	Very low	38.5	Very low	157 Å²	157	142 Å²	142	69%	0.689	70%	0.701	S	S	*	*	H	α-helix	trans	-65.9	-39.9	177.1	-117.1	-90.5	0	0	0	112.8	H14 Q15	F11-H14 PolarHBondContact O-N 3.39Å; F11-Q15 PolarHBondContact O-N 3.38Å
12	F	38.9	Very low	38.2	Very low	136 Å²	136	136.2 Å²	136.2	60%	0.596	68%	0.684	S	S	*	*	H	α-helix	trans	-70.1	-40.2	176.7	-103	-90.9	0	0	0	112.7	N8 M9 H14 Q15 I16	N8-F12 PolarHBondContact O-N 3.06Å; M9-F12 PolarHBondContact O-N 3.5Å; F12-H14 VanDerWaalsContact C-N 3.29Å; F12-H14 PolarHBondContact O-N 3.18Å; F12-Q15 PolarHBondContact O-N 3.08Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.32Å; F12-I16 VanDerWaalsContact O-N 3.08Å
13	T	39.1	Very low	38.3	Very low	77 Å²	77	130.2 Å²	130.2	47%	0.472	67%	0.668	S	S	.	*	H	α-helix	trans	-65.7	-31.3	174.3	33	0	0	0	0	113	M9 A10 I16 Q17	M9-T13 PolarHBondContact O-N 3.41Å; M9-T13 PolarHBondContact O-OG1 3.45Å; A10-T13 WeakPolarHBondContact CA-OG1 3.46Å; A10-T13 PolarHBondContact O-OG1 3.1Å; A10-T13 VanDerWaalsContact O-OG1 3.06Å; T13-I16 PolarHBondContact O-N 3.48Å; T13-Q17 WeakPolarHBondContact O-CB 3.36Å; T13-Q17 PolarHBondContact O-N 3.26Å
14	H	36.9	Very low	38.5	Very low	135 Å²	135	124.2 Å²	124.2	63%	0.625	66%	0.658	S	S	*	*	H	α-helix	trans	-71.1	-33.5	175.8	-120.2	30.3	0	0	0	113.2	A10 F11 F12 R18	A10-H14 PolarHBondContact O-N 3.01Å; A10-H14 VanDerWaalsContact O-N 3.1Å; F11-H14 PolarHBondContact O-N 3.39Å; F12-H14 VanDerWaalsContact C-N 3.29Å; F12-H14 PolarHBondContact O-N 3.18Å; H14-R18 PolarHBondContact O-N 3.24Å
15	Q	39.5	Very low	38.7	Very low	128 Å²	128	120.3 Å²	120.3	60%	0.598	64%	0.641	S	S	*	*	H	α-helix	trans	-70.7	-40.5	172.4	-82.6	-171.4	-18.5	0	0	112.3	F11 F12 R18 S19	F11-Q15 PolarHBondContact O-N 3.38Å; F12-Q15 PolarHBondContact O-N 3.08Å; Q15-R18 PolarHBondContact O-N 2.99Å; Q15-S19 PolarHBondContact O-N 3.5Å
16	I	40.8	Very low	39.2	Very low	99 Å²	99	121.8 Å²	121.8	51%	0.508	64%	0.641	S	S	.	*	H	α-helix	trans	-70.1	-36.1	179.8	-64.5	168.7	0	0	0	111.3	F12 T13 R18 S19	F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.32Å; F12-I16 VanDerWaalsContact O-N 3.08Å; T13-I16 PolarHBondContact O-N 3.48Å; I16-R18 VanDerWaalsContact C-N 3.28Å; I16-R18 PolarHBondContact O-N 3.43Å; I16-S19 PolarHBondContact O-N 3.23Å
17	Q	32.9	Very low	40	Very low	136 Å²	136	119.5 Å²	119.5	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-25.8	173.6	-89.8	-175	-50.5	0	0	113.6	T13 F20 S21	T13-Q17 WeakPolarHBondContact O-CB 3.36Å; T13-Q17 PolarHBondContact O-N 3.26Å; Q17-F20 PolarHBondContact O-N 3.25Å; Q17-S21 PolarHBondContact O-N 3.39Å
18	R	43.2	Very low	40.9	Very low	208 Å²	208	117.5 Å²	117.5	79%	0.785	61%	0.605	S	S	*	*	H	α-helix	trans	-72.3	-27	173.3	-87.1	-174.9	162.7	-169.9	-3.9	113.3	H14 Q15 I16 F20 S21	H14-R18 PolarHBondContact O-N 3.24Å; Q15-R18 PolarHBondContact O-N 2.99Å; I16-R18 VanDerWaalsContact C-N 3.28Å; I16-R18 PolarHBondContact O-N 3.43Å; R18-F20 VanDerWaalsContact C-N 3.26Å; R18-F20 PolarHBondContact O-N 3.39Å; R18-S21 VanDerWaalsContact O-CB 3.3Å; R18-S21 WeakPolarHBondContact O-CB 3.3Å; R18-S21 PolarHBondContact O-N 3.41Å
19	S	38.4	Very low	42.9	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	60%	0.604	S	S	*	*	H	α-helix	trans	-73.7	-14.6	174.1	-69.6	0	0	0	0	114.1	Q15 I16	Q15-S19 PolarHBondContact O-N 3.5Å; I16-S19 PolarHBondContact O-N 3.23Å
20	F	40.3	Very low	45.2	Very low	182 Å²	182	110.4 Å²	110.4	80%	0.798	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	9.6	170.8	-70.4	-79.4	0	0	0	112.9	Q17 R18 S22	Q17-F20 PolarHBondContact O-N 3.25Å; R18-F20 VanDerWaalsContact C-N 3.26Å; R18-F20 PolarHBondContact O-N 3.39Å; F20-S22 PolarHBondContact O-N 3.3Å
21	S	37.6	Very low	47.5	Very low	59 Å²	59	113.8 Å²	113.8	41%	0.413	58%	0.577	S	S	.	*			trans	-67.3	126.3	171.5	-171.5	0	0	0	0	108.5	Q17 R18 S23	Q17-S21 PolarHBondContact O-N 3.39Å; R18-S21 VanDerWaalsContact O-CB 3.3Å; R18-S21 WeakPolarHBondContact O-CB 3.3Å; R18-S21 PolarHBondContact O-N 3.41Å; S21-S23 PolarHBondContact O-N 2.82Å; S21-S23 PolarHBondContact OG-OG 2.81Å
22	S	34.3	Very low	50.1	Low	116 Å²	116	109 Å²	109	81%	0.811	56%	0.558	S	S	*	*			trans	-68.2	25	169.1	63.5	0	0	0	0	112.8	F20 V24	F20-S22 PolarHBondContact O-N 3.3Å; S22-V24 PolarHBondContact O-N 2.88Å
23	S	37.4	Very low	52.9	Low	87 Å²	87	102.5 Å²	102.5	61%	0.608	53%	0.53	S	S	*	.			trans	-62.2	91.9	164.9	-58.9	0	0	0	0	106	S21 V25	S21-S23 PolarHBondContact O-N 2.82Å; S21-S23 PolarHBondContact OG-OG 2.81Å; S23-V25 PolarHBondContact O-N 2.76Å
24	V	37.3	Very low	55.7	Low	118 Å²	118	99 Å²	99	72%	0.715	51%	0.509	S	S	*	.			trans	-47.3	109.7	168.5	179.4	0	0	0	0	105.9	S22 R26	S22-V24 PolarHBondContact O-N 2.88Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 2.8Å
25	V	40.9	Very low	58.6	Low	79 Å²	79	92.6 Å²	92.6	48%	0.479	48%	0.479	S	S	.	.			trans	-55.8	106.2	164	180	0	0	0	0	103.6	S23 N27 E196	S23-V25 PolarHBondContact O-N 2.76Å; V25-N27 WeakPolarHBondContact CG1-OD1 3.36Å; V25-N27 PolarHBondContact O-N 2.86Å; V25-E196 HydrophobicContact CG1-CG 4.13Å
26	R	45.9	Very low	61.4	Low	226 Å²	226	87 Å²	87	85%	0.853	45%	0.453	S	S	*	.			trans	-74.3	77.7	177.4	-77.9	-172.7	-179	-179.1	1.1	106.4	V24 V28	V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 2.8Å; R26-V28 PolarHBondContact O-N 3.03Å
27	N	55.1	Low	64.1	Low	52 Å²	52	82.5 Å²	82.5	28%	0.278	43%	0.431	S	S	.	.			trans	-57.6	121.8	166.1	-77.8	-17.6	0	0	0	106.8	V25 V29 E199	V25-N27 WeakPolarHBondContact CG1-OD1 3.36Å; V25-N27 PolarHBondContact O-N 2.86Å; N27-V29 PolarHBondContact O-N 3.2Å; N27-E199 PolarHBondContact ND2-OE1 3.37Å
28	V	61.5	Low	67	Low	41 Å²	41	76.4 Å²	76.4	25%	0.248	41%	0.405	C	S	.	.			trans	-62.5	113.1	172.6	176.1	0	0	0	0	106.3	R26 I30 D118 H145 S200	R26-V28 PolarHBondContact O-N 3.03Å; V28-I30 PolarHBondContact O-N 3.36Å; V28-I30 VanDerWaalsContact O-N 3.13Å; V28-D118 HydrophobicContact CG1-CB 4.18Å; V28-H145 HydrophobicContact CG2-CB 4.4Å; V28-S200 PolarHBondContact O-OG 2.94Å
29	V	78.6	Confident	69.3	Low	102 Å²	102	68.5 Å²	68.5	62%	0.618	39%	0.388	S	S	*	.			trans	-75.1	102.7	173.5	-178.9	0	0	0	0	106.5	N27 K31	N27-V29 PolarHBondContact O-N 3.2Å; V29-K31 HydrophobicContact CG1-CG 4.14Å; V29-K31 PolarHBondContact O-N 3.02Å
30	I	88.6	Confident	71.9	Confident	15 Å²	15	71.1 Å²	71.1	8%	0.077	39%	0.388	C	S	.	.			trans	-70.1	121.3	179.1	-59.4	175	0	0	0	107.9	V28 V33 H55 D118 L119 F204	V28-I30 PolarHBondContact O-N 3.36Å; V28-I30 VanDerWaalsContact O-N 3.13Å; I30-V33 HydrophobicContact CG2-CG2 3.68Å; I30-H55 PolarHBondContact O-CD2 3.03Å; I30-H55 PolarHBondContact O-NE2 3.3Å; I30-D118 HydrophobicContact CB-CB 4.37Å; I30-D118 HydrophobicContact CG1-CB 4.41Å; I30-D118 HydrophobicContact CG2-CB 4.26Å; I30-L119 HydrophobicContact CD1-CB 4.1Å; I30-L119 HydrophobicContact CD1-CD2 4.13Å; I30-L119 HydrophobicContact CG1-CB 4.42Å; I30-L119 HydrophobicContact CG2-CB 3.7Å; I30-L119 HydrophobicContact CG2-CD2 4.3Å; I30-F204 HydrophobicContact CB-CD2 4.22Å; I30-F204 HydrophobicContact CD1-CB 3.94Å; I30-F204 HydrophobicContact CD1-CD2 4.18Å; I30-F204 HydrophobicContact CD1-CG 4.1Å; I30-F204 HydrophobicContact CG2-CD2 3.94Å; I30-F204 HydrophobicContact CG2-CE2 3.99Å
31	K	90.3	Very high	74.4	Confident	131 Å²	131	64.5 Å²	64.5	57%	0.57	36%	0.36	S	S	*	.			trans	-126.6	-39.7	176.1	-65.1	-179.1	179.9	178.6	0	111.4	V29 H55 S56 D118	V29-K31 HydrophobicContact CG1-CG 4.14Å; V29-K31 PolarHBondContact O-N 3.02Å; K31-H55 WeakPolarHBondContact O-CA 3.41Å; K31-H55 WeakPolarHBondContact O-CB 3.22Å; K31-S56 PolarHBondContact O-N 3.11Å; K31-D118 PolarHBondContact N-OD2 3.23Å
32	N	94.9	Very high	77.2	Confident	55 Å²	55	61.7 Å²	61.7	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.3	179.8	-60.7	-28.4	0	0	0	109.7	S56 T116 D118 L119	N32-S56 WeakPolarHBondContact CA-O 3.35Å; N32-T116 VanDerWaalsContact CB-O 3.3Å; N32-T116 WeakPolarHBondContact CB-O 3.25Å; N32-T116 PolarHBondContact ND2-O 2.66Å; N32-D118 PolarHBondContact N-OD2 3.42Å; N32-D118 PolarHBondContact O-N 2.76Å; N32-L119 PolarHBondContact O-N 2.99Å
33	V	97.3	Very high	80.1	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.9	-178.6	-173.5	0	0	0	0	109.6	I30 I35 V49 H55 S56 V57 T58 L119 V121 F204	I30-V33 HydrophobicContact CG2-CG2 3.68Å; V33-I35 HydrophobicContact CG1-CG1 4.17Å; V33-V49 HydrophobicContact CB-CG1 4.08Å; V33-V49 HydrophobicContact CG1-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.87Å; V33-H55 HydrophobicContact CG2-CB 4.44Å; V33-S56 PolarHBondContact N-O 2.89Å; V33-V57 CarbonylContact O-C 3.5Å; V33-V57 VanDerWaalsContact O-CA 3.28Å; V33-V57 WeakPolarHBondContact O-CA 3.4Å; V33-T58 PolarHBondContact O-N 3.04Å; V33-L119 CarbonylContact C-O 3.52Å; V33-L119 WeakPolarHBondContact CA-O 3.49Å; V33-L119 HydrophobicContact CG1-CB 4.42Å; V33-L119 HydrophobicContact CG1-CD2 4.17Å; V33-L119 HydrophobicContact CG1-CG 4.34Å; V33-L119 HydrophobicContact CG2-CB 4.4Å; V33-L119 HydrophobicContact CG2-CD2 4.48Å; V33-V121 HydrophobicContact CG1-CG2 4.18Å; V33-F204 HydrophobicContact CG2-CE2 3.97Å; V33-F204 HydrophobicContact CG2-CZ 4.09Å
34	T	98.2	Very high	82.9	Confident	3 Å²	3	53 Å²	53	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	174.1	-71.2	0	0	0	0	109.6	I36 T58 V60 A113 V114 S117 L119 V120 V121	T34-I36 HydrophobicContact CG2-CD1 3.61Å; T34-T58 CarbonylContact C-O 3.59Å; T34-T58 WeakPolarHBondContact CA-O 3.34Å; T34-V60 HydrophobicContact CG2-CG2 3.84Å; T34-A113 HydrophobicContact CG2-CB 3.82Å; T34-A113 PolarHBondContact OG1-O 3.27Å; T34-V114 HydrophobicContact CG2-CG1 4.09Å; T34-S117 VanDerWaalsContact CB-OG 3.25Å; T34-S117 WeakPolarHBondContact CB-OG 3.42Å; T34-S117 PolarHBondContact OG1-OG 2.91Å; T34-L119 PolarHBondContact N-O 2.94Å; T34-V120 CarbonylContact O-C 3.56Å; T34-V120 VanDerWaalsContact O-CA 3.26Å; T34-V120 WeakPolarHBondContact O-CA 3.26Å; T34-V121 PolarHBondContact O-N 3.43Å
35	I	98.1	Very high	85.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.4	-178.1	-61.2	168.6	0	0	0	107.9	V33 I45 A46 V57 T58 L59 V60 V121	V33-I35 HydrophobicContact CG1-CG1 4.17Å; I35-I45 HydrophobicContact CD1-CB 4.19Å; I35-I45 HydrophobicContact CD1-CG2 3.73Å; I35-I45 HydrophobicContact CG1-CG2 4.33Å; I35-A46 HydrophobicContact CD1-CB 3.57Å; I35-A46 VanDerWaalsContact CD1-N 3.29Å; I35-V57 HydrophobicContact CD1-CG1 3.69Å; I35-V57 HydrophobicContact CG1-CG1 4.34Å; I35-T58 PolarHBondContact N-O 3.3Å; I35-L59 HydrophobicContact CB-CD1 4.03Å; I35-L59 HydrophobicContact CG2-CD1 3.83Å; I35-V60 PolarHBondContact O-N 2.58Å; I35-V121 CarbonylContact C-O 3.59Å; I35-V121 VanDerWaalsContact CA-O 3.31Å; I35-V121 WeakPolarHBondContact CA-O 3.36Å; I35-V121 HydrophobicContact CG1-CB 4.37Å
36	I	97.9	Very high	88.3	Confident	11 Å²	11	43.6 Å²	43.6	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114	-179.9	-45.2	-62.8	0	0	0	109	T34 V60 V120 V121 A123 I124 L134 L138	T34-I36 HydrophobicContact CG2-CD1 3.61Å; I36-V60 HydrophobicContact CD1-CB 3.68Å; I36-V60 HydrophobicContact CD1-CG1 4.2Å; I36-V60 HydrophobicContact CD1-CG2 3.72Å; I36-V120 HydrophobicContact CG1-CG1 3.97Å; I36-V121 PolarHBondContact N-O 3.22Å; I36-A123 CarbonylContact O-C 3.56Å; I36-A123 WeakPolarHBondContact O-CA 3.49Å; I36-A123 PolarHBondContact O-N 2.79Å; I36-I124 HydrophobicContact CB-CG2 4.37Å; I36-I124 HydrophobicContact CG2-CG2 3.84Å; I36-I124 WeakPolarHBondContact O-CG2 3.44Å; I36-L134 HydrophobicContact CB-CD2 4.2Å; I36-L134 HydrophobicContact CG2-CD1 4.25Å; I36-L134 HydrophobicContact CG2-CD2 3.72Å; I36-L138 HydrophobicContact CD1-CD1 4.48Å; I36-L138 HydrophobicContact CG1-CD1 4.13Å
37	G	96.7	Very high	90.6	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	19%	0.186	C	C	.	.			trans	112	109.6	-176.9	0	0	0	0	0	112.4	G39 G42 V60	G37-G39 VanDerWaalsContact C-N 3.26Å; G37-G39 PolarHBondContact O-N 2.81Å; G37-G42 VanDerWaalsContact O-CA 3.27Å; G37-G42 WeakPolarHBondContact O-CA 3.47Å; G37-V60 PolarHBondContact N-O 3.22Å
38	G	93.9	Very high	92.4	Very high	8 Å²	8	31.6 Å²	31.6	8%	0.082	18%	0.177	C	C	.	.			trans	-85.7	18.5	175.6	0	0	0	0	0	114.6	D61 A70	G38-D61 WeakPolarHBondContact CA-OD2 3.19Å; G38-D61 PolarHBondContact N-OD2 2.85Å; G38-A70 WeakPolarHBondContact O-CB 3.47Å
39	G	92.9	Very high	93.8	Very high	41 Å²	41	29.6 Å²	29.6	42%	0.423	17%	0.165	S	C	.	.	S	Bend	trans	-66.4	-175.2	172	0	0	0	0	0	112.9	G37 M41 G42 A43	G37-G39 VanDerWaalsContact C-N 3.26Å; G37-G39 PolarHBondContact O-N 2.81Å; G39-M41 VanDerWaalsContact C-N 3.31Å; G39-M41 PolarHBondContact O-N 3.42Å; G39-G42 PolarHBondContact O-N 2.98Å; G39-A43 VanDerWaalsContact O-CB 3.23Å; G39-A43 WeakPolarHBondContact O-CB 3.44Å; G39-A43 PolarHBondContact O-N 3.3Å
40	Q	91.1	Very high	94.3	Very high	161 Å²	161	24.9 Å²	24.9	75%	0.752	14%	0.137	S	C	*	.	H	α-helix	trans	-56.6	-43.7	-178.8	-70.3	-169	-46.3	0	0	113	G44	Q40-G44 PolarHBondContact O-N 3.19Å; Q40-G44 VanDerWaalsContact O-N 3.1Å
41	M	94.3	Very high	94.2	Very high	43 Å²	43	25.4 Å²	25.4	21%	0.212	14%	0.143	C	C	.	.	H	α-helix	trans	-68.5	-55	180	-68.2	-56.1	-70.3	0	0	111.6	G39 A43 G44 I45 A123 N151 F175 N177 V179	G39-M41 VanDerWaalsContact C-N 3.31Å; G39-M41 PolarHBondContact O-N 3.42Å; M41-A43 VanDerWaalsContact C-N 3.35Å; M41-A43 PolarHBondContact O-N 3.36Å; M41-G44 CarbonylContact O-C 3.55Å; M41-G44 WeakPolarHBondContact O-CA 3.47Å; M41-G44 PolarHBondContact O-N 2.88Å; M41-I45 VanDerWaalsContact O-CG1 3.29Å; M41-I45 WeakPolarHBondContact O-CG1 3.36Å; M41-I45 PolarHBondContact O-N 2.91Å; M41-A123 HydrophobicContact CB-CB 4.43Å; M41-N151 WeakPolarHBondContact CE-ND2 3.34Å; M41-F175 HydrophobicContact CE-CB 3.95Å; M41-F175 WeakPolarHBondContact CE-O 3.5Å; M41-N177 HydrophobicContact SD-CB 3.83Å; M41-V179 HydrophobicContact CE-CG2 3.81Å; M41-V179 HydrophobicContact SD-CG2 4.18Å
42	G	95.8	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-36	-177.3	0	0	0	0	0	113.6	G37 G39 G44 I45 A46	G37-G42 VanDerWaalsContact O-CA 3.27Å; G37-G42 WeakPolarHBondContact O-CA 3.47Å; G39-G42 PolarHBondContact O-N 2.98Å; G42-G44 PolarHBondContact O-N 3.39Å; G42-I45 PolarHBondContact O-N 2.84Å; G42-A46 VanDerWaalsContact O-CB 3.3Å; G42-A46 WeakPolarHBondContact O-CB 3.3Å; G42-A46 PolarHBondContact O-N 3.27Å
43	A	95.4	Very high	92.5	Very high	12 Å²	12	20.8 Å²	20.8	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-39.9	170.8	0	0	0	0	0	112.1	G39 M41 A46 Q47 A70 I74	G39-A43 VanDerWaalsContact O-CB 3.23Å; G39-A43 WeakPolarHBondContact O-CB 3.44Å; G39-A43 PolarHBondContact O-N 3.3Å; M41-A43 VanDerWaalsContact C-N 3.35Å; M41-A43 PolarHBondContact O-N 3.36Å; A43-A46 PolarHBondContact O-N 3.44Å; A43-Q47 WeakPolarHBondContact O-CB 3.25Å; A43-Q47 PolarHBondContact O-N 3.47Å; A43-A70 HydrophobicContact CB-CB 4.2Å; A43-I74 HydrophobicContact CB-CD1 4.32Å; A43-I74 HydrophobicContact CB-CG1 4.07Å; A43-I74 WeakPolarHBondContact O-CG1 3.33Å
44	G	95	Very high	91.3	Very high	8 Å²	8	23.1 Å²	23.1	8%	0.082	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-40.2	175.2	0	0	0	0	0	113.2	Q40 M41 G42 E48	Q40-G44 PolarHBondContact O-N 3.19Å; Q40-G44 VanDerWaalsContact O-N 3.1Å; M41-G44 CarbonylContact O-C 3.55Å; M41-G44 WeakPolarHBondContact O-CA 3.47Å; M41-G44 PolarHBondContact O-N 2.88Å; G42-G44 PolarHBondContact O-N 3.39Å; G44-E48 WeakPolarHBondContact O-CB 3.45Å; G44-E48 PolarHBondContact O-N 3.13Å
45	I	96.3	Very high	90.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-45.6	174.2	-62.8	164.2	0	0	0	109.3	I35 M41 G42 Q47 E48 V49 V121 A123 N151 F175 V179	I35-I45 HydrophobicContact CD1-CB 4.19Å; I35-I45 HydrophobicContact CD1-CG2 3.73Å; I35-I45 HydrophobicContact CG1-CG2 4.33Å; M41-I45 VanDerWaalsContact O-CG1 3.29Å; M41-I45 WeakPolarHBondContact O-CG1 3.36Å; M41-I45 PolarHBondContact O-N 2.91Å; G42-I45 PolarHBondContact O-N 2.84Å; I45-Q47 VanDerWaalsContact C-N 3.35Å; I45-Q47 PolarHBondContact O-N 3.44Å; I45-E48 PolarHBondContact O-N 3.33Å; I45-E48 VanDerWaalsContact O-N 3.16Å; I45-V49 HydrophobicContact CG2-CG2 4.07Å; I45-V49 WeakPolarHBondContact O-CB 3.42Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.38Å; I45-V49 PolarHBondContact O-N 3.01Å; I45-V121 HydrophobicContact CD1-CG1 4.13Å; I45-V121 HydrophobicContact CG2-CG1 4.4Å; I45-A123 HydrophobicContact CD1-CB 4.42Å; I45-N151 HydrophobicContact CD1-CB 4.15Å; I45-F175 HydrophobicContact CD1-CD2 3.61Å; I45-F175 HydrophobicContact CD1-CE2 4.05Å; I45-F175 HydrophobicContact CD1-CG 4.24Å; I45-F175 HydrophobicContact CG1-CB 4.37Å; I45-F175 HydrophobicContact CG1-CD2 3.72Å; I45-F175 HydrophobicContact CG1-CE2 4.06Å; I45-F175 HydrophobicContact CG1-CG 3.97Å; I45-F175 HydrophobicContact CG2-CE2 4.12Å; I45-F175 HydrophobicContact CG2-CZ 4.28Å; I45-V179 HydrophobicContact CG1-CG1 4.2Å; I45-V179 HydrophobicContact CG1-CG2 4.25Å
46	A	95.7	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-46.5	178.7	0	0	0	0	0	111.9	I35 G42 A43 E48 A50 V57 L59 I74	I35-A46 HydrophobicContact CD1-CB 3.57Å; I35-A46 VanDerWaalsContact CD1-N 3.29Å; G42-A46 VanDerWaalsContact O-CB 3.3Å; G42-A46 WeakPolarHBondContact O-CB 3.3Å; G42-A46 PolarHBondContact O-N 3.27Å; A43-A46 PolarHBondContact O-N 3.44Å; A46-E48 PolarHBondContact O-N 2.82Å; A46-A50 VanDerWaalsContact O-CB 3.29Å; A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.33Å; A46-V57 HydrophobicContact CB-CG1 3.94Å; A46-L59 HydrophobicContact CB-CD1 4.43Å; A46-I74 HydrophobicContact CB-CD1 4.12Å
47	Q	94	Very high	90.4	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-51.1	173.8	179.7	-175.1	-31.5	0	0	111.3	A43 I45 A51 I74 S77 L78 P180	A43-Q47 WeakPolarHBondContact O-CB 3.25Å; A43-Q47 PolarHBondContact O-N 3.47Å; I45-Q47 VanDerWaalsContact C-N 3.35Å; I45-Q47 PolarHBondContact O-N 3.44Å; Q47-A51 WeakPolarHBondContact O-CB 3.08Å; Q47-A51 PolarHBondContact O-N 3.02Å; Q47-I74 HydrophobicContact CB-CG1 4.26Å; Q47-I74 HydrophobicContact CB-CG2 3.94Å; Q47-I74 HydrophobicContact CG-CG2 4.08Å; Q47-S77 PolarHBondContact NE2-OG 2.89Å; Q47-S77 PolarHBondContact OE1-OG 3.08Å; Q47-L78 HydrophobicContact CG-CD2 3.79Å; Q47-L78 HydrophobicContact CG-CG 4.01Å; Q47-P180 HydrophobicContact CG-CG 4.37Å
48	E	93.4	Very high	90.5	Very high	19 Å²	19	27.4 Å²	27.4	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-43.6	-174.3	-178.5	69.2	173.9	0	0	112.3	G44 I45 A46 A51 S52 V179 P180 K210	G44-E48 WeakPolarHBondContact O-CB 3.45Å; G44-E48 PolarHBondContact O-N 3.13Å; I45-E48 PolarHBondContact O-N 3.33Å; I45-E48 VanDerWaalsContact O-N 3.16Å; A46-E48 PolarHBondContact O-N 2.82Å; E48-A51 PolarHBondContact O-N 3.08Å; E48-S52 VanDerWaalsContact O-CB 3.3Å; E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 2.83Å; E48-S52 PolarHBondContact O-OG 3.03Å; E48-S52 PolarHBondContact OE1-OG 2.89Å; E48-V179 HydrophobicContact CB-CG1 4.04Å; E48-V179 HydrophobicContact CG-CG1 4.36Å; E48-P180 WeakPolarHBondContact OE2-CA 3.49Å; E48-K210 VanDerWaalsContact OE1-CE 3.3Å; E48-K210 WeakPolarHBondContact OE1-CE 3.38Å; E48-K210 IonicContact OE1-NZ 3.2Å; E48-K210 PolarHBondContact OE1-NZ 3.35Å; E48-K210 IonicContact OE2-NZ 2.66Å
49	V	91.2	Very high	90.6	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-50.1	177.6	175.2	0	0	0	0	110.3	V33 I45 A51 T53 H55 V57 F204 L208	V33-V49 HydrophobicContact CB-CG1 4.08Å; V33-V49 HydrophobicContact CG1-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.87Å; I45-V49 HydrophobicContact CG2-CG2 4.07Å; I45-V49 WeakPolarHBondContact O-CB 3.42Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.38Å; I45-V49 PolarHBondContact O-N 3.01Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.34Å; V49-T53 PolarHBondContact O-N 3.42Å; V49-T53 PolarHBondContact O-OG1 2.89Å; V49-H55 HydrophobicContact CG1-CB 3.81Å; V49-V57 HydrophobicContact CB-CG2 3.9Å; V49-V57 HydrophobicContact CG1-CG2 3.52Å; V49-F204 HydrophobicContact CG1-CE2 4.47Å; V49-F204 HydrophobicContact CG1-CZ 4.25Å; V49-F204 HydrophobicContact CG2-CZ 3.79Å; V49-L208 HydrophobicContact CB-CD2 4.28Å; V49-L208 HydrophobicContact CG2-CD1 4.38Å; V49-L208 HydrophobicContact CG2-CD2 3.96Å
50	A	89.4	Confident	90.9	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-36.5	179.1	0	0	0	0	0	112.7	A46 V57 V100 N103 V104	A46-A50 VanDerWaalsContact O-CB 3.29Å; A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.33Å; A50-V57 HydrophobicContact CB-CG2 4.04Å; A50-V100 HydrophobicContact CB-CG1 3.82Å; A50-N103 HydrophobicContact CB-CB 4.11Å; A50-V104 HydrophobicContact CB-CG2 3.47Å; A50-V104 VanDerWaalsContact CB-CG2 3.47Å
51	A	85.5	Confident	91.2	Very high	26 Å²	26	18.8 Å²	18.8	22%	0.215	13%	0.128	C	C	.	.	H	α-helix	trans	-79.1	-42.3	-176.4	0	0	0	0	0	114.3	Q47 E48 V49 F96 V100	Q47-A51 WeakPolarHBondContact O-CB 3.08Å; Q47-A51 PolarHBondContact O-N 3.02Å; E48-A51 PolarHBondContact O-N 3.08Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.34Å; A51-F96 HydrophobicContact CB-CZ 3.98Å; A51-V100 HydrophobicContact CB-CG1 4.14Å; A51-V100 HydrophobicContact CB-CG2 3.95Å
52	S	78.9	Confident	91.2	Very high	54 Å²	54	24.1 Å²	24.1	38%	0.378	16%	0.155	S	C	.	.	H	α-helix	trans	-83.3	-27.1	-172.7	-64.8	0	0	0	0	112.8	E48 L208	E48-S52 VanDerWaalsContact O-CB 3.3Å; E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 2.83Å; E48-S52 PolarHBondContact O-OG 3.03Å; E48-S52 PolarHBondContact OE1-OG 2.89Å; S52-L208 WeakPolarHBondContact CB-O 3.48Å; S52-L208 PolarHBondContact OG-O 2.58Å
53	T	71.6	Confident	91.1	Very high	34 Å²	34	27.1 Å²	27.1	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-134.5	0.5	-162.6	59.2	0	0	0	0	115.7	V49 H55 A207 L208	V49-T53 PolarHBondContact O-N 3.42Å; V49-T53 PolarHBondContact O-OG1 2.89Å; T53-H55 WeakPolarHBondContact CB-CE1 3.5Å; T53-H55 WeakPolarHBondContact CB-ND1 3.1Å; T53-H55 PolarHBondContact O-N 2.94Å; T53-H55 PolarHBondContact O-ND1 3.1Å; T53-H55 PolarHBondContact OG1-CE1 3.3Å; T53-H55 VanDerWaalsContact OG1-CE1 3.3Å; T53-H55 VanDerWaalsContact OG1-CG 3.31Å; T53-H55 PolarHBondContact OG1-ND1 3.34Å; T53-A207 HydrophobicContact CG2-CB 3.99Å; T53-A207 WeakPolarHBondContact CG2-O 3.36Å; T53-L208 HydrophobicContact CG2-CD2 3.74Å; T53-L208 HydrophobicContact CG2-CG 4.44Å
54	G	72.7	Confident	91.1	Very high	50 Å²	50	30.9 Å²	30.9	52%	0.515	19%	0.191	S	C	.	.			trans	58.6	17.6	-179.8	0	0	0	0	0	113.9
55	H	86.8	Confident	91.2	Very high	28 Å²	28	36 Å²	36	13%	0.13	22%	0.216	C	C	.	.			trans	-68.4	150.2	177.2	-72.6	39	0	0	0	110	I30 K31 V33 V49 T53 V57 F204	I30-H55 PolarHBondContact O-CD2 3.03Å; I30-H55 PolarHBondContact O-NE2 3.3Å; K31-H55 WeakPolarHBondContact O-CA 3.41Å; K31-H55 WeakPolarHBondContact O-CB 3.22Å; V33-H55 HydrophobicContact CG2-CB 4.44Å; V49-H55 HydrophobicContact CG1-CB 3.81Å; T53-H55 WeakPolarHBondContact CB-CE1 3.5Å; T53-H55 WeakPolarHBondContact CB-ND1 3.1Å; T53-H55 PolarHBondContact O-N 2.94Å; T53-H55 PolarHBondContact O-ND1 3.1Å; T53-H55 PolarHBondContact OG1-CE1 3.3Å; T53-H55 VanDerWaalsContact OG1-CE1 3.3Å; T53-H55 VanDerWaalsContact OG1-CG 3.31Å; T53-H55 PolarHBondContact OG1-ND1 3.34Å; H55-V57 PolarHBondContact O-N 2.9Å; H55-F204 AromaticContact CD2-CE2 3.83Å; H55-F204 AromaticContact NE2-CD2 3.95Å; H55-F204 AromaticContact NE2-CE2 3.79Å
56	S	91.9	Very high	91.1	Very high	56 Å²	56	38.7 Å²	38.7	39%	0.392	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.5	170.9	-174.3	0	0	0	0	108.6	K31 N32 V33	K31-S56 PolarHBondContact O-N 3.11Å; N32-S56 WeakPolarHBondContact CA-O 3.35Å; V33-S56 PolarHBondContact N-O 2.89Å
57	V	96.3	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133	-178.1	-177.8	0	0	0	0	109.9	V33 I35 A46 V49 A50 H55 N103 V104 S105	V33-V57 CarbonylContact O-C 3.5Å; V33-V57 VanDerWaalsContact O-CA 3.28Å; V33-V57 WeakPolarHBondContact O-CA 3.4Å; I35-V57 HydrophobicContact CD1-CG1 3.69Å; I35-V57 HydrophobicContact CG1-CG1 4.34Å; A46-V57 HydrophobicContact CB-CG1 3.94Å; V49-V57 HydrophobicContact CB-CG2 3.9Å; V49-V57 HydrophobicContact CG1-CG2 3.52Å; A50-V57 HydrophobicContact CB-CG2 4.04Å; H55-V57 PolarHBondContact O-N 2.9Å; V57-N103 PolarHBondContact N-O 3.29Å; V57-V104 HydrophobicContact CB-CG2 4.35Å; V57-S105 PolarHBondContact O-N 3.12Å; V57-S105 PolarHBondContact O-OG 2.75Å
58	T	97.6	Very high	91.2	Very high	25 Å²	25	44.9 Å²	44.9	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.5	169.3	-59.3	0	0	0	0	109.3	V33 T34 I35 V60 S105 T107 A113	V33-T58 PolarHBondContact O-N 3.04Å; T34-T58 CarbonylContact C-O 3.59Å; T34-T58 WeakPolarHBondContact CA-O 3.34Å; I35-T58 PolarHBondContact N-O 3.3Å; T58-V60 HydrophobicContact CG2-CG2 4.2Å; T58-S105 CarbonylContact C-O 3.55Å; T58-S105 WeakPolarHBondContact CA-O 3.4Å; T58-S105 WeakPolarHBondContact CA-OG 3.16Å; T58-S105 PolarHBondContact OG1-OG 3.02Å; T58-T107 HydrophobicContact CG2-CG2 3.62Å; T58-A113 HydrophobicContact CG2-CB 3.81Å
59	L	97.8	Very high	91.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.1	175.4	-176.8	65.7	0	0	0	110	I35 A46 L67 A70 S105 T106 T107	I35-L59 HydrophobicContact CB-CD1 4.03Å; I35-L59 HydrophobicContact CG2-CD1 3.83Å; A46-L59 HydrophobicContact CB-CD1 4.43Å; L59-L67 HydrophobicContact CB-CD2 4.44Å; L59-L67 HydrophobicContact CD2-CD2 4.14Å; L59-L67 HydrophobicContact CG-CD2 3.91Å; L59-A70 HydrophobicContact CD2-CB 3.72Å; L59-S105 PolarHBondContact N-O 3.27Å; L59-T106 HydrophobicContact CB-CG2 4.35Å; L59-T106 VanDerWaalsContact O-CA 3.27Å; L59-T106 WeakPolarHBondContact O-CA 3.39Å; L59-T107 PolarHBondContact O-N 2.94Å
60	V	97.9	Very high	91.6	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.9	-176.7	-171.1	0	0	0	0	110.6	T34 I35 I36 G37 T58 T107 P110 A113	T34-V60 HydrophobicContact CG2-CG2 3.84Å; I35-V60 PolarHBondContact O-N 2.58Å; I36-V60 HydrophobicContact CD1-CB 3.68Å; I36-V60 HydrophobicContact CD1-CG1 4.2Å; I36-V60 HydrophobicContact CD1-CG2 3.72Å; G37-V60 PolarHBondContact N-O 3.22Å; T58-V60 HydrophobicContact CG2-CG2 4.2Å; V60-T107 VanDerWaalsContact CA-O 3.28Å; V60-T107 WeakPolarHBondContact CA-O 3.26Å; V60-T107 WeakPolarHBondContact CG1-O 3.48Å; V60-T107 HydrophobicContact CG2-CG2 3.83Å; V60-P110 HydrophobicContact CG1-CB 3.98Å; V60-A113 HydrophobicContact CG2-CB 3.49Å; V60-A113 VanDerWaalsContact CG2-CB 3.49Å
61	D	97.3	Very high	91.9	Very high	26 Å²	26	53.7 Å²	53.7	14%	0.139	30%	0.297	C	S	.	.			trans	-151.1	174.6	170.5	-149.2	-60.5	0	0	0	110.1	G38 T63 I66 L67 T107 T108	G38-D61 WeakPolarHBondContact CA-OD2 3.19Å; G38-D61 PolarHBondContact N-OD2 2.85Å; D61-T63 PolarHBondContact O-N 3.28Å; D61-I66 HydrophobicContact CB-CB 4.37Å; D61-I66 HydrophobicContact CB-CG2 4.05Å; D61-I66 VanDerWaalsContact CG-CG2 3.43Å; D61-I66 WeakPolarHBondContact OD1-CD1 3.33Å; D61-I66 VanDerWaalsContact OD2-CG2 3.29Å; D61-I66 WeakPolarHBondContact OD2-CG2 3.42Å; D61-L67 HydrophobicContact CB-CD2 3.84Å; D61-L67 HydrophobicContact CB-CG 3.96Å; D61-T107 PolarHBondContact N-O 3.42Å; D61-T108 VanDerWaalsContact O-CA 3.29Å; D61-T108 WeakPolarHBondContact O-CA 3.47Å
62	M	94.2	Very high	92.4	Very high	156 Å²	156	60.1 Å²	60.1	77%	0.768	32%	0.32	S	S	*	.	S	Bend	trans	-69.1	-30.8	-173.6	-61.4	-172.3	-67.9	0	0	113.7
63	T	95.1	Very high	93.1	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.38	32%	0.321	S	S	.	.			trans	-139.1	150.7	-175.8	73.8	0	0	0	0	112.7	D61 D65 I66 L67	D61-T63 PolarHBondContact O-N 3.28Å; T63-D65 PolarHBondContact O-N 3.07Å; T63-I66 PolarHBondContact O-N 3.37Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.45Å; T63-I66 PolarHBondContact OG1-N 3.46Å; T63-L67 PolarHBondContact O-N 3Å
64	D	95.7	Very high	94.2	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-27.9	176	-67.9	-39.6	0	0	0	112.6	L67 K68	D64-L67 PolarHBondContact O-N 2.83Å; D64-K68 WeakPolarHBondContact O-CB 3.47Å; D64-K68 WeakPolarHBondContact O-CG 3.3Å; D64-K68 PolarHBondContact O-N 3.07Å
65	D	95.7	Very high	95.2	Very high	114 Å²	114	59 Å²	59	61%	0.61	30%	0.303	S	S	*	.	H	α-helix	trans	-70.3	-37.7	179.3	-70.7	-20	0	0	0	112.2	T63 K68 K69	T63-D65 PolarHBondContact O-N 3.07Å; D65-K68 IonicContact OD1-NZ 3.57Å; D65-K69 WeakPolarHBondContact O-CB 3.42Å; D65-K69 PolarHBondContact O-N 2.96Å
66	I	94.3	Very high	95.5	Very high	57 Å²	57	59.1 Å²	59.1	29%	0.292	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-43.7	173.1	-61.7	169.1	0	0	0	109.6	D61 T63 K69 A70	D61-I66 HydrophobicContact CB-CB 4.37Å; D61-I66 HydrophobicContact CB-CG2 4.05Å; D61-I66 VanDerWaalsContact CG-CG2 3.43Å; D61-I66 WeakPolarHBondContact OD1-CD1 3.33Å; D61-I66 VanDerWaalsContact OD2-CG2 3.29Å; D61-I66 WeakPolarHBondContact OD2-CG2 3.42Å; T63-I66 PolarHBondContact O-N 3.37Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.45Å; T63-I66 PolarHBondContact OG1-N 3.46Å; I66-K69 WeakPolarHBondContact O-CB 3.37Å; I66-K69 PolarHBondContact O-N 2.84Å; I66-A70 WeakPolarHBondContact O-CB 3.13Å; I66-A70 PolarHBondContact O-N 3.09Å
67	L	96.4	Very high	95.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-43.8	178.4	-68	164.2	0	0	0	112.1	L59 D61 T63 D64 K69 A70 M71 T106 T107 T108	L59-L67 HydrophobicContact CB-CD2 4.44Å; L59-L67 HydrophobicContact CD2-CD2 4.14Å; L59-L67 HydrophobicContact CG-CD2 3.91Å; D61-L67 HydrophobicContact CB-CD2 3.84Å; D61-L67 HydrophobicContact CB-CG 3.96Å; T63-L67 PolarHBondContact O-N 3Å; D64-L67 PolarHBondContact O-N 2.83Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.3Å; L67-A70 WeakPolarHBondContact O-CB 3.11Å; L67-A70 PolarHBondContact O-N 2.86Å; L67-M71 WeakPolarHBondContact O-CB 3.26Å; L67-M71 VanDerWaalsContact O-CG 3.32Å; L67-M71 WeakPolarHBondContact O-CG 3.28Å; L67-M71 PolarHBondContact O-N 2.97Å; L67-T106 HydrophobicContact CB-CG2 4.27Å; L67-T106 HydrophobicContact CD2-CG2 4.13Å; L67-T107 WeakPolarHBondContact CD1-O 3.48Å; L67-T108 HydrophobicContact CD1-CG2 3.8Å
68	K	96.3	Very high	95.3	Very high	134 Å²	134	57.5 Å²	57.5	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-58.6	-42.5	173.1	-74.7	166.8	-168.5	164.4	0	111.4	D64 D65 K72	D64-K68 WeakPolarHBondContact O-CB 3.47Å; D64-K68 WeakPolarHBondContact O-CG 3.3Å; D64-K68 PolarHBondContact O-N 3.07Å; D65-K68 IonicContact OD1-NZ 3.57Å; K68-K72 WeakPolarHBondContact O-CB 3.29Å; K68-K72 PolarHBondContact O-N 3.45Å
69	K	95.9	Very high	95	Very high	167 Å²	167	63.5 Å²	63.5	73%	0.726	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-42.4	176.3	-173.7	180	178.6	-177.8	0	111.5	D65 I66 L67 K72 G73	D65-K69 WeakPolarHBondContact O-CB 3.42Å; D65-K69 PolarHBondContact O-N 2.96Å; I66-K69 WeakPolarHBondContact O-CB 3.37Å; I66-K69 PolarHBondContact O-N 2.84Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.3Å; K69-K72 PolarHBondContact O-N 2.94Å; K69-G73 PolarHBondContact O-N 2.99Å
70	A	95.9	Very high	94.6	Very high	6 Å²	6	71.5 Å²	71.5	5%	0.05	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-49.9	176	0	0	0	0	0	111.2	G38 A43 L59 I66 L67 K72 G73 I74	G38-A70 WeakPolarHBondContact O-CB 3.47Å; A43-A70 HydrophobicContact CB-CB 4.2Å; L59-A70 HydrophobicContact CD2-CB 3.72Å; I66-A70 WeakPolarHBondContact O-CB 3.13Å; I66-A70 PolarHBondContact O-N 3.09Å; L67-A70 WeakPolarHBondContact O-CB 3.11Å; L67-A70 PolarHBondContact O-N 2.86Å; A70-K72 PolarHBondContact O-N 2.83Å; A70-G73 CarbonylContact O-C 3.29Å; A70-G73 WeakPolarHBondContact O-CA 3.46Å; A70-G73 PolarHBondContact O-N 2.95Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.65Å
71	M	96.5	Very high	94.1	Very high	34 Å²	34	72.6 Å²	72.6	17%	0.167	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-41.6	178	-68.9	-58.1	-82	0	0	112.4	L67 G73 I74 Q75 M101 V104 T106	L67-M71 WeakPolarHBondContact O-CB 3.26Å; L67-M71 VanDerWaalsContact O-CG 3.32Å; L67-M71 WeakPolarHBondContact O-CG 3.28Å; L67-M71 PolarHBondContact O-N 2.97Å; M71-G73 VanDerWaalsContact C-N 3.31Å; M71-G73 PolarHBondContact O-N 2.73Å; M71-I74 PolarHBondContact O-N 3.14Å; M71-I74 HydrophobicContact SD-CD1 4.1Å; M71-Q75 PolarHBondContact O-N 3.16Å; M71-M101 HydrophobicContact CE-CE 3.44Å; M71-M101 VanDerWaalsContact CE-CE 3.44Å; M71-M101 HydrophobicContact CE-SD 4.42Å; M71-M101 HydrophobicContact SD-CE 4.46Å; M71-V104 HydrophobicContact CE-CB 4.03Å; M71-V104 HydrophobicContact CE-CG1 3.9Å; M71-V104 HydrophobicContact SD-CB 4.35Å; M71-V104 HydrophobicContact SD-CG1 3.6Å; M71-T106 HydrophobicContact CE-CG2 4.47Å; M71-T106 HydrophobicContact CG-CG2 3.65Å; M71-T106 HydrophobicContact SD-CG2 3.76Å
72	K	95.4	Very high	93.6	Very high	162 Å²	162	71.9 Å²	71.9	70%	0.704	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-39.2	172.4	-173.1	177.8	-178.4	178.4	0	111.8	K68 K69 A70 Q75 G76	K68-K72 WeakPolarHBondContact O-CB 3.29Å; K68-K72 PolarHBondContact O-N 3.45Å; K69-K72 PolarHBondContact O-N 2.94Å; A70-K72 PolarHBondContact O-N 2.83Å; K72-Q75 PolarHBondContact O-N 2.71Å; K72-G76 PolarHBondContact O-N 3.13Å
73	G	94.1	Very high	93.3	Very high	39 Å²	39	72.6 Å²	72.6	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.9	0	0	0	0	0	112.6	K69 A70 M71 G76 S77	K69-G73 PolarHBondContact O-N 2.99Å; A70-G73 CarbonylContact O-C 3.29Å; A70-G73 WeakPolarHBondContact O-CA 3.46Å; A70-G73 PolarHBondContact O-N 2.95Å; M71-G73 VanDerWaalsContact C-N 3.31Å; M71-G73 PolarHBondContact O-N 2.73Å; G73-G76 PolarHBondContact O-N 3.42Å; G73-S77 VanDerWaalsContact O-CB 3.32Å; G73-S77 WeakPolarHBondContact O-CB 3.3Å; G73-S77 PolarHBondContact O-N 3.19Å
74	I	94.6	Very high	92.8	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-51.7	175.1	-67.3	171	0	0	0	109.8	A43 A46 Q47 A70 M71 G76 S77 L78 M101	A43-I74 HydrophobicContact CB-CD1 4.32Å; A43-I74 HydrophobicContact CB-CG1 4.07Å; A43-I74 WeakPolarHBondContact O-CG1 3.33Å; A46-I74 HydrophobicContact CB-CD1 4.12Å; Q47-I74 HydrophobicContact CB-CG1 4.26Å; Q47-I74 HydrophobicContact CB-CG2 3.94Å; Q47-I74 HydrophobicContact CG-CG2 4.08Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.65Å; M71-I74 PolarHBondContact O-N 3.14Å; M71-I74 HydrophobicContact SD-CD1 4.1Å; I74-G76 VanDerWaalsContact C-N 3.35Å; I74-G76 PolarHBondContact O-N 3.12Å; I74-S77 WeakPolarHBondContact O-CB 3.38Å; I74-S77 PolarHBondContact O-N 3.28Å; I74-S77 VanDerWaalsContact O-N 3.12Å; I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CG 3.48Å; I74-L78 PolarHBondContact O-N 3.48Å; I74-M101 HydrophobicContact CG2-SD 3.83Å
75	Q	93.8	Very high	92.2	Very high	74 Å²	74	80.4 Å²	80.4	35%	0.346	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-44.6	179.3	-168.2	-177.9	17.7	0	0	112.1	M71 K72 S77 L78 R79 I97 M101	M71-Q75 PolarHBondContact O-N 3.16Å; K72-Q75 PolarHBondContact O-N 2.71Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.28Å; Q75-L78 PolarHBondContact O-N 3.17Å; Q75-R79 WeakPolarHBondContact O-CG 3.3Å; Q75-R79 PolarHBondContact O-N 3.36Å; Q75-I97 HydrophobicContact CG-CG2 4.49Å; Q75-M101 HydrophobicContact CB-CE 4.44Å; Q75-M101 HydrophobicContact CB-SD 4.47Å
76	G	92.8	Very high	91.7	Very high	30 Å²	30	77.9 Å²	77.9	31%	0.309	36%	0.361	S	S	.	.	H	α-helix	trans	-68.3	-28	177.8	0	0	0	0	0	113.9	K72 G73 I74 R80	K72-G76 PolarHBondContact O-N 3.13Å; G73-G76 PolarHBondContact O-N 3.42Å; I74-G76 VanDerWaalsContact C-N 3.35Å; I74-G76 PolarHBondContact O-N 3.12Å; G76-R80 PolarHBondContact O-NE 2.89Å
77	S	91.8	Very high	91.1	Very high	22 Å²	22	78.8 Å²	78.8	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-73.7	-46.3	172.4	176.5	0	0	0	0	111.2	Q47 G73 I74 Q75 R79 R80 V81	Q47-S77 PolarHBondContact NE2-OG 2.89Å; Q47-S77 PolarHBondContact OE1-OG 3.08Å; G73-S77 VanDerWaalsContact O-CB 3.32Å; G73-S77 WeakPolarHBondContact O-CB 3.3Å; G73-S77 PolarHBondContact O-N 3.19Å; I74-S77 WeakPolarHBondContact O-CB 3.38Å; I74-S77 PolarHBondContact O-N 3.28Å; I74-S77 VanDerWaalsContact O-N 3.12Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.28Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact O-N 2.9Å; S77-R80 WeakPolarHBondContact O-CA 3.3Å; S77-R80 WeakPolarHBondContact O-CB 3.25Å; S77-R80 PolarHBondContact O-N 3.19Å; S77-V81 PolarHBondContact O-N 2.94Å
78	L	91.8	Very high	90.7	Very high	1 Å²	1	86.1 Å²	86.1	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-58.4	-42.8	176.4	-72.4	168.4	0	0	0	112.1	Q47 I74 Q75 R80 V81 V82 F96 I97 V100 M101	Q47-L78 HydrophobicContact CG-CD2 3.79Å; Q47-L78 HydrophobicContact CG-CG 4.01Å; I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CG 3.48Å; I74-L78 PolarHBondContact O-N 3.48Å; Q75-L78 PolarHBondContact O-N 3.17Å; L78-R80 PolarHBondContact O-N 2.75Å; L78-V81 WeakPolarHBondContact O-CB 3.05Å; L78-V81 PolarHBondContact O-N 3.27Å; L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 2.88Å; L78-F96 HydrophobicContact CD2-CE1 4Å; L78-I97 HydrophobicContact CB-CG1 4.07Å; L78-I97 HydrophobicContact CD1-CG2 4.4Å; L78-V100 HydrophobicContact CD1-CB 3.98Å; L78-V100 HydrophobicContact CD1-CG1 3.72Å; L78-V100 HydrophobicContact CD2-CB 4.47Å; L78-V100 HydrophobicContact CD2-CG1 4.12Å; L78-V100 HydrophobicContact CD2-CG2 4.25Å; L78-M101 HydrophobicContact CD1-CG 4.35Å; L78-M101 HydrophobicContact CD1-SD 4.09Å
79	R	91.5	Very high	90.2	Very high	150 Å²	150	83 Å²	83	57%	0.566	40%	0.401	S	S	*	.	H	α-helix	trans	-56.2	-37.9	173.7	-73.8	179.7	-177.8	-171.5	1.8	112.9	Q75 S77 K83 I97	Q75-R79 WeakPolarHBondContact O-CG 3.3Å; Q75-R79 PolarHBondContact O-N 3.36Å; S77-R79 VanDerWaalsContact C-N 3.34Å; S77-R79 PolarHBondContact O-N 2.9Å; R79-K83 WeakPolarHBondContact O-CB 3.44Å; R79-K83 PolarHBondContact O-N 3.38Å; R79-I97 HydrophobicContact CG-CD1 3.83Å
80	R	89.6	Confident	89.7	Confident	168 Å²	168	79.4 Å²	79.4	63%	0.634	40%	0.395	S	S	*	.	H	α-helix	trans	-71	-36.7	176.3	-73.9	176.9	-83.1	150.2	-8.2	112.1	G76 S77 L78	G76-R80 PolarHBondContact O-NE 2.89Å; S77-R80 WeakPolarHBondContact O-CA 3.3Å; S77-R80 WeakPolarHBondContact O-CB 3.25Å; S77-R80 PolarHBondContact O-N 3.19Å; L78-R80 PolarHBondContact O-N 2.75Å
81	V	86.6	Confident	89.3	Confident	26 Å²	26	86.2 Å²	86.2	16%	0.158	43%	0.426	C	S	.	.	H	α-helix	trans	-66.5	-47.3	174.9	173.5	0	0	0	0	110.4	S77 L78 K83 K84 K85	S77-V81 PolarHBondContact O-N 2.94Å; L78-V81 WeakPolarHBondContact O-CB 3.05Å; L78-V81 PolarHBondContact O-N 3.27Å; V81-K83 PolarHBondContact O-N 2.88Å; V81-K84 PolarHBondContact O-N 3.06Å; V81-K84 VanDerWaalsContact O-N 3.1Å; V81-K85 HydrophobicContact CG1-CD 3.98Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 PolarHBondContact O-N 2.82Å
82	V	88.6	Confident	88.9	Confident	12 Å²	12	87 Å²	87	7%	0.073	43%	0.434	C	S	.	.	H	α-helix	trans	-63.1	-43.6	-179.4	166.8	0	0	0	0	111.5	L78 K84 K85 F86 F96 I97	L78-V82 WeakPolarHBondContact O-CB 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 2.88Å; V82-K84 PolarHBondContact O-N 3.37Å; V82-K85 PolarHBondContact O-N 3.45Å; V82-K85 VanDerWaalsContact O-N 3.13Å; V82-F86 HydrophobicContact CB-CD2 4.28Å; V82-F86 HydrophobicContact CG1-CB 4.09Å; V82-F86 HydrophobicContact CG1-CD2 4.06Å; V82-F86 HydrophobicContact CG1-CG 4.45Å; V82-F86 HydrophobicContact CG2-CD2 4.09Å; V82-F86 HydrophobicContact CG2-CE2 4.4Å; V82-F86 WeakPolarHBondContact O-CA 3.06Å; V82-F86 PolarHBondContact O-N 3.43Å; V82-F96 HydrophobicContact CG2-CD1 3.75Å; V82-F96 HydrophobicContact CG2-CE1 4.43Å; V82-I97 HydrophobicContact CB-CD1 4.5Å; V82-I97 HydrophobicContact CG2-CD1 4.14Å; V82-I97 HydrophobicContact CG2-CG1 3.9Å
83	K	87.2	Confident	88.5	Confident	170 Å²	170	79.2 Å²	79.2	74%	0.739	40%	0.401	S	S	*	.	H	α-helix	trans	-55.4	-28.1	175.1	-172	174.7	-177.9	178.6	0	113.5	R79 V81	R79-K83 WeakPolarHBondContact O-CB 3.44Å; R79-K83 PolarHBondContact O-N 3.38Å; V81-K83 PolarHBondContact O-N 2.88Å
84	K	84.8	Confident	88.3	Confident	161 Å²	161	82 Å²	82	70%	0.7	41%	0.406	S	S	*	.	H	α-helix	trans	-90.1	-37	176.9	-71.3	-174.1	176	-173.7	0	113.5	V81 V82	V81-K84 PolarHBondContact O-N 3.06Å; V81-K84 VanDerWaalsContact O-N 3.1Å; V82-K84 PolarHBondContact O-N 3.37Å
85	K	82.6	Confident	88.1	Confident	157 Å²	157	86.5 Å²	86.5	68%	0.683	43%	0.431	S	S	*	.	H	α-helix	trans	-89.5	-30.1	-174.3	-75.5	-168.4	175.5	-176.1	0	113.9	V81 V82	V81-K85 HydrophobicContact CG1-CD 3.98Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 PolarHBondContact O-N 2.82Å; V82-K85 PolarHBondContact O-N 3.45Å; V82-K85 VanDerWaalsContact O-N 3.13Å
86	F	84.7	Confident	88	Confident	62 Å²	62	85.4 Å²	85.4	27%	0.272	43%	0.425	S	S	.	.	S	Bend	trans	-123.9	42	-175.8	-59	-90.4	0	0	0	109.9	V82 D88 D89 F96	V82-F86 HydrophobicContact CB-CD2 4.28Å; V82-F86 HydrophobicContact CG1-CB 4.09Å; V82-F86 HydrophobicContact CG1-CD2 4.06Å; V82-F86 HydrophobicContact CG1-CG 4.45Å; V82-F86 HydrophobicContact CG2-CD2 4.09Å; V82-F86 HydrophobicContact CG2-CE2 4.4Å; V82-F86 WeakPolarHBondContact O-CA 3.06Å; V82-F86 PolarHBondContact O-N 3.43Å; F86-D88 PolarHBondContact O-N 3.17Å; F86-D89 WeakPolarHBondContact CB-O 3.46Å; F86-D89 CarbonylContact O-C 3.48Å; F86-D89 PolarHBondContact O-N 3.44Å; F86-F96 HydrophobicContact CE2-CB 4.34Å; F86-F96 HydrophobicContact CE2-CD1 4.33Å; F86-F96 HydrophobicContact CE2-CG 4.21Å; F86-F96 HydrophobicContact CZ-CB 4.37Å; F86-F96 HydrophobicContact CZ-CG 4.41Å
87	S	82.9	Confident	87.9	Confident	76 Å²	76	84.5 Å²	84.5	53%	0.531	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	-179.5	50.1	0	0	0	0	112.8
88	D	86.7	Confident	87.9	Confident	156 Å²	156	88.9 Å²	88.9	83%	0.834	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.7	-173.4	-49.7	-34.9	0	0	0	112.7	F86	F86-D88 PolarHBondContact O-N 3.17Å
89	D	87.3	Confident	87.9	Confident	69 Å²	69	95.6 Å²	95.6	37%	0.369	46%	0.46	S	S	.	.			trans	-145.5	81	-178.7	-174.7	-1.1	0	0	0	111.9	F86 E91 S92 G93	F86-D89 WeakPolarHBondContact CB-O 3.46Å; F86-D89 CarbonylContact O-C 3.48Å; F86-D89 PolarHBondContact O-N 3.44Å; D89-E91 VanDerWaalsContact C-N 3.28Å; D89-E91 PolarHBondContact O-N 3.32Å; D89-E91 PolarHBondContact OD1-N 3.03Å; D89-S92 VanDerWaalsContact CG-OG 3.3Å; D89-S92 PolarHBondContact OD1-N 3.48Å; D89-S92 WeakPolarHBondContact OD2-CB 3.41Å; D89-S92 PolarHBondContact OD2-OG 3.35Å; D89-G93 PolarHBondContact O-N 3.44Å
90	P	85	Confident	87.9	Confident	92 Å²	92	88.5 Å²	88.5	60%	0.597	43%	0.433	S	S	*	.	H	α-helix	trans	-62.5	-31	-178.4	-24.2	35.3	0	0	0	114.3	G93 D94	P90-G93 WeakPolarHBondContact O-CA 3.4Å; P90-G93 PolarHBondContact O-N 2.92Å; P90-D94 PolarHBondContact O-N 2.94Å
91	E	87.3	Confident	88	Confident	149 Å²	149	82.5 Å²	82.5	70%	0.696	41%	0.413	S	S	*	.	H	α-helix	trans	-69	-49.1	-176.1	-169.8	173.1	-169.8	0	0	110.7	D89 G93 D94 D95	D89-E91 VanDerWaalsContact C-N 3.28Å; D89-E91 PolarHBondContact O-N 3.32Å; D89-E91 PolarHBondContact OD1-N 3.03Å; E91-G93 PolarHBondContact O-N 2.78Å; E91-D94 PolarHBondContact O-N 3.13Å; E91-D94 VanDerWaalsContact O-N 3.11Å; E91-D95 PolarHBondContact O-N 3.04Å; E91-D95 VanDerWaalsContact O-N 3.11Å
92	S	87.8	Confident	88.4	Confident	49 Å²	49	88.4 Å²	88.4	34%	0.343	44%	0.439	S	S	.	.	H	α-helix	trans	-58.4	-30.6	170.9	-70.2	0	0	0	0	112.7	D89 F96	D89-S92 VanDerWaalsContact CG-OG 3.3Å; D89-S92 PolarHBondContact OD1-N 3.48Å; D89-S92 WeakPolarHBondContact OD2-CB 3.41Å; D89-S92 PolarHBondContact OD2-OG 3.35Å; S92-F96 WeakPolarHBondContact O-CB 3.49Å; S92-F96 PolarHBondContact O-N 3.17Å
93	G	87.9	Confident	88.6	Confident	0 Å²	0	89.9 Å²	89.9	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-64.1	-45.8	174.9	0	0	0	0	0	113.7	D89 P90 E91 F96 I97	D89-G93 PolarHBondContact O-N 3.44Å; P90-G93 WeakPolarHBondContact O-CA 3.4Å; P90-G93 PolarHBondContact O-N 2.92Å; E91-G93 PolarHBondContact O-N 2.78Å; G93-F96 PolarHBondContact O-N 3.16Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.43Å; G93-I97 VanDerWaalsContact O-N 3.17Å
94	D	89.4	Confident	89	Confident	96 Å²	96	82.3 Å²	82.3	51%	0.513	41%	0.414	S	S	.	.	H	α-helix	trans	-69.6	-39	178.7	-79.4	-24.6	0	0	0	111.7	P90 E91 F96 I97 Q98	P90-D94 PolarHBondContact O-N 2.94Å; E91-D94 PolarHBondContact O-N 3.13Å; E91-D94 VanDerWaalsContact O-N 3.11Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.46Å; D94-I97 PolarHBondContact O-N 3.04Å; D94-I97 VanDerWaalsContact O-N 3.16Å; D94-Q98 WeakPolarHBondContact O-CG 3.49Å; D94-Q98 PolarHBondContact O-N 3.43Å
95	D	91	Very high	89.5	Confident	97 Å²	97	77 Å²	77	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-41.7	173.2	-80.2	-6.6	0	0	0	111.9	E91 I97 Q98 K99	E91-D95 PolarHBondContact O-N 3.04Å; E91-D95 VanDerWaalsContact O-N 3.11Å; D95-I97 VanDerWaalsContact C-N 3.34Å; D95-I97 PolarHBondContact O-N 3.44Å; D95-Q98 PolarHBondContact O-N 2.94Å; D95-K99 WeakPolarHBondContact O-CB 3.47Å; D95-K99 PolarHBondContact O-N 3.44Å
96	F	90.3	Very high	90.2	Very high	50 Å²	50	72.5 Å²	72.5	22%	0.219	38%	0.383	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.4	176.8	-100.9	0	0	0	111.6	A51 L78 V82 F86 S92 G93 D94 K99 V100	A51-F96 HydrophobicContact CB-CZ 3.98Å; L78-F96 HydrophobicContact CD2-CE1 4Å; V82-F96 HydrophobicContact CG2-CD1 3.75Å; V82-F96 HydrophobicContact CG2-CE1 4.43Å; F86-F96 HydrophobicContact CE2-CB 4.34Å; F86-F96 HydrophobicContact CE2-CD1 4.33Å; F86-F96 HydrophobicContact CE2-CG 4.21Å; F86-F96 HydrophobicContact CZ-CB 4.37Å; F86-F96 HydrophobicContact CZ-CG 4.41Å; S92-F96 WeakPolarHBondContact O-CB 3.49Å; S92-F96 PolarHBondContact O-N 3.17Å; G93-F96 PolarHBondContact O-N 3.16Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.46Å; F96-K99 PolarHBondContact O-N 3.32Å; F96-V100 HydrophobicContact CD1-CG2 4.2Å; F96-V100 HydrophobicContact CD2-CG2 4.35Å; F96-V100 HydrophobicContact CE1-CG2 3.88Å; F96-V100 HydrophobicContact CE2-CG2 4.03Å; F96-V100 HydrophobicContact CG-CG2 4.44Å; F96-V100 HydrophobicContact CZ-CG2 3.79Å; F96-V100 WeakPolarHBondContact O-CG2 3.36Å; F96-V100 PolarHBondContact O-N 3.18Å
97	I	91.6	Very high	90.8	Very high	11 Å²	11	71.4 Å²	71.4	6%	0.056	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-48	177.1	-64.8	171.7	0	0	0	110.3	Q75 L78 R79 V82 G93 D94 D95 K99 V100 M101	Q75-I97 HydrophobicContact CG-CG2 4.49Å; L78-I97 HydrophobicContact CB-CG1 4.07Å; L78-I97 HydrophobicContact CD1-CG2 4.4Å; R79-I97 HydrophobicContact CG-CD1 3.83Å; V82-I97 HydrophobicContact CB-CD1 4.5Å; V82-I97 HydrophobicContact CG2-CD1 4.14Å; V82-I97 HydrophobicContact CG2-CG1 3.9Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.43Å; G93-I97 VanDerWaalsContact O-N 3.17Å; D94-I97 PolarHBondContact O-N 3.04Å; D94-I97 VanDerWaalsContact O-N 3.16Å; D95-I97 VanDerWaalsContact C-N 3.34Å; D95-I97 PolarHBondContact O-N 3.44Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 2.95Å; I97-V100 PolarHBondContact O-N 3.34Å; I97-M101 HydrophobicContact CG2-CG 4.13Å; I97-M101 WeakPolarHBondContact O-CB 3.21Å; I97-M101 WeakPolarHBondContact O-CG 3.46Å; I97-M101 PolarHBondContact O-N 3.04Å
98	Q	91.8	Very high	91.5	Very high	115 Å²	115	70.7 Å²	70.7	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-46.3	-179.8	-71.2	-172.1	18.6	0	0	111.5	D94 D95 V100 M101 Q102	D94-Q98 WeakPolarHBondContact O-CG 3.49Å; D94-Q98 PolarHBondContact O-N 3.43Å; D95-Q98 PolarHBondContact O-N 2.94Å; Q98-V100 PolarHBondContact O-N 3.3Å; Q98-M101 PolarHBondContact O-N 3.17Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.44Å; Q98-Q102 PolarHBondContact O-N 3.2Å
99	K	90.9	Very high	92	Very high	141 Å²	141	67 Å²	67	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-60.1	-43.7	178.5	-173.8	176.1	-177.9	177	0	112.5	D95 F96 I97 N103	D95-K99 WeakPolarHBondContact O-CB 3.47Å; D95-K99 PolarHBondContact O-N 3.44Å; F96-K99 PolarHBondContact O-N 3.32Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 2.95Å; K99-N103 PolarHBondContact O-N 3.27Å; K99-N103 PolarHBondContact O-ND2 3.46Å
100	V	91.6	Very high	92.2	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-46.3	177.2	179	0	0	0	0	110.2	A50 A51 L78 F96 I97 Q98 Q102 N103	A50-V100 HydrophobicContact CB-CG1 3.82Å; A51-V100 HydrophobicContact CB-CG1 4.14Å; A51-V100 HydrophobicContact CB-CG2 3.95Å; L78-V100 HydrophobicContact CD1-CB 3.98Å; L78-V100 HydrophobicContact CD1-CG1 3.72Å; L78-V100 HydrophobicContact CD2-CB 4.47Å; L78-V100 HydrophobicContact CD2-CG1 4.12Å; L78-V100 HydrophobicContact CD2-CG2 4.25Å; F96-V100 HydrophobicContact CD1-CG2 4.2Å; F96-V100 HydrophobicContact CD2-CG2 4.35Å; F96-V100 HydrophobicContact CE1-CG2 3.88Å; F96-V100 HydrophobicContact CE2-CG2 4.03Å; F96-V100 HydrophobicContact CG-CG2 4.44Å; F96-V100 HydrophobicContact CZ-CG2 3.79Å; F96-V100 WeakPolarHBondContact O-CG2 3.36Å; F96-V100 PolarHBondContact O-N 3.18Å; I97-V100 PolarHBondContact O-N 3.34Å; Q98-V100 PolarHBondContact O-N 3.3Å; V100-Q102 VanDerWaalsContact C-N 3.34Å; V100-Q102 PolarHBondContact O-N 3.11Å; V100-N103 PolarHBondContact O-N 3.11Å; V100-N103 VanDerWaalsContact O-N 3.17Å
101	M	92.8	Very high	92.6	Very high	42 Å²	42	61.9 Å²	61.9	21%	0.207	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-32.9	-176.8	-67	-64.3	-66.3	0	0	112.6	M71 I74 Q75 L78 I97 Q98 N103 V104	M71-M101 HydrophobicContact CE-CE 3.44Å; M71-M101 VanDerWaalsContact CE-CE 3.44Å; M71-M101 HydrophobicContact CE-SD 4.42Å; M71-M101 HydrophobicContact SD-CE 4.46Å; I74-M101 HydrophobicContact CG2-SD 3.83Å; Q75-M101 HydrophobicContact CB-CE 4.44Å; Q75-M101 HydrophobicContact CB-SD 4.47Å; L78-M101 HydrophobicContact CD1-CG 4.35Å; L78-M101 HydrophobicContact CD1-SD 4.09Å; I97-M101 HydrophobicContact CG2-CG 4.13Å; I97-M101 WeakPolarHBondContact O-CB 3.21Å; I97-M101 WeakPolarHBondContact O-CG 3.46Å; I97-M101 PolarHBondContact O-N 3.04Å; Q98-M101 PolarHBondContact O-N 3.17Å; M101-N103 PolarHBondContact O-N 3.16Å; M101-V104 PolarHBondContact O-N 2.8Å
102	Q	93.8	Very high	92.9	Very high	149 Å²	149	57.2 Å²	57.2	70%	0.696	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-27.5	174.3	-75.7	171.8	5	0	0	112.9	Q98 V100 V104	Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.44Å; Q98-Q102 PolarHBondContact O-N 3.2Å; V100-Q102 VanDerWaalsContact C-N 3.34Å; V100-Q102 PolarHBondContact O-N 3.11Å; Q102-V104 VanDerWaalsContact C-N 3.33Å
103	N	93.9	Very high	93.2	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.3	178.2	-68.9	-19.8	0	0	0	113.2	A50 V57 K99 V100 M101	A50-N103 HydrophobicContact CB-CB 4.11Å; V57-N103 PolarHBondContact N-O 3.29Å; K99-N103 PolarHBondContact O-N 3.27Å; K99-N103 PolarHBondContact O-ND2 3.46Å; V100-N103 PolarHBondContact O-N 3.11Å; V100-N103 VanDerWaalsContact O-N 3.17Å; M101-N103 PolarHBondContact O-N 3.16Å
104	V	95.3	Very high	93.5	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	107.2	-180	-174.7	0	0	0	0	109.9	A50 V57 M71 M101 Q102	A50-V104 HydrophobicContact CB-CG2 3.47Å; A50-V104 VanDerWaalsContact CB-CG2 3.47Å; V57-V104 HydrophobicContact CB-CG2 4.35Å; M71-V104 HydrophobicContact CE-CB 4.03Å; M71-V104 HydrophobicContact CE-CG1 3.9Å; M71-V104 HydrophobicContact SD-CB 4.35Å; M71-V104 HydrophobicContact SD-CG1 3.6Å; M101-V104 PolarHBondContact O-N 2.8Å; Q102-V104 VanDerWaalsContact C-N 3.33Å
105	S	96	Very high	93.8	Very high	51 Å²	51	54.3 Å²	54.3	36%	0.357	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	154.8	169.4	61.7	0	0	0	0	110.7	V57 T58 L59	V57-S105 PolarHBondContact O-N 3.12Å; V57-S105 PolarHBondContact O-OG 2.75Å; T58-S105 CarbonylContact C-O 3.55Å; T58-S105 WeakPolarHBondContact CA-O 3.4Å; T58-S105 WeakPolarHBondContact CA-OG 3.16Å; T58-S105 PolarHBondContact OG1-OG 3.02Å; L59-S105 PolarHBondContact N-O 3.27Å
106	T	97.3	Very high	93.8	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.38	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.1	177.9	58	0	0	0	0	111	L59 L67 M71	L59-T106 HydrophobicContact CB-CG2 4.35Å; L59-T106 VanDerWaalsContact O-CA 3.27Å; L59-T106 WeakPolarHBondContact O-CA 3.39Å; L67-T106 HydrophobicContact CB-CG2 4.27Å; L67-T106 HydrophobicContact CD2-CG2 4.13Å; M71-T106 HydrophobicContact CE-CG2 4.47Å; M71-T106 HydrophobicContact CG-CG2 3.65Å; M71-T106 HydrophobicContact SD-CG2 3.76Å
107	T	97.3	Very high	94	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.233	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.5	174.2	-179.4	0	0	0	0	111.2	T58 L59 V60 D61 L67 N109 A113	T58-T107 HydrophobicContact CG2-CG2 3.62Å; L59-T107 PolarHBondContact O-N 2.94Å; V60-T107 VanDerWaalsContact CA-O 3.28Å; V60-T107 WeakPolarHBondContact CA-O 3.26Å; V60-T107 WeakPolarHBondContact CG1-O 3.48Å; V60-T107 HydrophobicContact CG2-CG2 3.83Å; D61-T107 PolarHBondContact N-O 3.42Å; L67-T107 WeakPolarHBondContact CD1-O 3.48Å; T107-N109 PolarHBondContact OG1-N 2.82Å; T107-N109 VanDerWaalsContact OG1-N 3.1Å; T107-A113 HydrophobicContact CG2-CB 3.78Å
108	T	97	Very high	94.3	Very high	62 Å²	62	51.9 Å²	51.9	38%	0.38	29%	0.291	S	S	.	.	S	Bend	trans	-93.2	-1.8	171.1	53.6	0	0	0	0	113	D61 L67 P110	D61-T108 VanDerWaalsContact O-CA 3.29Å; D61-T108 WeakPolarHBondContact O-CA 3.47Å; L67-T108 HydrophobicContact CD1-CG2 3.8Å; T108-P110 WeakPolarHBondContact O-CD 3.26Å
109	N	95.9	Very high	94.6	Very high	79 Å²	79	46.4 Å²	46.4	42%	0.422	27%	0.265	S	S	.	.			trans	-104.4	97.4	-178.6	-173.5	-18.8	0	0	0	111.2	T107 A111 A112 A113	T107-N109 PolarHBondContact OG1-N 2.82Å; T107-N109 VanDerWaalsContact OG1-N 3.1Å; N109-A111 VanDerWaalsContact C-N 3.31Å; N109-A111 PolarHBondContact O-N 3.48Å; N109-A111 WeakPolarHBondContact OD1-CB 3.28Å; N109-A111 PolarHBondContact OD1-N 3.44Å; N109-A112 HydrophobicContact CB-CB 4.16Å; N109-A112 PolarHBondContact O-N 2.75Å; N109-A112 PolarHBondContact OD1-N 2.78Å; N109-A112 VanDerWaalsContact OD1-N 3.13Å; N109-A113 PolarHBondContact O-N 2.69Å
110	P	93.2	Very high	94.9	Very high	33 Å²	33	39.8 Å²	39.8	21%	0.214	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-33.9	178.4	21	-31.1	0	0	0	113.5	V60 T108 A113 V114 F137 L138	V60-P110 HydrophobicContact CG1-CB 3.98Å; T108-P110 WeakPolarHBondContact O-CD 3.26Å; P110-A113 PolarHBondContact O-N 2.68Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 2.87Å; P110-F137 HydrophobicContact CB-CE1 4.21Å; P110-F137 HydrophobicContact CG-CE1 3.89Å; P110-L138 HydrophobicContact CB-CD2 4Å
111	A	93.6	Very high	95.2	Very high	20 Å²	20	39.7 Å²	39.7	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-47	-179.3	0	0	0	0	0	111.3	N109 A113 V114 T115 F137 M141	N109-A111 VanDerWaalsContact C-N 3.31Å; N109-A111 PolarHBondContact O-N 3.48Å; N109-A111 WeakPolarHBondContact OD1-CB 3.28Å; N109-A111 PolarHBondContact OD1-N 3.44Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.34Å; A111-V114 WeakPolarHBondContact O-CG2 3.4Å; A111-V114 PolarHBondContact O-N 2.95Å; A111-T115 WeakPolarHBondContact O-CG2 3.45Å; A111-F137 HydrophobicContact CB-CE1 4.19Å; A111-F137 HydrophobicContact CB-CZ 3.88Å; A111-M141 HydrophobicContact CB-CG 4.12Å
112	A	93	Very high	95.5	Very high	51 Å²	51	37.7 Å²	37.7	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-61.5	-41.3	176.6	0	0	0	0	0	111.5	N109 V114 T115	N109-A112 HydrophobicContact CB-CB 4.16Å; N109-A112 PolarHBondContact O-N 2.75Å; N109-A112 PolarHBondContact OD1-N 2.78Å; N109-A112 VanDerWaalsContact OD1-N 3.13Å; A112-V114 VanDerWaalsContact C-N 3.31Å; A112-V114 PolarHBondContact O-N 3.1Å; A112-T115 PolarHBondContact O-N 2.88Å; A112-T115 PolarHBondContact O-OG1 3.27Å
113	A	93.7	Very high	95.6	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-32.1	-176.8	0	0	0	0	0	113.9	T34 T58 V60 T107 N109 P110 A111 S117	T34-A113 HydrophobicContact CG2-CB 3.82Å; T34-A113 PolarHBondContact OG1-O 3.27Å; T58-A113 HydrophobicContact CG2-CB 3.81Å; V60-A113 HydrophobicContact CG2-CB 3.49Å; V60-A113 VanDerWaalsContact CG2-CB 3.49Å; T107-A113 HydrophobicContact CG2-CB 3.78Å; N109-A113 PolarHBondContact O-N 2.69Å; P110-A113 PolarHBondContact O-N 2.68Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.34Å; A113-S117 PolarHBondContact O-OG 2.9Å
114	V	95.1	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-89.1	-14	-175.2	-63	0	0	0	0	115.1	T34 P110 A111 A112 T116 S117 V120 L138 M141 A142 P143	T34-V114 HydrophobicContact CG2-CG1 4.09Å; P110-V114 WeakPolarHBondContact O-CG2 3.45Å; P110-V114 PolarHBondContact O-N 2.87Å; A111-V114 WeakPolarHBondContact O-CG2 3.4Å; A111-V114 PolarHBondContact O-N 2.95Å; A112-V114 VanDerWaalsContact C-N 3.31Å; A112-V114 PolarHBondContact O-N 3.1Å; V114-T116 PolarHBondContact O-N 2.76Å; V114-T116 VanDerWaalsContact O-N 3.08Å; V114-S117 WeakPolarHBondContact CA-OG 3.34Å; V114-S117 PolarHBondContact O-N 3.15Å; V114-V120 HydrophobicContact CG1-CG2 3.79Å; V114-L138 HydrophobicContact CB-CD2 4.48Å; V114-L138 HydrophobicContact CG1-CD1 4.3Å; V114-L138 HydrophobicContact CG1-CD2 3.69Å; V114-L138 HydrophobicContact CG1-CG 4.42Å; V114-L138 HydrophobicContact CG2-CD2 4.04Å; V114-M141 HydrophobicContact CG2-CB 3.78Å; V114-A142 HydrophobicContact CB-CB 4.2Å; V114-A142 HydrophobicContact CG2-CB 4.27Å; V114-P143 WeakPolarHBondContact O-CD 3.38Å
115	T	94.1	Very high	95.5	Very high	77 Å²	77	35 Å²	35	47%	0.472	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.7	-176.4	55.8	0	0	0	0	114.7	A111 A112 P143	A111-T115 WeakPolarHBondContact O-CG2 3.45Å; A112-T115 PolarHBondContact O-N 2.88Å; A112-T115 PolarHBondContact O-OG1 3.27Å; T115-P143 WeakPolarHBondContact O-CG 3.19Å
116	T	91.7	Very high	95.3	Very high	87 Å²	87	35 Å²	35	53%	0.534	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	8.7	-179.4	58.4	0	0	0	0	113	N32 V114	N32-T116 VanDerWaalsContact CB-O 3.3Å; N32-T116 WeakPolarHBondContact CB-O 3.25Å; N32-T116 PolarHBondContact ND2-O 2.66Å; V114-T116 PolarHBondContact O-N 2.76Å; V114-T116 VanDerWaalsContact O-N 3.08Å
117	S	95.5	Very high	95.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.215	C	C	.	.			trans	-77.8	138.6	-176.3	-58.3	0	0	0	0	112.3	T34 A113 V114 T146	T34-S117 VanDerWaalsContact CB-OG 3.25Å; T34-S117 WeakPolarHBondContact CB-OG 3.42Å; T34-S117 PolarHBondContact OG1-OG 2.91Å; A113-S117 PolarHBondContact O-OG 2.9Å; V114-S117 WeakPolarHBondContact CA-OG 3.34Å; V114-S117 PolarHBondContact O-N 3.15Å; S117-T146 WeakPolarHBondContact O-CB 3.36Å; S117-T146 VanDerWaalsContact O-CG2 3.3Å; S117-T146 WeakPolarHBondContact O-CG2 3.28Å; S117-T146 PolarHBondContact O-OG1 3.05Å
118	D	96.6	Very high	94.9	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.107	21%	0.213	C	C	.	.	S	Bend	trans	-92.3	-31.3	167.5	-52.4	-50.4	0	0	0	110.8	V28 I30 K31 N32 H145 T146 I147	V28-D118 HydrophobicContact CG1-CB 4.18Å; I30-D118 HydrophobicContact CB-CB 4.37Å; I30-D118 HydrophobicContact CG1-CB 4.41Å; I30-D118 HydrophobicContact CG2-CB 4.26Å; K31-D118 PolarHBondContact N-OD2 3.23Å; N32-D118 PolarHBondContact N-OD2 3.42Å; N32-D118 PolarHBondContact O-N 2.76Å; D118-H145 IonicContact OD1-CD2 3.56Å; D118-H145 IonicContact OD1-CE1 3.94Å; D118-H145 IonicContact OD1-NE2 2.82Å; D118-H145 PolarHBondContact OD1-NE2 3.02Å; D118-T146 WeakPolarHBondContact O-CA 3.44Å; D118-I147 PolarHBondContact O-N 3.03Å
119	L	97.6	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.7	177.5	177.4	65.4	0	0	0	110.4	I30 N32 V33 T34 V121 I147 A149 L173 L201 F204	I30-L119 HydrophobicContact CD1-CB 4.1Å; I30-L119 HydrophobicContact CD1-CD2 4.13Å; I30-L119 HydrophobicContact CG1-CB 4.42Å; I30-L119 HydrophobicContact CG2-CB 3.7Å; I30-L119 HydrophobicContact CG2-CD2 4.3Å; N32-L119 PolarHBondContact O-N 2.99Å; V33-L119 CarbonylContact C-O 3.52Å; V33-L119 WeakPolarHBondContact CA-O 3.49Å; V33-L119 HydrophobicContact CG1-CB 4.42Å; V33-L119 HydrophobicContact CG1-CD2 4.17Å; V33-L119 HydrophobicContact CG1-CG 4.34Å; V33-L119 HydrophobicContact CG2-CB 4.4Å; V33-L119 HydrophobicContact CG2-CD2 4.48Å; T34-L119 PolarHBondContact N-O 2.94Å; L119-V121 HydrophobicContact CD1-CG2 4.44Å; L119-V121 HydrophobicContact CD2-CG2 3.83Å; L119-V121 HydrophobicContact CG-CG2 3.89Å; L119-I147 CarbonylContact C-O 3.6Å; L119-I147 WeakPolarHBondContact CA-O 3.44Å; L119-I147 HydrophobicContact CD1-CB 3.98Å; L119-I147 HydrophobicContact CD1-CG2 3.79Å; L119-A149 HydrophobicContact CD1-CB 4.09Å; L119-L173 HydrophobicContact CD1-CD1 4.49Å; L119-L173 HydrophobicContact CD2-CD1 4.02Å; L119-L201 HydrophobicContact CD1-CD2 3.84Å; L119-F204 HydrophobicContact CD2-CD1 3.76Å; L119-F204 HydrophobicContact CD2-CD2 4.42Å; L119-F204 HydrophobicContact CD2-CE1 3.45Å; L119-F204 VanDerWaalsContact CD2-CE1 3.45Å; L119-F204 HydrophobicContact CD2-CE2 4.17Å; L119-F204 HydrophobicContact CD2-CG 4.22Å; L119-F204 HydrophobicContact CD2-CZ 3.67Å
120	V	98.3	Very high	94.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.9	165.9	178.4	0	0	0	0	108.6	T34 I36 V114 L138 T146 I147 F148 A149	T34-V120 CarbonylContact O-C 3.56Å; T34-V120 VanDerWaalsContact O-CA 3.26Å; T34-V120 WeakPolarHBondContact O-CA 3.26Å; I36-V120 HydrophobicContact CG1-CG1 3.97Å; V114-V120 HydrophobicContact CG1-CG2 3.79Å; V120-L138 HydrophobicContact CG1-CD1 3.94Å; V120-T146 HydrophobicContact CG2-CG2 3.88Å; V120-I147 PolarHBondContact N-O 2.94Å; V120-F148 HydrophobicContact CB-CD1 3.79Å; V120-F148 HydrophobicContact CB-CE1 4.18Å; V120-F148 HydrophobicContact CG2-CD1 3.87Å; V120-F148 HydrophobicContact CG2-CE1 3.76Å; V120-A149 PolarHBondContact O-N 3.23Å
121	V	98.3	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.2	172.1	-172.3	0	0	0	0	109.5	V33 T34 I35 I36 I45 L119 A149 L173	V33-V121 HydrophobicContact CG1-CG2 4.18Å; T34-V121 PolarHBondContact O-N 3.43Å; I35-V121 CarbonylContact C-O 3.59Å; I35-V121 VanDerWaalsContact CA-O 3.31Å; I35-V121 WeakPolarHBondContact CA-O 3.36Å; I35-V121 HydrophobicContact CG1-CB 4.37Å; I36-V121 PolarHBondContact N-O 3.22Å; I45-V121 HydrophobicContact CD1-CG1 4.13Å; I45-V121 HydrophobicContact CG2-CG1 4.4Å; L119-V121 HydrophobicContact CD1-CG2 4.44Å; L119-V121 HydrophobicContact CD2-CG2 3.83Å; L119-V121 HydrophobicContact CG-CG2 3.89Å; V121-A149 CarbonylContact C-O 3.56Å; V121-A149 WeakPolarHBondContact CA-O 3.4Å; V121-L173 HydrophobicContact CG2-CD1 4.17Å
122	E	98.1	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.7	179.1	-178.4	-79.4	127	0	0	110.9	I124 K131 L134 F135 A149 S150 N151	E122-I124 HydrophobicContact CG-CD1 4.13Å; E122-I124 HydrophobicContact CG-CG2 4.32Å; E122-I124 WeakPolarHBondContact OE1-CA 3.37Å; E122-I124 WeakPolarHBondContact OE1-CB 3.25Å; E122-I124 WeakPolarHBondContact OE1-CG1 3.45Å; E122-I124 PolarHBondContact OE1-N 2.93Å; E122-K131 IonicContact OE1-NZ 3.94Å; E122-K131 PolarHBondContact OE1-NZ 2.98Å; E122-K131 WeakPolarHBondContact OE2-CD 3.32Å; E122-K131 IonicContact OE2-NZ 3.15Å; E122-K131 PolarHBondContact OE2-NZ 2.75Å; E122-L134 HydrophobicContact CG-CD2 3.74Å; E122-F135 HydrophobicContact CB-CE2 3.68Å; E122-F135 HydrophobicContact CB-CZ 4.23Å; E122-F135 HydrophobicContact CG-CE2 3.83Å; E122-A149 PolarHBondContact N-O 2.73Å; E122-S150 PolarHBondContact OE2-OG 2.94Å; E122-N151 WeakPolarHBondContact O-CB 3.48Å; E122-N151 PolarHBondContact O-N 2.92Å
123	A	96.9	Very high	95.5	Very high	15 Å²	15	39.7 Å²	39.7	12%	0.124	21%	0.214	C	C	.	.			trans	-143.8	47.2	179.6	0	0	0	0	0	112.1	I36 M41 I45 N151	I36-A123 CarbonylContact O-C 3.56Å; I36-A123 WeakPolarHBondContact O-CA 3.49Å; I36-A123 PolarHBondContact O-N 2.79Å; M41-A123 HydrophobicContact CB-CB 4.43Å; I45-A123 HydrophobicContact CD1-CB 4.42Å; A123-N151 HydrophobicContact CB-CB 4.26Å
124	I	95.3	Very high	95.7	Very high	41 Å²	41	40.6 Å²	40.6	21%	0.21	22%	0.217	C	C	.	.			trans	-92.5	-176.4	176.6	87.4	-152.6	0	0	0	111.5	I36 E122 I130 K131 L134	I36-I124 HydrophobicContact CB-CG2 4.37Å; I36-I124 HydrophobicContact CG2-CG2 3.84Å; I36-I124 WeakPolarHBondContact O-CG2 3.44Å; E122-I124 HydrophobicContact CG-CD1 4.13Å; E122-I124 HydrophobicContact CG-CG2 4.32Å; E122-I124 WeakPolarHBondContact OE1-CA 3.37Å; E122-I124 WeakPolarHBondContact OE1-CB 3.25Å; E122-I124 WeakPolarHBondContact OE1-CG1 3.45Å; E122-I124 PolarHBondContact OE1-N 2.93Å; I124-I130 HydrophobicContact CD1-CG2 3.86Å; I124-I130 HydrophobicContact CG1-CG2 4.42Å; I124-K131 HydrophobicContact CD1-CG 3.81Å; I124-K131 HydrophobicContact CG1-CG 4.05Å; I124-K131 PolarHBondContact O-NZ 3.29Å; I124-L134 HydrophobicContact CD1-CB 4.44Å; I124-L134 HydrophobicContact CD1-CD2 3.6Å; I124-L134 HydrophobicContact CG2-CD2 4.29Å
125	V	92.1	Very high	95.8	Very high	91 Å²	91	40.8 Å²	40.8	55%	0.552	22%	0.218	S	C	*	.			trans	-48.1	141.1	175	64.9	0	0	0	0	113.1	N127 I130 K131	V125-N127 HydrophobicContact CG1-CB 4.45Å; V125-N127 PolarHBondContact O-N 2.84Å; V125-I130 HydrophobicContact CG1-CB 4.47Å; V125-I130 HydrophobicContact CG1-CD1 3.71Å; V125-I130 HydrophobicContact CG1-CG2 4.14Å; V125-K131 WeakPolarHBondContact O-CE 3.41Å
126	E	91.5	Very high	96	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.234	20%	0.203	C	C	.	.	S	Bend	trans	-78.3	64.5	-174.8	-151.6	74.8	157.7	0	0	112.2	K131 T152 S153 L155 F277	E126-K131 WeakPolarHBondContact OE2-CE 3.4Å; E126-K131 IonicContact OE2-NZ 2.7Å; E126-K131 PolarHBondContact OE2-NZ 2.84Å; E126-T152 VanDerWaalsContact CD-OG1 3.25Å; E126-T152 WeakPolarHBondContact OE1-CA 3.29Å; E126-T152 WeakPolarHBondContact OE1-CB 3.45Å; E126-T152 PolarHBondContact OE1-OG1 3.38Å; E126-S153 PolarHBondContact OE1-N 3.46Å; E126-L155 HydrophobicContact CG-CD1 4.2Å; E126-L155 HydrophobicContact CG-CG 4.29Å; E126-F277 HydrophobicContact CB-CE1 4.26Å; E126-F277 HydrophobicContact CG-CE1 4.08Å
127	N	92.4	Very high	96.2	Very high	70 Å²	70	37.7 Å²	37.7	37%	0.374	20%	0.195	S	C	.	.			trans	-130.6	122.5	178.7	-177.3	-73.8	0	0	0	110.7	V125 K129 I130 K131	V125-N127 HydrophobicContact CG1-CB 4.45Å; V125-N127 PolarHBondContact O-N 2.84Å; N127-K129 PolarHBondContact O-N 2.87Å; N127-K129 WeakPolarHBondContact OD1-CB 3.36Å; N127-K129 PolarHBondContact OD1-N 2.96Å; N127-I130 HydrophobicContact CB-CB 4.22Å; N127-I130 HydrophobicContact CB-CD1 3.95Å; N127-I130 HydrophobicContact CB-CG1 4.14Å; N127-I130 PolarHBondContact O-N 3.45Å; N127-I130 PolarHBondContact OD1-N 3.23Å; N127-I130 VanDerWaalsContact OD1-N 3.12Å; N127-K131 WeakPolarHBondContact O-CG 3.34Å; N127-K131 PolarHBondContact O-N 2.99Å; N127-K131 VanDerWaalsContact O-N 3.08Å
128	M	93.8	Very high	96.3	Very high	39 Å²	39	37.7 Å²	37.7	19%	0.192	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-45.6	-175.9	-178.6	57.4	76.3	0	0	112.7	I130 K131 Q132 L155 D159 M160	M128-I130 PolarHBondContact O-N 3.33Å; M128-K131 PolarHBondContact O-N 2.82Å; M128-Q132 HydrophobicContact CG-CG 4.25Å; M128-Q132 WeakPolarHBondContact O-CB 3.47Å; M128-Q132 WeakPolarHBondContact O-CG 3.39Å; M128-Q132 PolarHBondContact O-N 2.84Å; M128-Q132 HydrophobicContact SD-CG 3.89Å; M128-L155 HydrophobicContact CB-CD1 4.44Å; M128-L155 HydrophobicContact CE-CB 3.78Å; M128-L155 HydrophobicContact CE-CD2 4.27Å; M128-L155 HydrophobicContact CE-CG 4.41Å; M128-D159 HydrophobicContact CE-CB 3.45Å; M128-D159 VanDerWaalsContact CE-CB 3.45Å; M128-D159 HydrophobicContact SD-CB 3.78Å; M128-M160 HydrophobicContact CE-CG 4.36Å; M128-M160 HydrophobicContact SD-CG 3.68Å
129	K	95.8	Very high	96.3	Very high	120 Å²	120	37.7 Å²	37.7	52%	0.522	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-44.8	-176	-178.5	54.4	176.9	155.9	0	111.4	N127 K131 Q132 D133	N127-K129 PolarHBondContact O-N 2.87Å; N127-K129 WeakPolarHBondContact OD1-CB 3.36Å; N127-K129 PolarHBondContact OD1-N 2.96Å; K129-K131 VanDerWaalsContact C-N 3.34Å; K129-K131 PolarHBondContact O-N 2.7Å; K129-Q132 PolarHBondContact O-N 3.42Å; K129-D133 WeakPolarHBondContact CE-OD1 3.37Å; K129-D133 VanDerWaalsContact CE-OD2 3.26Å; K129-D133 WeakPolarHBondContact CE-OD2 3.19Å; K129-D133 IonicContact NZ-OD1 2.68Å; K129-D133 PolarHBondContact NZ-OD1 2.86Å; K129-D133 IonicContact NZ-OD2 3.49Å; K129-D133 PolarHBondContact NZ-OD2 3.48Å; K129-D133 WeakPolarHBondContact O-CB 3.28Å; K129-D133 VanDerWaalsContact O-CG 3.24Å; K129-D133 PolarHBondContact O-N 2.87Å
130	I	96.7	Very high	96.3	Very high	82 Å²	82	45.7 Å²	45.7	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-43.3	177.6	-63	176.5	0	0	0	110.8	I124 V125 N127 M128 L134	I124-I130 HydrophobicContact CD1-CG2 3.86Å; I124-I130 HydrophobicContact CG1-CG2 4.42Å; V125-I130 HydrophobicContact CG1-CB 4.47Å; V125-I130 HydrophobicContact CG1-CD1 3.71Å; V125-I130 HydrophobicContact CG1-CG2 4.14Å; N127-I130 HydrophobicContact CB-CB 4.22Å; N127-I130 HydrophobicContact CB-CD1 3.95Å; N127-I130 HydrophobicContact CB-CG1 4.14Å; N127-I130 PolarHBondContact O-N 3.45Å; N127-I130 PolarHBondContact OD1-N 3.23Å; N127-I130 VanDerWaalsContact OD1-N 3.12Å; M128-I130 PolarHBondContact O-N 3.33Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 PolarHBondContact O-N 3.42Å
131	K	97.4	Very high	96.2	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.2	-68.6	179.1	-169.4	-80.1	0	112.2	E122 I124 V125 E126 N127 M128 K129 L134 F135 L155 M160	E122-K131 IonicContact OE1-NZ 3.94Å; E122-K131 PolarHBondContact OE1-NZ 2.98Å; E122-K131 WeakPolarHBondContact OE2-CD 3.32Å; E122-K131 IonicContact OE2-NZ 3.15Å; E122-K131 PolarHBondContact OE2-NZ 2.75Å; I124-K131 HydrophobicContact CD1-CG 3.81Å; I124-K131 HydrophobicContact CG1-CG 4.05Å; I124-K131 PolarHBondContact O-NZ 3.29Å; V125-K131 WeakPolarHBondContact O-CE 3.41Å; E126-K131 WeakPolarHBondContact OE2-CE 3.4Å; E126-K131 IonicContact OE2-NZ 2.7Å; E126-K131 PolarHBondContact OE2-NZ 2.84Å; N127-K131 WeakPolarHBondContact O-CG 3.34Å; N127-K131 PolarHBondContact O-N 2.99Å; N127-K131 VanDerWaalsContact O-N 3.08Å; M128-K131 PolarHBondContact O-N 2.82Å; K129-K131 VanDerWaalsContact C-N 3.34Å; K129-K131 PolarHBondContact O-N 2.7Å; K131-L134 PolarHBondContact O-N 3.5Å; K131-F135 WeakPolarHBondContact O-CB 3.42Å; K131-F135 VanDerWaalsContact O-CD2 3.24Å; K131-F135 WeakPolarHBondContact O-CD2 3.43Å; K131-F135 PolarHBondContact O-N 2.98Å; K131-L155 HydrophobicContact CD-CD1 3.82Å; K131-M160 HydrophobicContact CB-CG 4.18Å; K131-M160 HydrophobicContact CB-SD 3.76Å; K131-M160 HydrophobicContact CD-SD 3.52Å; K131-M160 VanDerWaalsContact CD-SD 3.52Å; K131-M160 HydrophobicContact CG-SD 4.24Å
132	Q	97.9	Very high	96.1	Very high	48 Å²	48	50.4 Å²	50.4	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-46.1	174.9	-77.7	177.8	-29.6	0	0	112.1	M128 K129 L134 F135 G136 D159 A163	M128-Q132 HydrophobicContact CG-CG 4.25Å; M128-Q132 WeakPolarHBondContact O-CB 3.47Å; M128-Q132 WeakPolarHBondContact O-CG 3.39Å; M128-Q132 PolarHBondContact O-N 2.84Å; M128-Q132 HydrophobicContact SD-CG 3.89Å; K129-Q132 PolarHBondContact O-N 3.42Å; Q132-L134 VanDerWaalsContact C-N 3.3Å; Q132-L134 PolarHBondContact O-N 3.42Å; Q132-F135 PolarHBondContact O-N 3.16Å; Q132-G136 PolarHBondContact O-N 3.21Å; Q132-D159 PolarHBondContact NE2-O 3.42Å; Q132-A163 HydrophobicContact CB-CB 3.86Å; Q132-A163 HydrophobicContact CG-CB 4.08Å; Q132-A163 WeakPolarHBondContact O-CB 3.48Å
133	D	97.4	Very high	96	Very high	85 Å²	85	52 Å²	52	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-40	178.4	-70.1	-19.5	0	0	0	111	K129 F137	K129-D133 WeakPolarHBondContact CE-OD1 3.37Å; K129-D133 VanDerWaalsContact CE-OD2 3.26Å; K129-D133 WeakPolarHBondContact CE-OD2 3.19Å; K129-D133 IonicContact NZ-OD1 2.68Å; K129-D133 PolarHBondContact NZ-OD1 2.86Å; K129-D133 IonicContact NZ-OD2 3.49Å; K129-D133 PolarHBondContact NZ-OD2 3.48Å; K129-D133 WeakPolarHBondContact O-CB 3.28Å; K129-D133 VanDerWaalsContact O-CG 3.24Å; K129-D133 PolarHBondContact O-N 2.87Å; D133-F137 VanDerWaalsContact O-CB 3.24Å; D133-F137 WeakPolarHBondContact O-CB 3.48Å; D133-F137 PolarHBondContact O-N 3.49Å
134	L	97.3	Very high	95.9	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-52.3	172.9	177.3	67.9	0	0	0	111.6	I36 E122 I124 I130 K131 Q132 G136 F137 L138	I36-L134 HydrophobicContact CB-CD2 4.2Å; I36-L134 HydrophobicContact CG2-CD1 4.25Å; I36-L134 HydrophobicContact CG2-CD2 3.72Å; E122-L134 HydrophobicContact CG-CD2 3.74Å; I124-L134 HydrophobicContact CD1-CB 4.44Å; I124-L134 HydrophobicContact CD1-CD2 3.6Å; I124-L134 HydrophobicContact CG2-CD2 4.29Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 PolarHBondContact O-N 3.42Å; K131-L134 PolarHBondContact O-N 3.5Å; Q132-L134 VanDerWaalsContact C-N 3.3Å; Q132-L134 PolarHBondContact O-N 3.42Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.02Å; L134-F137 WeakPolarHBondContact O-CB 3.45Å; L134-F137 PolarHBondContact O-N 2.94Å; L134-F137 VanDerWaalsContact O-N 3.13Å; L134-L138 HydrophobicContact CD1-CD1 3.93Å; L134-L138 HydrophobicContact CD1-CD2 4.26Å; L134-L138 HydrophobicContact CD1-CG 3.91Å; L134-L138 HydrophobicContact CD2-CD1 4.49Å; L134-L138 HydrophobicContact CG-CD1 3.93Å; L134-L138 HydrophobicContact CG-CG 4.21Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.36Å; L134-L138 PolarHBondContact O-N 2.83Å
135	F	97.9	Very high	95.9	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-45.8	-178.5	-92.1	-122.2	0	0	0	111.4	E122 K131 Q132 F137 L138 D139 F148 M160 T164	E122-F135 HydrophobicContact CB-CE2 3.68Å; E122-F135 HydrophobicContact CB-CZ 4.23Å; E122-F135 HydrophobicContact CG-CE2 3.83Å; K131-F135 WeakPolarHBondContact O-CB 3.42Å; K131-F135 VanDerWaalsContact O-CD2 3.24Å; K131-F135 WeakPolarHBondContact O-CD2 3.43Å; K131-F135 PolarHBondContact O-N 2.98Å; Q132-F135 PolarHBondContact O-N 3.16Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 2.94Å; F135-L138 PolarHBondContact O-N 2.95Å; F135-D139 VanDerWaalsContact O-CB 3.3Å; F135-D139 WeakPolarHBondContact O-CB 3.42Å; F135-D139 PolarHBondContact O-N 2.89Å; F135-F148 HydrophobicContact CD1-CB 4.19Å; F135-F148 AromaticContact CD1-CD2 3.82Å; F135-F148 HydrophobicContact CD1-CD2 3.82Å; F135-F148 HydrophobicContact CD1-CG 4.49Å; F135-F148 HydrophobicContact CE1-CB 3.69Å; F135-F148 HydrophobicContact CE1-CD2 4.18Å; F135-F148 HydrophobicContact CE1-CG 4.4Å; F135-F148 HydrophobicContact CG-CD2 4.39Å; F135-F148 HydrophobicContact CZ-CB 4.35Å; F135-M160 HydrophobicContact CD1-CB 4.42Å; F135-M160 HydrophobicContact CE1-CB 4.47Å; F135-T164 HydrophobicContact CB-CG2 3.81Å; F135-T164 HydrophobicContact CD1-CG2 3.98Å; F135-T164 HydrophobicContact CG-CG2 4.41Å
136	G	97.6	Very high	96.1	Very high	15 Å²	15	56.5 Å²	56.5	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-29.5	177	0	0	0	0	0	113.7	Q132 L134 A163	Q132-G136 PolarHBondContact O-N 3.21Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.02Å; G136-A163 WeakPolarHBondContact CA-O 3.35Å
137	F	97.1	Very high	96.4	Very high	84 Å²	84	54.2 Å²	54.2	37%	0.368	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-47.7	171.4	171.3	-98.8	0	0	0	111.8	P110 A111 D133 L134 F135 D139 K140	P110-F137 HydrophobicContact CB-CE1 4.21Å; P110-F137 HydrophobicContact CG-CE1 3.89Å; A111-F137 HydrophobicContact CB-CE1 4.19Å; A111-F137 HydrophobicContact CB-CZ 3.88Å; D133-F137 VanDerWaalsContact O-CB 3.24Å; D133-F137 WeakPolarHBondContact O-CB 3.48Å; D133-F137 PolarHBondContact O-N 3.49Å; L134-F137 WeakPolarHBondContact O-CB 3.45Å; L134-F137 PolarHBondContact O-N 2.94Å; L134-F137 VanDerWaalsContact O-N 3.13Å; F135-F137 VanDerWaalsContact C-N 3.32Å; F135-F137 PolarHBondContact O-N 2.94Å; F137-D139 VanDerWaalsContact C-N 3.34Å; F137-D139 PolarHBondContact O-N 2.82Å; F137-K140 PolarHBondContact O-N 3.23Å
138	L	96.9	Very high	96.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-36.1	-179.5	-65.8	-176.2	0	0	0	112.2	I36 P110 V114 V120 L134 F135 K140 M141 A142 F148	I36-L138 HydrophobicContact CD1-CD1 4.48Å; I36-L138 HydrophobicContact CG1-CD1 4.13Å; P110-L138 HydrophobicContact CB-CD2 4Å; V114-L138 HydrophobicContact CB-CD2 4.48Å; V114-L138 HydrophobicContact CG1-CD1 4.3Å; V114-L138 HydrophobicContact CG1-CD2 3.69Å; V114-L138 HydrophobicContact CG1-CG 4.42Å; V114-L138 HydrophobicContact CG2-CD2 4.04Å; V120-L138 HydrophobicContact CG1-CD1 3.94Å; L134-L138 HydrophobicContact CD1-CD1 3.93Å; L134-L138 HydrophobicContact CD1-CD2 4.26Å; L134-L138 HydrophobicContact CD1-CG 3.91Å; L134-L138 HydrophobicContact CD2-CD1 4.49Å; L134-L138 HydrophobicContact CG-CD1 3.93Å; L134-L138 HydrophobicContact CG-CG 4.21Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.36Å; L134-L138 PolarHBondContact O-N 2.83Å; F135-L138 PolarHBondContact O-N 2.95Å; L138-K140 PolarHBondContact O-N 2.96Å; L138-M141 PolarHBondContact O-N 3.24Å; L138-A142 WeakPolarHBondContact O-CB 3.33Å; L138-A142 PolarHBondContact O-N 3.19Å; L138-F148 HydrophobicContact CB-CE2 3.92Å; L138-F148 HydrophobicContact CB-CZ 3.7Å
139	D	97.1	Very high	96.9	Very high	19 Å²	19	49 Å²	49	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-33.1	-180	-177.6	46.2	0	0	0	113	F135 F137 M141 F148 T164 S165 R166	F135-D139 VanDerWaalsContact O-CB 3.3Å; F135-D139 WeakPolarHBondContact O-CB 3.42Å; F135-D139 PolarHBondContact O-N 2.89Å; F137-D139 VanDerWaalsContact C-N 3.34Å; F137-D139 PolarHBondContact O-N 2.82Å; D139-M141 VanDerWaalsContact C-N 3.28Å; D139-M141 PolarHBondContact O-N 2.82Å; D139-F148 HydrophobicContact CB-CE2 4.11Å; D139-T164 HydrophobicContact CB-CG2 4.22Å; D139-S165 PolarHBondContact OD1-OG 2.9Å; D139-S165 WeakPolarHBondContact OD2-CB 3.31Å; D139-S165 PolarHBondContact OD2-N 3.4Å; D139-S165 PolarHBondContact OD2-OG 3.34Å; D139-R166 PolarHBondContact O-NH2 3.27Å; D139-R166 IonicContact OD1-CZ 2.75Å; D139-R166 VanDerWaalsContact OD1-CZ 3.26Å; D139-R166 IonicContact OD1-NE 3.26Å; D139-R166 PolarHBondContact OD1-NE 3.19Å; D139-R166 IonicContact OD1-NH2 2.9Å; D139-R166 PolarHBondContact OD1-NH2 2.9Å; D139-R166 VanDerWaalsContact OD1-NH2 3.15Å
140	K	96.3	Very high	97	Very high	168 Å²	168	43.4 Å²	43.4	73%	0.73	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.7	178.5	-63.9	173.1	-174.2	175.5	0	113.6	F137 L138	F137-K140 PolarHBondContact O-N 3.23Å; L138-K140 PolarHBondContact O-N 2.96Å
141	M	96	Very high	97	Very high	91 Å²	91	40 Å²	40	45%	0.448	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-28.5	-170.3	-58.6	-63.6	171.9	0	0	112.5	A111 V114 L138 D139	A111-M141 HydrophobicContact CB-CG 4.12Å; V114-M141 HydrophobicContact CG2-CB 3.78Å; L138-M141 PolarHBondContact O-N 3.24Å; D139-M141 VanDerWaalsContact C-N 3.28Å; D139-M141 PolarHBondContact O-N 2.82Å
142	A	96.6	Very high	96.9	Very high	9 Å²	9	40 Å²	40	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-74.1	139.2	-178.4	0	0	0	0	0	111.1	V114 L138 T146 F148 R166	V114-A142 HydrophobicContact CB-CB 4.2Å; V114-A142 HydrophobicContact CG2-CB 4.27Å; L138-A142 WeakPolarHBondContact O-CB 3.33Å; L138-A142 PolarHBondContact O-N 3.19Å; A142-T146 HydrophobicContact CB-CG2 4.25Å; A142-F148 HydrophobicContact CB-CE1 3.67Å; A142-F148 HydrophobicContact CB-CZ 3.65Å; A142-R166 PolarHBondContact O-NH2 3.49Å
143	P	95.8	Very high	96.3	Very high	33 Å²	33	39.3 Å²	39.3	21%	0.214	20%	0.198	C	C	.	.			trans	-48.5	154.1	171.4	-28.6	34	0	0	0	113.4	V114 T115 H145 T146 R166	V114-P143 WeakPolarHBondContact O-CD 3.38Å; T115-P143 WeakPolarHBondContact O-CG 3.19Å; P143-H145 VanDerWaalsContact CB-CE1 3.45Å; P143-H145 WeakPolarHBondContact CB-CE1 3.32Å; P143-H145 WeakPolarHBondContact CB-ND1 3.19Å; P143-H145 PolarHBondContact O-N 3.49Å; P143-H145 VanDerWaalsContact O-N 3.16Å; P143-T146 VanDerWaalsContact CD-OG1 3.29Å; P143-T146 WeakPolarHBondContact CD-OG1 3.3Å; P143-T146 WeakPolarHBondContact O-CB 3.39Å; P143-T146 PolarHBondContact O-N 2.8Å; P143-T146 VanDerWaalsContact O-N 3.12Å; P143-T146 PolarHBondContact O-OG1 3.25Å; P143-T146 VanDerWaalsContact O-OG1 3.14Å; P143-R166 PolarHBondContact O-NH1 2.99Å
144	E	94.4	Very high	95.4	Very high	165 Å²	165	36 Å²	36	77%	0.771	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.5	-179.1	-70.2	-170.7	167	0	0	112.4	T146 R169	E144-T146 VanDerWaalsContact C-N 3.33Å; E144-T146 PolarHBondContact O-N 3.1Å; E144-R169 PolarHBondContact O-NE 2.66Å; E144-R169 PolarHBondContact O-NH2 2.84Å
145	H	95.1	Very high	95.1	Very high	78 Å²	78	36 Å²	36	36%	0.361	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.8	-177.3	72.5	-86.1	0	0	0	114.6	V28 D118 P143 I147	V28-H145 HydrophobicContact CG2-CB 4.4Å; D118-H145 IonicContact OD1-CD2 3.56Å; D118-H145 IonicContact OD1-CE1 3.94Å; D118-H145 IonicContact OD1-NE2 2.82Å; D118-H145 PolarHBondContact OD1-NE2 3.02Å; P143-H145 VanDerWaalsContact CB-CE1 3.45Å; P143-H145 WeakPolarHBondContact CB-CE1 3.32Å; P143-H145 WeakPolarHBondContact CB-ND1 3.19Å; P143-H145 PolarHBondContact O-N 3.49Å; P143-H145 VanDerWaalsContact O-N 3.16Å; H145-I147 PolarHBondContact O-N 3.19Å
146	T	97.4	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.			trans	-67.9	129.4	-173.1	-49.2	0	0	0	0	111.5	S117 D118 V120 A142 P143 E144 F148 R166	S117-T146 WeakPolarHBondContact O-CB 3.36Å; S117-T146 VanDerWaalsContact O-CG2 3.3Å; S117-T146 WeakPolarHBondContact O-CG2 3.28Å; S117-T146 PolarHBondContact O-OG1 3.05Å; D118-T146 WeakPolarHBondContact O-CA 3.44Å; V120-T146 HydrophobicContact CG2-CG2 3.88Å; A142-T146 HydrophobicContact CB-CG2 4.25Å; P143-T146 VanDerWaalsContact CD-OG1 3.29Å; P143-T146 WeakPolarHBondContact CD-OG1 3.3Å; P143-T146 WeakPolarHBondContact O-CB 3.39Å; P143-T146 PolarHBondContact O-N 2.8Å; P143-T146 VanDerWaalsContact O-N 3.12Å; P143-T146 PolarHBondContact O-OG1 3.25Å; P143-T146 VanDerWaalsContact O-OG1 3.14Å; E144-T146 VanDerWaalsContact C-N 3.33Å; E144-T146 PolarHBondContact O-N 3.1Å; T146-F148 HydrophobicContact CG2-CD1 4.05Å; T146-F148 HydrophobicContact CG2-CE1 3.79Å; T146-R166 PolarHBondContact O-NH1 3.13Å
147	I	98.2	Very high	94.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.5	173.8	-64	169.6	0	0	0	109.5	D118 L119 V120 H145 R169 T197 L201	D118-I147 PolarHBondContact O-N 3.03Å; L119-I147 CarbonylContact C-O 3.6Å; L119-I147 WeakPolarHBondContact CA-O 3.44Å; L119-I147 HydrophobicContact CD1-CB 3.98Å; L119-I147 HydrophobicContact CD1-CG2 3.79Å; V120-I147 PolarHBondContact N-O 2.94Å; H145-I147 PolarHBondContact O-N 3.19Å; I147-R169 WeakPolarHBondContact CA-O 3.47Å; I147-T197 HydrophobicContact CD1-CG2 4.24Å; I147-T197 HydrophobicContact CG1-CG2 4.21Å; I147-T197 HydrophobicContact CG2-CG2 3.78Å; I147-L201 HydrophobicContact CG2-CD1 4.47Å; I147-L201 HydrophobicContact CG2-CD2 3.83Å; I147-L201 HydrophobicContact CG2-CG 4.25Å
148	F	98.4	Very high	94.7	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.7	172.8	-69.7	0.5	0	0	0	110.1	V120 F135 L138 D139 A142 T146 T164 R169 C170 G171	V120-F148 HydrophobicContact CB-CD1 3.79Å; V120-F148 HydrophobicContact CB-CE1 4.18Å; V120-F148 HydrophobicContact CG2-CD1 3.87Å; V120-F148 HydrophobicContact CG2-CE1 3.76Å; F135-F148 HydrophobicContact CD1-CB 4.19Å; F135-F148 AromaticContact CD1-CD2 3.82Å; F135-F148 HydrophobicContact CD1-CD2 3.82Å; F135-F148 HydrophobicContact CD1-CG 4.49Å; F135-F148 HydrophobicContact CE1-CB 3.69Å; F135-F148 HydrophobicContact CE1-CD2 4.18Å; F135-F148 HydrophobicContact CE1-CG 4.4Å; F135-F148 HydrophobicContact CG-CD2 4.39Å; F135-F148 HydrophobicContact CZ-CB 4.35Å; L138-F148 HydrophobicContact CB-CE2 3.92Å; L138-F148 HydrophobicContact CB-CZ 3.7Å; D139-F148 HydrophobicContact CB-CE2 4.11Å; A142-F148 HydrophobicContact CB-CE1 3.67Å; A142-F148 HydrophobicContact CB-CZ 3.65Å; T146-F148 HydrophobicContact CG2-CD1 4.05Å; T146-F148 HydrophobicContact CG2-CE1 3.79Å; F148-T164 HydrophobicContact CD2-CG2 4.19Å; F148-T164 HydrophobicContact CE2-CG2 4.37Å; F148-R169 PolarHBondContact N-O 2.85Å; F148-C170 CarbonylContact O-C 3.21Å; F148-C170 VanDerWaalsContact O-CA 3.28Å; F148-C170 WeakPolarHBondContact O-CA 3.44Å; F148-G171 PolarHBondContact O-N 2.86Å
149	A	98.1	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.5	175.6	0	0	0	0	0	110.4	L119 V120 V121 E122 G171 L173 L201	L119-A149 HydrophobicContact CD1-CB 4.09Å; V120-A149 PolarHBondContact O-N 3.23Å; V121-A149 CarbonylContact C-O 3.56Å; V121-A149 WeakPolarHBondContact CA-O 3.4Å; E122-A149 PolarHBondContact N-O 2.73Å; A149-G171 VanDerWaalsContact CA-O 3.26Å; A149-G171 WeakPolarHBondContact CA-O 3.4Å; A149-L173 HydrophobicContact CB-CB 4.03Å; A149-L173 HydrophobicContact CB-CD1 3.81Å; A149-L173 HydrophobicContact CB-CG 3.82Å; A149-L201 HydrophobicContact CB-CD2 4.41Å
150	S	98.1	Very high	94.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.7	167.9	-177.5	0	0	0	0	110.9	E122 T152 G171 G172 L173	E122-S150 PolarHBondContact OE2-OG 2.94Å; S150-T152 VanDerWaalsContact C-N 3.32Å; S150-T152 WeakPolarHBondContact OG-CB 3.09Å; S150-T152 WeakPolarHBondContact OG-CG2 3.21Å; S150-T152 PolarHBondContact OG-N 3.34Å; S150-T152 VanDerWaalsContact OG-N 3.09Å; S150-G171 PolarHBondContact N-O 3.48Å; S150-G171 VanDerWaalsContact N-O 3.1Å; S150-G172 WeakPolarHBondContact O-CA 3.27Å; S150-L173 PolarHBondContact O-N 3.43Å
151	N	97.1	Very high	94.5	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.059	16%	0.156	C	C	.	.			trans	-92	13.2	169.5	-178.1	72.8	0	0	0	112.2	M41 I45 E122 A123 L173 F175	M41-N151 WeakPolarHBondContact CE-ND2 3.34Å; I45-N151 HydrophobicContact CD1-CB 4.15Å; E122-N151 WeakPolarHBondContact O-CB 3.48Å; E122-N151 PolarHBondContact O-N 2.92Å; A123-N151 HydrophobicContact CB-CB 4.26Å; N151-L173 WeakPolarHBondContact CA-O 3.29Å; N151-L173 PolarHBondContact OD1-O 3.22Å; N151-F175 WeakPolarHBondContact OD1-CB 3.27Å; N151-F175 WeakPolarHBondContact OD1-CD2 3.28Å; N151-F175 PolarHBondContact OD1-N 2.94Å
152	T	93.5	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.			trans	-51.1	148.3	174.2	-176.5	0	0	0	0	111.5	E126 S150 S154 L155 I157 M160 H174 F221	E126-T152 VanDerWaalsContact CD-OG1 3.25Å; E126-T152 WeakPolarHBondContact OE1-CA 3.29Å; E126-T152 WeakPolarHBondContact OE1-CB 3.45Å; E126-T152 PolarHBondContact OE1-OG1 3.38Å; S150-T152 VanDerWaalsContact C-N 3.32Å; S150-T152 WeakPolarHBondContact OG-CB 3.09Å; S150-T152 WeakPolarHBondContact OG-CG2 3.21Å; S150-T152 PolarHBondContact OG-N 3.34Å; S150-T152 VanDerWaalsContact OG-N 3.09Å; T152-S154 PolarHBondContact OG1-N 3.22Å; T152-L155 HydrophobicContact CG2-CB 4.24Å; T152-L155 VanDerWaalsContact CG2-O 3.29Å; T152-L155 WeakPolarHBondContact CG2-O 3.45Å; T152-L155 VanDerWaalsContact OG1-CB 3.28Å; T152-L155 WeakPolarHBondContact OG1-CB 3.23Å; T152-L155 PolarHBondContact OG1-N 2.84Å; T152-I157 HydrophobicContact CG2-CD1 3.55Å; T152-M160 HydrophobicContact CG2-CE 3.55Å; T152-H174 PolarHBondContact O-CD2 3.37Å; T152-F221 HydrophobicContact CG2-CZ 4.44Å; T152-F221 VanDerWaalsContact O-CE2 3.28Å; T152-F221 WeakPolarHBondContact O-CE2 3.41Å
153	S	86.3	Confident	94.6	Very high	35 Å²	35	29.8 Å²	29.8	25%	0.245	17%	0.174	C	C	.	.	S	Bend	trans	-102.3	-16	178.5	-63.7	0	0	0	0	113.3	E126 H174	E126-S153 PolarHBondContact OE1-N 3.46Å; S153-H174 PolarHBondContact OG-CD2 2.87Å; S153-H174 PolarHBondContact OG-NE2 2.81Å
154	S	77.6	Confident	94.7	Very high	15 Å²	15	29 Å²	29	11%	0.105	17%	0.169	C	C	.	.	S	Bend	trans	-143.7	-16.3	-169.9	62.1	0	0	0	0	115.4	T152	T152-S154 PolarHBondContact OG1-N 3.22Å
155	L	90.8	Very high	94.8	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	16%	0.164	C	C	.	.	S	Bend	trans	-87.3	139	-178.6	-60	177.8	0	0	0	110.9	E126 M128 K131 T152 I157	E126-L155 HydrophobicContact CG-CD1 4.2Å; E126-L155 HydrophobicContact CG-CG 4.29Å; M128-L155 HydrophobicContact CB-CD1 4.44Å; M128-L155 HydrophobicContact CE-CB 3.78Å; M128-L155 HydrophobicContact CE-CD2 4.27Å; M128-L155 HydrophobicContact CE-CG 4.41Å; K131-L155 HydrophobicContact CD-CD1 3.82Å; T152-L155 HydrophobicContact CG2-CB 4.24Å; T152-L155 VanDerWaalsContact CG2-O 3.29Å; T152-L155 WeakPolarHBondContact CG2-O 3.45Å; T152-L155 VanDerWaalsContact OG1-CB 3.28Å; T152-L155 WeakPolarHBondContact OG1-CB 3.23Å; T152-L155 PolarHBondContact OG1-N 2.84Å; L155-I157 PolarHBondContact O-N 3.36Å
156	P	93.3	Very high	94.8	Very high	18 Å²	18	22.6 Å²	22.6	12%	0.117	15%	0.149	C	C	.	.			trans	-62.1	129	176.4	-22.5	33.2	0	0	0	111.7	S158 D159 D217	P156-S158 VanDerWaalsContact C-N 3.26Å; P156-S158 PolarHBondContact O-N 3.02Å; P156-D159 HydrophobicContact CB-CB 4.22Å; P156-D159 PolarHBondContact O-N 3.18Å; P156-D217 WeakPolarHBondContact CA-OD1 3.21Å
157	I	96.3	Very high	94.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-35.8	174.7	-54.8	-57	0	0	0	110.7	T152 L155 D159 M160 A161 G171 V188 T190 D217 F221	T152-I157 HydrophobicContact CG2-CD1 3.55Å; L155-I157 PolarHBondContact O-N 3.36Å; I157-D159 VanDerWaalsContact C-N 3.27Å; I157-D159 PolarHBondContact O-N 3.38Å; I157-M160 HydrophobicContact CD1-CE 3.47Å; I157-M160 VanDerWaalsContact CD1-CE 3.47Å; I157-M160 HydrophobicContact CG1-CE 4.49Å; I157-M160 PolarHBondContact O-N 2.96Å; I157-A161 WeakPolarHBondContact O-CB 3.17Å; I157-A161 PolarHBondContact O-N 3.27Å; I157-G171 VanDerWaalsContact CG2-C 3.49Å; I157-G171 WeakPolarHBondContact CG2-O 3.35Å; I157-V188 HydrophobicContact CG1-CB 4.16Å; I157-V188 HydrophobicContact CG1-CG1 3.96Å; I157-T190 HydrophobicContact CB-CG2 3.73Å; I157-T190 HydrophobicContact CG2-CG2 3.6Å; I157-D217 VanDerWaalsContact N-CG 3.25Å; I157-D217 PolarHBondContact N-OD1 3.01Å; I157-D217 PolarHBondContact N-OD2 3.21Å; I157-F221 HydrophobicContact CD1-CZ 4.39Å; I157-F221 HydrophobicContact CG1-CZ 4.44Å
158	S	96	Very high	94.8	Very high	47 Å²	47	27.1 Å²	27.1	33%	0.329	18%	0.176	S	C	.	.	H	α-helix	trans	-56.8	-41.3	177.9	60.2	0	0	0	0	112.2	P156 A161 S162 D217	P156-S158 VanDerWaalsContact C-N 3.26Å; P156-S158 PolarHBondContact O-N 3.02Å; S158-A161 PolarHBondContact O-N 3.13Å; S158-S162 PolarHBondContact O-N 3.11Å; S158-D217 WeakPolarHBondContact CB-OD2 3.4Å; S158-D217 PolarHBondContact N-OD2 3.3Å; S158-D217 PolarHBondContact OG-OD2 3.1Å
159	D	94.6	Very high	94.7	Very high	66 Å²	66	30 Å²	30	35%	0.353	19%	0.187	S	C	.	.	H	α-helix	trans	-70.6	-37.1	-177.3	-65.7	1.4	0	0	0	110.4	M128 Q132 P156 I157 S162	M128-D159 HydrophobicContact CE-CB 3.45Å; M128-D159 VanDerWaalsContact CE-CB 3.45Å; M128-D159 HydrophobicContact SD-CB 3.78Å; Q132-D159 PolarHBondContact NE2-O 3.42Å; P156-D159 HydrophobicContact CB-CB 4.22Å; P156-D159 PolarHBondContact O-N 3.18Å; I157-D159 VanDerWaalsContact C-N 3.27Å; I157-D159 PolarHBondContact O-N 3.38Å; D159-S162 PolarHBondContact O-OG 2.89Å
160	M	95.8	Very high	94.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-43.1	173.2	-66.2	-177.8	-72	0	0	111.8	M128 K131 F135 T152 I157 S162 A163	M128-M160 HydrophobicContact CE-CG 4.36Å; M128-M160 HydrophobicContact SD-CG 3.68Å; K131-M160 HydrophobicContact CB-CG 4.18Å; K131-M160 HydrophobicContact CB-SD 3.76Å; K131-M160 HydrophobicContact CD-SD 3.52Å; K131-M160 VanDerWaalsContact CD-SD 3.52Å; K131-M160 HydrophobicContact CG-SD 4.24Å; F135-M160 HydrophobicContact CD1-CB 4.42Å; F135-M160 HydrophobicContact CE1-CB 4.47Å; T152-M160 HydrophobicContact CG2-CE 3.55Å; I157-M160 HydrophobicContact CD1-CE 3.47Å; I157-M160 VanDerWaalsContact CD1-CE 3.47Å; I157-M160 HydrophobicContact CG1-CE 4.49Å; I157-M160 PolarHBondContact O-N 2.96Å; M160-S162 PolarHBondContact O-N 3.28Å; M160-A163 WeakPolarHBondContact O-CB 3.5Å; M160-A163 PolarHBondContact O-N 2.88Å; M160-A163 VanDerWaalsContact O-N 3.13Å
161	A	96.3	Very high	94.7	Very high	3 Å²	3	30 Å²	30	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-32.1	177.5	0	0	0	0	0	112.2	I157 S158 A163 T164 P167 C170	I157-A161 WeakPolarHBondContact O-CB 3.17Å; I157-A161 PolarHBondContact O-N 3.27Å; S158-A161 PolarHBondContact O-N 3.13Å; A161-A163 PolarHBondContact O-N 2.8Å; A161-T164 PolarHBondContact O-N 3.42Å; A161-T164 PolarHBondContact O-OG1 2.91Å; A161-P167 HydrophobicContact CB-CB 4.38Å; A161-C170 HydrophobicContact CB-CB 3.49Å; A161-C170 VanDerWaalsContact CB-CB 3.49Å
162	S	96.7	Very high	94.7	Very high	85 Å²	85	29.5 Å²	29.5	59%	0.594	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.5	177.9	80.5	0	0	0	0	114.1	S158 D159 M160 T164	S158-S162 PolarHBondContact O-N 3.11Å; D159-S162 PolarHBondContact O-OG 2.89Å; M160-S162 PolarHBondContact O-N 3.28Å; S162-T164 PolarHBondContact O-N 3.21Å
163	A	96.8	Very high	94.9	Very high	37 Å²	37	29.5 Å²	29.5	31%	0.306	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.9	175.7	0	0	0	0	0	113.4	Q132 G136 M160 A161	Q132-A163 HydrophobicContact CB-CB 3.86Å; Q132-A163 HydrophobicContact CG-CB 4.08Å; Q132-A163 WeakPolarHBondContact O-CB 3.48Å; G136-A163 WeakPolarHBondContact CA-O 3.35Å; M160-A163 WeakPolarHBondContact O-CB 3.5Å; M160-A163 PolarHBondContact O-N 2.88Å; M160-A163 VanDerWaalsContact O-N 3.13Å; A161-A163 PolarHBondContact O-N 2.8Å
164	T	97.3	Very high	95.4	Very high	18 Å²	18	28 Å²	28	11%	0.11	17%	0.173	C	C	.	.	S	Bend	trans	-120	160.2	-177	74.8	0	0	0	0	111.8	F135 D139 F148 A161 S162 R166	F135-T164 HydrophobicContact CB-CG2 3.81Å; F135-T164 HydrophobicContact CD1-CG2 3.98Å; F135-T164 HydrophobicContact CG-CG2 4.41Å; D139-T164 HydrophobicContact CB-CG2 4.22Å; F148-T164 HydrophobicContact CD2-CG2 4.19Å; F148-T164 HydrophobicContact CE2-CG2 4.37Å; A161-T164 PolarHBondContact O-N 3.42Å; A161-T164 PolarHBondContact O-OG1 2.91Å; S162-T164 PolarHBondContact O-N 3.21Å; T164-R166 VanDerWaalsContact C-N 3.29Å; T164-R166 PolarHBondContact OG1-N 3.44Å
165	S	96.8	Very high	96.4	Very high	97 Å²	97	27.5 Å²	27.5	68%	0.678	17%	0.168	S	C	*	.	S	Bend	trans	-85.1	2.6	169.1	63.3	0	0	0	0	113.7	D139	D139-S165 PolarHBondContact OD1-OG 2.9Å; D139-S165 WeakPolarHBondContact OD2-CB 3.31Å; D139-S165 PolarHBondContact OD2-N 3.4Å; D139-S165 PolarHBondContact OD2-OG 3.34Å
166	R	96.7	Very high	96.4	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.038	17%	0.168	C	C	.	.			trans	-124.9	47	-177.1	67.3	-178.2	74.2	-178.4	5	114.2	D139 A142 P143 T146 T164 D168 R169 C170	D139-R166 PolarHBondContact O-NH2 3.27Å; D139-R166 IonicContact OD1-CZ 2.75Å; D139-R166 VanDerWaalsContact OD1-CZ 3.26Å; D139-R166 IonicContact OD1-NE 3.26Å; D139-R166 PolarHBondContact OD1-NE 3.19Å; D139-R166 IonicContact OD1-NH2 2.9Å; D139-R166 PolarHBondContact OD1-NH2 2.9Å; D139-R166 VanDerWaalsContact OD1-NH2 3.15Å; A142-R166 PolarHBondContact O-NH2 3.49Å; P143-R166 PolarHBondContact O-NH1 2.99Å; T146-R166 PolarHBondContact O-NH1 3.13Å; T164-R166 VanDerWaalsContact C-N 3.29Å; T164-R166 PolarHBondContact OG1-N 3.44Å; R166-D168 PolarHBondContact O-N 2.85Å; R166-R169 HydrophobicContact CB-CB 4.33Å; R166-R169 HydrophobicContact CG-CB 4.49Å; R166-R169 CarbonylContact O-C 3.54Å; R166-R169 PolarHBondContact O-N 3.37Å; R166-C170 PolarHBondContact O-N 3.43Å
167	P	96.8	Very high	96.2	Very high	42 Å²	42	30.4 Å²	30.4	27%	0.273	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-59.4	-21.8	-177.1	28	-36.5	0	0	0	113.2	A161 R169 C170	A161-P167 HydrophobicContact CB-CB 4.38Å; P167-R169 VanDerWaalsContact C-N 3.28Å; P167-R169 PolarHBondContact O-N 3.09Å; P167-C170 PolarHBondContact O-N 2.68Å
168	D	97.6	Very high	95.8	Very high	55 Å²	55	32.6 Å²	32.6	29%	0.294	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-68.7	-21	172.6	65.8	-61.3	0	0	0	114.6	R166 S192 S194 T197	R166-D168 PolarHBondContact O-N 2.85Å; D168-S192 VanDerWaalsContact CA-O 3.26Å; D168-S192 WeakPolarHBondContact CA-O 3.39Å; D168-S194 WeakPolarHBondContact O-CB 3.39Å; D168-S194 PolarHBondContact O-N 3.02Å; D168-S194 PolarHBondContact O-OG 2.91Å; D168-T197 PolarHBondContact O-OG1 3.47Å; D168-T197 VanDerWaalsContact O-OG1 3.09Å
169	R	97.4	Very high	95.6	Very high	62 Å²	62	30.5 Å²	30.5	23%	0.234	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-112.1	18.7	178.5	-65.6	-177.3	-65.7	-83.7	12.4	112.9	E144 I147 F148 R166 P167	E144-R169 PolarHBondContact O-NE 2.66Å; E144-R169 PolarHBondContact O-NH2 2.84Å; I147-R169 WeakPolarHBondContact CA-O 3.47Å; F148-R169 PolarHBondContact N-O 2.85Å; R166-R169 HydrophobicContact CB-CB 4.33Å; R166-R169 HydrophobicContact CG-CB 4.49Å; R166-R169 CarbonylContact O-C 3.54Å; R166-R169 PolarHBondContact O-N 3.37Å; P167-R169 VanDerWaalsContact C-N 3.28Å; P167-R169 PolarHBondContact O-N 3.09Å
170	C	97.8	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.5	173.3	-71.7	0	0	0	0	110.6	F148 A161 R166 P167 T193	F148-C170 CarbonylContact O-C 3.21Å; F148-C170 VanDerWaalsContact O-CA 3.28Å; F148-C170 WeakPolarHBondContact O-CA 3.44Å; A161-C170 HydrophobicContact CB-CB 3.49Å; A161-C170 VanDerWaalsContact CB-CB 3.49Å; R166-C170 PolarHBondContact O-N 3.43Å; P167-C170 PolarHBondContact O-N 2.68Å; C170-T193 WeakPolarHBondContact O-CG2 3.34Å; C170-T193 PolarHBondContact O-OG1 2.71Å
171	G	97.4	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-176.9	178	0	0	0	0	0	112.7	F148 A149 S150 I157 V188	F148-G171 PolarHBondContact O-N 2.86Å; A149-G171 VanDerWaalsContact CA-O 3.26Å; A149-G171 WeakPolarHBondContact CA-O 3.4Å; S150-G171 PolarHBondContact N-O 3.48Å; S150-G171 VanDerWaalsContact N-O 3.1Å; I157-G171 VanDerWaalsContact CG2-C 3.49Å; I157-G171 WeakPolarHBondContact CG2-O 3.35Å; G171-V188 WeakPolarHBondContact CA-O 3.5Å
172	G	97.4	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139	170.5	0	0	0	0	0	111.3	S150 V187 V188	S150-G172 WeakPolarHBondContact O-CA 3.27Å; G172-V187 WeakPolarHBondContact O-CA 3.32Å; G172-V188 PolarHBondContact N-O 2.95Å; G172-V188 PolarHBondContact O-N 3.37Å
173	L	97.5	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	86.1	165.6	-79	178.3	0	0	0	107.3	L119 V121 A149 S150 N151 F175 V185 V187 L201 F204	L119-L173 HydrophobicContact CD1-CD1 4.49Å; L119-L173 HydrophobicContact CD2-CD1 4.02Å; V121-L173 HydrophobicContact CG2-CD1 4.17Å; A149-L173 HydrophobicContact CB-CB 4.03Å; A149-L173 HydrophobicContact CB-CD1 3.81Å; A149-L173 HydrophobicContact CB-CG 3.82Å; S150-L173 PolarHBondContact O-N 3.43Å; N151-L173 WeakPolarHBondContact CA-O 3.29Å; N151-L173 PolarHBondContact OD1-O 3.22Å; L173-F175 HydrophobicContact CB-CD2 4.38Å; L173-F175 HydrophobicContact CB-CE2 3.77Å; L173-F175 HydrophobicContact CB-CZ 4.5Å; L173-F175 HydrophobicContact CD1-CE2 4.44Å; L173-F175 VanDerWaalsContact O-CD2 3.25Å; L173-F175 WeakPolarHBondContact O-CD2 3.45Å; L173-F175 PolarHBondContact O-N 3.24Å; L173-V185 HydrophobicContact CD2-CG1 4.06Å; L173-V187 HydrophobicContact CD2-CG2 4.06Å; L173-L201 HydrophobicContact CD1-CD2 3.81Å; L173-L201 HydrophobicContact CD2-CB 4.26Å; L173-L201 HydrophobicContact CD2-CD2 4.23Å; L173-L201 HydrophobicContact CG-CD2 3.94Å; L173-F204 HydrophobicContact CD1-CD1 4.06Å; L173-F204 HydrophobicContact CD1-CE1 4.1Å
174	H	97.5	Very high	94.6	Very high	4 Å²	4	42 Å²	42	2%	0.019	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.9	-176.8	177.1	-122.8	0	0	0	110	T152 S153 F176 V185 E186 F221	T152-H174 PolarHBondContact O-CD2 3.37Å; S153-H174 PolarHBondContact OG-CD2 2.87Å; S153-H174 PolarHBondContact OG-NE2 2.81Å; H174-F176 AromaticContact CE1-CE1 3.81Å; H174-F176 AromaticContact CE1-CZ 3.79Å; H174-F176 AromaticContact ND1-CZ 3.7Å; H174-V185 WeakPolarHBondContact O-CA 3.3Å; H174-E186 HydrophobicContact CB-CB 4.19Å; H174-E186 IonicContact CE1-OE2 2.65Å; H174-E186 PolarHBondContact CE1-OE2 3.38Å; H174-E186 IonicContact CG-OE2 3.64Å; H174-E186 PolarHBondContact N-O 2.95Å; H174-E186 IonicContact ND1-OE2 3.25Å; H174-E186 PolarHBondContact ND1-OE2 2.82Å; H174-E186 PolarHBondContact O-N 3.15Å; H174-F221 HydrophobicContact CB-CD2 3.93Å; H174-F221 HydrophobicContact CB-CE2 3.77Å; H174-F221 AromaticContact CG-CD2 3.85Å; H174-F221 AromaticContact CG-CE2 3.87Å; H174-F221 AromaticContact ND1-CD2 3.66Å
175	F	96.7	Very high	94.6	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	160.2	176.9	-65.1	-94.2	0	0	0	111.2	M41 I45 N151 L173 V179 V185 L208 K210	M41-F175 HydrophobicContact CE-CB 3.95Å; M41-F175 WeakPolarHBondContact CE-O 3.5Å; I45-F175 HydrophobicContact CD1-CD2 3.61Å; I45-F175 HydrophobicContact CD1-CE2 4.05Å; I45-F175 HydrophobicContact CD1-CG 4.24Å; I45-F175 HydrophobicContact CG1-CB 4.37Å; I45-F175 HydrophobicContact CG1-CD2 3.72Å; I45-F175 HydrophobicContact CG1-CE2 4.06Å; I45-F175 HydrophobicContact CG1-CG 3.97Å; I45-F175 HydrophobicContact CG2-CE2 4.12Å; I45-F175 HydrophobicContact CG2-CZ 4.28Å; N151-F175 WeakPolarHBondContact OD1-CB 3.27Å; N151-F175 WeakPolarHBondContact OD1-CD2 3.28Å; N151-F175 PolarHBondContact OD1-N 2.94Å; L173-F175 HydrophobicContact CB-CD2 4.38Å; L173-F175 HydrophobicContact CB-CE2 3.77Å; L173-F175 HydrophobicContact CB-CZ 4.5Å; L173-F175 HydrophobicContact CD1-CE2 4.44Å; L173-F175 VanDerWaalsContact O-CD2 3.25Å; L173-F175 WeakPolarHBondContact O-CD2 3.45Å; L173-F175 PolarHBondContact O-N 3.24Å; F175-V179 HydrophobicContact CB-CG1 4.26Å; F175-V179 HydrophobicContact CB-CG2 4.06Å; F175-V179 HydrophobicContact CD1-CG1 3.8Å; F175-V179 HydrophobicContact CE1-CG1 4.49Å; F175-V179 HydrophobicContact CG-CG1 4.25Å; F175-V185 HydrophobicContact CD1-CG1 4.38Å; F175-V185 HydrophobicContact CD1-CG2 3.49Å; F175-V185 VanDerWaalsContact CD1-CG2 3.49Å; F175-V185 HydrophobicContact CE1-CG1 4.34Å; F175-V185 HydrophobicContact CE1-CG2 3.57Å; F175-V185 HydrophobicContact CG-CG2 4.28Å; F175-V185 HydrophobicContact CZ-CG1 4.45Å; F175-V185 HydrophobicContact CZ-CG2 4.4Å; F175-L208 HydrophobicContact CE1-CD1 3.99Å; F175-L208 HydrophobicContact CZ-CD1 4.11Å; F175-K210 HydrophobicContact CD1-CD 4.05Å; F175-K210 HydrophobicContact CE1-CD 3.91Å
176	F	92.4	Very high	94.6	Very high	27 Å²	27	36.6 Å²	36.6	12%	0.118	18%	0.184	C	C	.	.			trans	-113.6	137.8	-179.9	-63.9	-93.2	0	0	0	111.5	H174 P178 V179 M182 L184 E186 V223	H174-F176 AromaticContact CE1-CE1 3.81Å; H174-F176 AromaticContact CE1-CZ 3.79Å; H174-F176 AromaticContact ND1-CZ 3.7Å; F176-P178 CarbonylContact O-C 3.43Å; F176-V179 VanDerWaalsContact O-CA 3.27Å; F176-V179 WeakPolarHBondContact O-CA 3.44Å; F176-V179 PolarHBondContact O-N 3.46Å; F176-V179 VanDerWaalsContact O-N 3.15Å; F176-M182 HydrophobicContact CB-CB 3.84Å; F176-M182 HydrophobicContact CB-CE 4.01Å; F176-M182 HydrophobicContact CB-CG 3.83Å; F176-M182 WeakPolarHBondContact O-CB 3.27Å; F176-M182 WeakPolarHBondContact O-CG 3.38Å; F176-L184 HydrophobicContact CD2-CB 4.07Å; F176-L184 HydrophobicContact CD2-CD2 4.27Å; F176-L184 HydrophobicContact CD2-CG 4.2Å; F176-L184 WeakPolarHBondContact CD2-O 3.38Å; F176-L184 HydrophobicContact CE2-CB 4.22Å; F176-L184 HydrophobicContact CE2-CD2 3.73Å; F176-L184 HydrophobicContact CE2-CG 3.82Å; F176-L184 HydrophobicContact CZ-CD2 4.04Å; F176-E186 HydrophobicContact CE2-CG 4.04Å; F176-E186 HydrophobicContact CZ-CG 4.01Å; F176-V223 HydrophobicContact CD1-CG1 4.5Å; F176-V223 HydrophobicContact CE1-CB 3.65Å; F176-V223 HydrophobicContact CE1-CG1 3.61Å; F176-V223 HydrophobicContact CE1-CG2 3.89Å; F176-V223 HydrophobicContact CE2-CG2 4.46Å; F176-V223 HydrophobicContact CZ-CB 3.71Å; F176-V223 HydrophobicContact CZ-CG1 4.17Å; F176-V223 HydrophobicContact CZ-CG2 3.55Å
177	N	87.4	Confident	94.7	Very high	79 Å²	79	36.3 Å²	36.3	42%	0.422	18%	0.183	S	C	.	.	S	Bend	trans	-77.8	136.6	178	-175.3	40.8	0	0	0	111.3	M41	M41-N177 HydrophobicContact SD-CB 3.83Å
178	P	88.9	Confident	94.7	Very high	48 Å²	48	34.4 Å²	34.4	31%	0.312	17%	0.171	S	C	.	.	S	Bend	cis	-75.8	126.4	-11	-16.1	32.5	0	0	0	113.4	F176 M181 M182	F176-P178 CarbonylContact O-C 3.43Å; P178-M181 PolarHBondContact O-N 3.13Å; P178-M182 WeakPolarHBondContact O-CG 3.49Å; P178-M182 PolarHBondContact O-N 3.39Å
179	V	92.3	Very high	94.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41.7	-172.6	-177.6	0	0	0	0	114.1	M41 I45 E48 F175 F176 M181 K210	M41-V179 HydrophobicContact CE-CG2 3.81Å; M41-V179 HydrophobicContact SD-CG2 4.18Å; I45-V179 HydrophobicContact CG1-CG1 4.2Å; I45-V179 HydrophobicContact CG1-CG2 4.25Å; E48-V179 HydrophobicContact CB-CG1 4.04Å; E48-V179 HydrophobicContact CG-CG1 4.36Å; F175-V179 HydrophobicContact CB-CG1 4.26Å; F175-V179 HydrophobicContact CB-CG2 4.06Å; F175-V179 HydrophobicContact CD1-CG1 3.8Å; F175-V179 HydrophobicContact CE1-CG1 4.49Å; F175-V179 HydrophobicContact CG-CG1 4.25Å; F176-V179 VanDerWaalsContact O-CA 3.27Å; F176-V179 WeakPolarHBondContact O-CA 3.44Å; F176-V179 PolarHBondContact O-N 3.46Å; F176-V179 VanDerWaalsContact O-N 3.15Å; V179-M181 PolarHBondContact O-N 3.07Å; V179-K210 PolarHBondContact O-NZ 3.26Å
180	P	87.4	Confident	94.5	Very high	31 Å²	31	31 Å²	31	20%	0.201	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.7	179.5	-20.7	34.3	0	0	0	115.1	Q47 E48	Q47-P180 HydrophobicContact CG-CG 4.37Å; E48-P180 WeakPolarHBondContact OE2-CA 3.49Å
181	M	87.9	Confident	94.3	Very high	120 Å²	120	37.1 Å²	37.1	59%	0.591	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-34.5	-179.6	-66.6	-63.4	-57.1	0	0	111.6	P178 V179 K183	P178-M181 PolarHBondContact O-N 3.13Å; V179-M181 PolarHBondContact O-N 3.07Å; M181-K183 PolarHBondContact O-N 3.33Å
182	M	91.4	Very high	94.3	Very high	78 Å²	78	40.2 Å²	40.2	38%	0.384	23%	0.227	S	C	.	.			trans	-78	124.8	-177.9	-62.1	-57.5	-76.2	0	0	110.5	F176 P178 K210	F176-M182 HydrophobicContact CB-CB 3.84Å; F176-M182 HydrophobicContact CB-CE 4.01Å; F176-M182 HydrophobicContact CB-CG 3.83Å; F176-M182 WeakPolarHBondContact O-CB 3.27Å; F176-M182 WeakPolarHBondContact O-CG 3.38Å; P178-M182 WeakPolarHBondContact O-CG 3.49Å; P178-M182 PolarHBondContact O-N 3.39Å; M182-K210 PolarHBondContact O-NZ 2.69Å
183	K	94.6	Very high	94.3	Very high	155 Å²	155	40.9 Å²	40.9	67%	0.674	23%	0.231	S	C	*	.			trans	-83.2	-21.1	179.9	-65.9	-175	178	-178.7	0	112.9	M181 K210 T211	M181-K183 PolarHBondContact O-N 3.33Å; K183-K210 CarbonylContact O-C 3.59Å; K183-K210 VanDerWaalsContact O-CA 3.28Å; K183-K210 WeakPolarHBondContact O-CA 3.44Å; K183-K210 VanDerWaalsContact O-CB 3.26Å; K183-K210 WeakPolarHBondContact O-CB 3.32Å; K183-T211 PolarHBondContact O-N 3.39Å
184	L	96.6	Very high	94.3	Very high	50 Å²	50	41.7 Å²	41.7	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.4	-174.6	-172.8	65	0	0	0	111.4	F176 V213 V223	F176-L184 HydrophobicContact CD2-CB 4.07Å; F176-L184 HydrophobicContact CD2-CD2 4.27Å; F176-L184 HydrophobicContact CD2-CG 4.2Å; F176-L184 WeakPolarHBondContact CD2-O 3.38Å; F176-L184 HydrophobicContact CE2-CB 4.22Å; F176-L184 HydrophobicContact CE2-CD2 3.73Å; F176-L184 HydrophobicContact CE2-CG 3.82Å; F176-L184 HydrophobicContact CZ-CD2 4.04Å; L184-V213 HydrophobicContact CD1-CB 4.34Å; L184-V213 HydrophobicContact CD1-CG1 3.64Å; L184-V213 HydrophobicContact CD1-CG2 3.77Å; L184-V213 HydrophobicContact CG-CG2 4.49Å; L184-V223 HydrophobicContact CD2-CG2 3.57Å
185	V	97.8	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	162.1	-178.5	0	0	0	0	108.1	L173 H174 F175 T205 K210 T211 P212 V213	L173-V185 HydrophobicContact CD2-CG1 4.06Å; H174-V185 WeakPolarHBondContact O-CA 3.3Å; F175-V185 HydrophobicContact CD1-CG1 4.38Å; F175-V185 HydrophobicContact CD1-CG2 3.49Å; F175-V185 VanDerWaalsContact CD1-CG2 3.49Å; F175-V185 HydrophobicContact CE1-CG1 4.34Å; F175-V185 HydrophobicContact CE1-CG2 3.57Å; F175-V185 HydrophobicContact CG-CG2 4.28Å; F175-V185 HydrophobicContact CZ-CG1 4.45Å; F175-V185 HydrophobicContact CZ-CG2 4.4Å; V185-T205 HydrophobicContact CB-CG2 3.65Å; V185-T205 HydrophobicContact CG1-CG2 4.27Å; V185-T205 HydrophobicContact CG2-CG2 3.82Å; V185-K210 HydrophobicContact CG2-CB 3.96Å; V185-K210 HydrophobicContact CG2-CD 3.26Å; V185-K210 HydrophobicContact CG2-CG 4.25Å; V185-T211 PolarHBondContact N-O 3Å; V185-T211 VanDerWaalsContact N-O 3.13Å; V185-P212 CarbonylContact O-C 3.6Å; V185-P212 WeakPolarHBondContact O-CA 3.3Å; V185-V213 PolarHBondContact O-N 2.77Å
186	E	98.1	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	170.4	-63.1	174.5	133	0	0	108.9	H174 F176 V213 F221 I222 V223	H174-E186 HydrophobicContact CB-CB 4.19Å; H174-E186 IonicContact CE1-OE2 2.65Å; H174-E186 PolarHBondContact CE1-OE2 3.38Å; H174-E186 IonicContact CG-OE2 3.64Å; H174-E186 PolarHBondContact N-O 2.95Å; H174-E186 IonicContact ND1-OE2 3.25Å; H174-E186 PolarHBondContact ND1-OE2 2.82Å; H174-E186 PolarHBondContact O-N 3.15Å; F176-E186 HydrophobicContact CE2-CG 4.04Å; F176-E186 HydrophobicContact CZ-CG 4.01Å; E186-V213 WeakPolarHBondContact CA-O 3.43Å; E186-V213 HydrophobicContact CB-CG2 4.24Å; E186-V213 HydrophobicContact CG-CG2 3.64Å; E186-F221 WeakPolarHBondContact OE2-CB 3.46Å; E186-I222 VanDerWaalsContact OE1-CA 3.32Å; E186-I222 WeakPolarHBondContact OE1-CA 3.45Å; E186-I222 WeakPolarHBondContact OE1-CB 3.41Å; E186-I222 PolarHBondContact OE1-N 3.1Å; E186-V223 PolarHBondContact OE1-N 2.84Å
187	V	97.7	Very high	94.3	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.9	173.7	-177.1	0	0	0	0	107.6	G172 L173 L201 L202 P212 V213 C214 C215	G172-V187 WeakPolarHBondContact O-CA 3.32Å; L173-V187 HydrophobicContact CD2-CG2 4.06Å; V187-L201 HydrophobicContact CG1-CB 3.71Å; V187-L201 HydrophobicContact CG1-CD1 4.26Å; V187-L202 HydrophobicContact CB-CD2 3.96Å; V187-L202 HydrophobicContact CG1-CD2 4.22Å; V187-L202 HydrophobicContact CG1-CG 4.31Å; V187-L202 HydrophobicContact CG2-CD2 3.83Å; V187-P212 HydrophobicContact CG2-CB 3.97Å; V187-V213 PolarHBondContact N-O 2.87Å; V187-C214 WeakPolarHBondContact O-CA 3.33Å; V187-C215 PolarHBondContact O-N 3.04Å
188	V	96.9	Very high	94.7	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	-173	-164.5	0	0	0	0	109.2	I157 G171 G172 C215 D217 F221	I157-V188 HydrophobicContact CG1-CB 4.16Å; I157-V188 HydrophobicContact CG1-CG1 3.96Å; G171-V188 WeakPolarHBondContact CA-O 3.5Å; G172-V188 PolarHBondContact N-O 2.95Å; G172-V188 PolarHBondContact O-N 3.37Å; V188-C215 WeakPolarHBondContact CA-O 3.21Å; V188-D217 HydrophobicContact CG1-CB 4.01Å; V188-F221 HydrophobicContact CB-CD1 4.46Å; V188-F221 HydrophobicContact CB-CE1 4.2Å; V188-F221 HydrophobicContact CG1-CD1 3.84Å; V188-F221 HydrophobicContact CG1-CE1 3.59Å; V188-F221 HydrophobicContact CG1-CZ 4.35Å; V188-F221 HydrophobicContact CG2-CD1 3.73Å; V188-F221 HydrophobicContact CG2-CD2 4Å; V188-F221 HydrophobicContact CG2-CE1 3.6Å; V188-F221 HydrophobicContact CG2-CE2 3.85Å; V188-F221 HydrophobicContact CG2-CG 3.96Å; V188-F221 HydrophobicContact CG2-CZ 3.67Å
189	A	95.4	Very high	95	Very high	33 Å²	33	48.5 Å²	48.5	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	172.7	0	0	0	0	0	110.5	T193 C215 D217	A189-T193 HydrophobicContact CB-CG2 4.37Å; A189-C215 PolarHBondContact N-O 3.3Å; A189-C215 VanDerWaalsContact N-O 3.12Å; A189-D217 PolarHBondContact O-N 3.45Å
190	T	95.2	Very high	95.2	Very high	14 Å²	14	48.7 Å²	48.7	9%	0.086	28%	0.275	C	S	.	.			trans	-84.5	173.4	168.5	73.6	0	0	0	0	109.9	I157 S192 T193 D217	I157-T190 HydrophobicContact CB-CG2 3.73Å; I157-T190 HydrophobicContact CG2-CG2 3.6Å; T190-S192 PolarHBondContact O-N 3.47Å; T190-S192 PolarHBondContact OG1-N 2.82Å; T190-S192 VanDerWaalsContact OG1-N 3.16Å; T190-T193 PolarHBondContact N-OG1 3.49Å; T190-T193 PolarHBondContact O-N 3.03Å; T190-T193 PolarHBondContact OG1-N 3.03Å; T190-T193 VanDerWaalsContact OG1-N 3.07Å; T190-T193 PolarHBondContact OG1-OG1 3.01Å; T190-D217 HydrophobicContact CG2-CB 4.24Å
191	S	94.4	Very high	95.6	Very high	127 Å²	127	47.3 Å²	47.3	89%	0.888	27%	0.266	S	S	*	.	S	Bend	trans	-64.1	-21.4	171	50.8	0	0	0	0	113.5
192	S	96.4	Very high	96	Very high	65 Å²	65	43.2 Å²	43.2	46%	0.455	25%	0.246	S	C	.	.	S	Bend	trans	-92.1	-23.9	179.7	-58	0	0	0	0	112.6	D168 T190 S194	D168-S192 VanDerWaalsContact CA-O 3.26Å; D168-S192 WeakPolarHBondContact CA-O 3.39Å; T190-S192 PolarHBondContact O-N 3.47Å; T190-S192 PolarHBondContact OG1-N 2.82Å; T190-S192 VanDerWaalsContact OG1-N 3.16Å; S192-S194 PolarHBondContact O-N 3.37Å
193	T	97.4	Very high	96.1	Very high	15 Å²	15	42.5 Å²	42.5	9%	0.092	24%	0.244	C	C	.	.	S	Bend	trans	-59.6	124.5	-176.4	-52.8	0	0	0	0	110.3	C170 A189 T190 T197	C170-T193 WeakPolarHBondContact O-CG2 3.34Å; C170-T193 PolarHBondContact O-OG1 2.71Å; A189-T193 HydrophobicContact CB-CG2 4.37Å; T190-T193 PolarHBondContact N-OG1 3.49Å; T190-T193 PolarHBondContact O-N 3.03Å; T190-T193 PolarHBondContact OG1-N 3.03Å; T190-T193 VanDerWaalsContact OG1-N 3.07Å; T190-T193 PolarHBondContact OG1-OG1 3.01Å; T193-T197 HydrophobicContact CG2-CG2 3.87Å
194	S	97.1	Very high	96.1	Very high	17 Å²	17	35.5 Å²	35.5	12%	0.119	21%	0.214	C	C	.	.			trans	-65.6	148.7	179.7	56.4	0	0	0	0	111.6	D168 S192 E196 T197 S198	D168-S194 WeakPolarHBondContact O-CB 3.39Å; D168-S194 PolarHBondContact O-N 3.02Å; D168-S194 PolarHBondContact O-OG 2.91Å; S192-S194 PolarHBondContact O-N 3.37Å; S194-E196 WeakPolarHBondContact CB-OE2 3.34Å; S194-E196 PolarHBondContact O-N 3.38Å; S194-T197 PolarHBondContact O-N 2.84Å; S194-T197 VanDerWaalsContact OG-CB 3.22Å; S194-T197 WeakPolarHBondContact OG-CB 3.43Å; S194-T197 PolarHBondContact OG-N 3.44Å; S194-T197 PolarHBondContact OG-OG1 3.36Å; S194-S198 PolarHBondContact O-N 3.4Å; S194-S198 PolarHBondContact O-OG 3.12Å; S194-S198 VanDerWaalsContact O-OG 3.11Å
195	P	95.4	Very high	96.1	Very high	98 Å²	98	33.1 Å²	33.1	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-53.5	-39.3	170.4	-26.4	35.4	0	0	0	112.4	S198 E199	P195-S198 PolarHBondContact O-N 2.84Å; P195-E199 WeakPolarHBondContact O-CB 3.44Å; P195-E199 PolarHBondContact O-N 3.41Å
196	E	95.1	Very high	95.9	Very high	96 Å²	96	39 Å²	39	45%	0.449	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-44.9	179	-63.6	76.2	-168.7	0	0	111.5	V25 S194 E199 S200	V25-E196 HydrophobicContact CG1-CG 4.13Å; S194-E196 WeakPolarHBondContact CB-OE2 3.34Å; S194-E196 PolarHBondContact O-N 3.38Å; E196-E199 PolarHBondContact O-N 2.66Å; E196-S200 WeakPolarHBondContact O-CB 3.46Å; E196-S200 PolarHBondContact O-N 2.94Å
197	T	96.3	Very high	95.6	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-44.1	176	-67	0	0	0	0	111.2	I147 D168 T193 S194 E199 S200 L201	I147-T197 HydrophobicContact CD1-CG2 4.24Å; I147-T197 HydrophobicContact CG1-CG2 4.21Å; I147-T197 HydrophobicContact CG2-CG2 3.78Å; D168-T197 PolarHBondContact O-OG1 3.47Å; D168-T197 VanDerWaalsContact O-OG1 3.09Å; T193-T197 HydrophobicContact CG2-CG2 3.87Å; S194-T197 PolarHBondContact O-N 2.84Å; S194-T197 VanDerWaalsContact OG-CB 3.22Å; S194-T197 WeakPolarHBondContact OG-CB 3.43Å; S194-T197 PolarHBondContact OG-N 3.44Å; S194-T197 PolarHBondContact OG-OG1 3.36Å; T197-E199 VanDerWaalsContact C-N 3.31Å; T197-E199 PolarHBondContact O-N 2.87Å; T197-S200 PolarHBondContact O-N 3.5Å; T197-L201 HydrophobicContact CG2-CD1 4.18Å; T197-L201 HydrophobicContact CG2-CG 4.43Å; T197-L201 WeakPolarHBondContact O-CG 3.27Å; T197-L201 PolarHBondContact O-N 3.35Å
198	S	95.8	Very high	95.3	Very high	25 Å²	25	41.5 Å²	41.5	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-44.4	177.5	-58.5	0	0	0	0	111	S194 P195 L201 L202	S194-S198 PolarHBondContact O-N 3.4Å; S194-S198 PolarHBondContact O-OG 3.12Å; S194-S198 VanDerWaalsContact O-OG 3.11Å; P195-S198 PolarHBondContact O-N 2.84Å; S198-L201 PolarHBondContact O-N 3.46Å; S198-L202 WeakPolarHBondContact O-CB 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.28Å; S198-L202 PolarHBondContact O-N 2.95Å
199	E	95.6	Very high	95	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-43.8	177.4	-164	-171.6	150.1	0	0	112.1	N27 P195 E196 T197 L201 L202 N203	N27-E199 PolarHBondContact ND2-OE1 3.37Å; P195-E199 WeakPolarHBondContact O-CB 3.44Å; P195-E199 PolarHBondContact O-N 3.41Å; E196-E199 PolarHBondContact O-N 2.66Å; T197-E199 VanDerWaalsContact C-N 3.31Å; T197-E199 PolarHBondContact O-N 2.87Å; E199-L201 PolarHBondContact O-N 3.28Å; E199-L202 PolarHBondContact O-N 3.3Å; E199-N203 WeakPolarHBondContact O-CB 3.34Å; E199-N203 VanDerWaalsContact O-CG 3.25Å; E199-N203 PolarHBondContact O-N 3.05Å; E199-N203 PolarHBondContact O-ND2 3.37Å
200	S	95.8	Very high	95	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-44.8	174.5	-85.2	0	0	0	0	112.2	V28 E196 T197 N203 F204	V28-S200 PolarHBondContact O-OG 2.94Å; E196-S200 WeakPolarHBondContact O-CB 3.46Å; E196-S200 PolarHBondContact O-N 2.94Å; T197-S200 PolarHBondContact O-N 3.5Å; S200-N203 PolarHBondContact O-N 3.45Å; S200-F204 VanDerWaalsContact O-CB 3.25Å; S200-F204 WeakPolarHBondContact O-CB 3.36Å; S200-F204 PolarHBondContact O-N 3.37Å
201	L	96.4	Very high	95.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-38.5	177.5	-67.9	178.9	0	0	0	112.5	L119 I147 A149 L173 V187 T197 S198 E199 T205	L119-L201 HydrophobicContact CD1-CD2 3.84Å; I147-L201 HydrophobicContact CG2-CD1 4.47Å; I147-L201 HydrophobicContact CG2-CD2 3.83Å; I147-L201 HydrophobicContact CG2-CG 4.25Å; A149-L201 HydrophobicContact CB-CD2 4.41Å; L173-L201 HydrophobicContact CD1-CD2 3.81Å; L173-L201 HydrophobicContact CD2-CB 4.26Å; L173-L201 HydrophobicContact CD2-CD2 4.23Å; L173-L201 HydrophobicContact CG-CD2 3.94Å; V187-L201 HydrophobicContact CG1-CB 3.71Å; V187-L201 HydrophobicContact CG1-CD1 4.26Å; T197-L201 HydrophobicContact CG2-CD1 4.18Å; T197-L201 HydrophobicContact CG2-CG 4.43Å; T197-L201 WeakPolarHBondContact O-CG 3.27Å; T197-L201 PolarHBondContact O-N 3.35Å; S198-L201 PolarHBondContact O-N 3.46Å; E199-L201 PolarHBondContact O-N 3.28Å; L201-T205 WeakPolarHBondContact O-CB 3.29Å; L201-T205 PolarHBondContact O-N 2.81Å; L201-T205 PolarHBondContact O-OG1 3.34Å
202	L	96.1	Very high	95.3	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-46	175	-71.5	169.5	0	0	0	111.7	V187 S198 E199 T205 K206 P212 C214	V187-L202 HydrophobicContact CB-CD2 3.96Å; V187-L202 HydrophobicContact CG1-CD2 4.22Å; V187-L202 HydrophobicContact CG1-CG 4.31Å; V187-L202 HydrophobicContact CG2-CD2 3.83Å; S198-L202 WeakPolarHBondContact O-CB 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.28Å; S198-L202 PolarHBondContact O-N 2.95Å; E199-L202 PolarHBondContact O-N 3.3Å; L202-T205 PolarHBondContact O-N 3.25Å; L202-K206 WeakPolarHBondContact O-CG 3.5Å; L202-K206 PolarHBondContact O-N 3.41Å; L202-P212 HydrophobicContact CD2-CB 3.57Å; L202-P212 HydrophobicContact CD2-CG 4.08Å; L202-C214 VanDerWaalsContact CD2-SG 3.56Å
203	N	94.4	Very high	95.3	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-40.9	179.3	-72.9	-21.3	0	0	0	111.2	E199 S200 K206 A207	E199-N203 WeakPolarHBondContact O-CB 3.34Å; E199-N203 VanDerWaalsContact O-CG 3.25Å; E199-N203 PolarHBondContact O-N 3.05Å; E199-N203 PolarHBondContact O-ND2 3.37Å; S200-N203 PolarHBondContact O-N 3.45Å; N203-K206 PolarHBondContact O-N 2.92Å; N203-A207 WeakPolarHBondContact O-CB 3.41Å; N203-A207 PolarHBondContact O-N 2.94Å
204	F	94.7	Very high	95.2	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-48.8	172.1	178.5	-110.1	0	0	0	111.9	I30 V33 V49 H55 L119 L173 S200 K206 A207 L208	I30-F204 HydrophobicContact CB-CD2 4.22Å; I30-F204 HydrophobicContact CD1-CB 3.94Å; I30-F204 HydrophobicContact CD1-CD2 4.18Å; I30-F204 HydrophobicContact CD1-CG 4.1Å; I30-F204 HydrophobicContact CG2-CD2 3.94Å; I30-F204 HydrophobicContact CG2-CE2 3.99Å; V33-F204 HydrophobicContact CG2-CE2 3.97Å; V33-F204 HydrophobicContact CG2-CZ 4.09Å; V49-F204 HydrophobicContact CG1-CE2 4.47Å; V49-F204 HydrophobicContact CG1-CZ 4.25Å; V49-F204 HydrophobicContact CG2-CZ 3.79Å; H55-F204 AromaticContact CD2-CE2 3.83Å; H55-F204 AromaticContact NE2-CD2 3.95Å; H55-F204 AromaticContact NE2-CE2 3.79Å; L119-F204 HydrophobicContact CD2-CD1 3.76Å; L119-F204 HydrophobicContact CD2-CD2 4.42Å; L119-F204 HydrophobicContact CD2-CE1 3.45Å; L119-F204 VanDerWaalsContact CD2-CE1 3.45Å; L119-F204 HydrophobicContact CD2-CE2 4.17Å; L119-F204 HydrophobicContact CD2-CG 4.22Å; L119-F204 HydrophobicContact CD2-CZ 3.67Å; L173-F204 HydrophobicContact CD1-CD1 4.06Å; L173-F204 HydrophobicContact CD1-CE1 4.1Å; S200-F204 VanDerWaalsContact O-CB 3.25Å; S200-F204 WeakPolarHBondContact O-CB 3.36Å; S200-F204 PolarHBondContact O-N 3.37Å; F204-K206 VanDerWaalsContact C-N 3.31Å; F204-K206 PolarHBondContact O-N 3.3Å; F204-A207 WeakPolarHBondContact O-CB 3.24Å; F204-A207 PolarHBondContact O-N 2.82Å; F204-A207 VanDerWaalsContact O-N 3.08Å; F204-L208 HydrophobicContact CD1-CD1 4.16Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE1-CG 4.35Å; F204-L208 HydrophobicContact CE2-CD2 4.37Å; F204-L208 HydrophobicContact CZ-CD1 3.99Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 HydrophobicContact CZ-CG 4.31Å; F204-L208 WeakPolarHBondContact O-CG 3.24Å; F204-L208 PolarHBondContact O-N 2.86Å
205	T	95.3	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-42.4	178.4	-59.5	0	0	0	0	112	V185 L201 L202 L208 K210 P212	V185-T205 HydrophobicContact CB-CG2 3.65Å; V185-T205 HydrophobicContact CG1-CG2 4.27Å; V185-T205 HydrophobicContact CG2-CG2 3.82Å; L201-T205 WeakPolarHBondContact O-CB 3.29Å; L201-T205 PolarHBondContact O-N 2.81Å; L201-T205 PolarHBondContact O-OG1 3.34Å; L202-T205 PolarHBondContact O-N 3.25Å; T205-L208 WeakPolarHBondContact O-CB 3.35Å; T205-L208 PolarHBondContact O-N 2.85Å; T205-K210 HydrophobicContact CG2-CB 3.77Å; T205-K210 WeakPolarHBondContact O-CB 3.46Å; T205-K210 PolarHBondContact O-N 3.35Å; T205-P212 HydrophobicContact CG2-CB 3.71Å; T205-P212 HydrophobicContact CG2-CG 4.22Å
206	K	94.1	Very high	94.9	Very high	123 Å²	123	47.6 Å²	47.6	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-40.9	174.9	-69.3	169.7	-173.3	170.2	0	111.7	L202 N203 F204 L208 G209 P212	L202-K206 WeakPolarHBondContact O-CG 3.5Å; L202-K206 PolarHBondContact O-N 3.41Å; N203-K206 PolarHBondContact O-N 2.92Å; F204-K206 VanDerWaalsContact C-N 3.31Å; F204-K206 PolarHBondContact O-N 3.3Å; K206-L208 PolarHBondContact O-N 3.43Å; K206-G209 PolarHBondContact O-N 3.2Å; K206-P212 HydrophobicContact CG-CG 3.89Å
207	A	91.9	Very high	94.8	Very high	56 Å²	56	44.5 Å²	44.5	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-34.6	176.8	0	0	0	0	0	111.7	T53 N203 F204 G209	T53-A207 HydrophobicContact CG2-CB 3.99Å; T53-A207 WeakPolarHBondContact CG2-O 3.36Å; N203-A207 WeakPolarHBondContact O-CB 3.41Å; N203-A207 PolarHBondContact O-N 2.94Å; F204-A207 WeakPolarHBondContact O-CB 3.24Å; F204-A207 PolarHBondContact O-N 2.82Å; F204-A207 VanDerWaalsContact O-N 3.08Å; A207-G209 PolarHBondContact O-N 2.9Å; A207-G209 VanDerWaalsContact O-N 3.1Å
208	L	91.4	Very high	94.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.2	172.9	-61.7	177.3	0	0	0	114.2	V49 S52 T53 F175 F204 T205 K206 K210	V49-L208 HydrophobicContact CB-CD2 4.28Å; V49-L208 HydrophobicContact CG2-CD1 4.38Å; V49-L208 HydrophobicContact CG2-CD2 3.96Å; S52-L208 WeakPolarHBondContact CB-O 3.48Å; S52-L208 PolarHBondContact OG-O 2.58Å; T53-L208 HydrophobicContact CG2-CD2 3.74Å; T53-L208 HydrophobicContact CG2-CG 4.44Å; F175-L208 HydrophobicContact CE1-CD1 3.99Å; F175-L208 HydrophobicContact CZ-CD1 4.11Å; F204-L208 HydrophobicContact CD1-CD1 4.16Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE1-CG 4.35Å; F204-L208 HydrophobicContact CE2-CD2 4.37Å; F204-L208 HydrophobicContact CZ-CD1 3.99Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 HydrophobicContact CZ-CG 4.31Å; F204-L208 WeakPolarHBondContact O-CG 3.24Å; F204-L208 PolarHBondContact O-N 2.86Å; T205-L208 WeakPolarHBondContact O-CB 3.35Å; T205-L208 PolarHBondContact O-N 2.85Å; K206-L208 PolarHBondContact O-N 3.43Å; L208-K210 HydrophobicContact CB-CG 4.1Å; L208-K210 PolarHBondContact O-N 2.65Å
209	G	91.6	Very high	94	Very high	63 Å²	63	48 Å²	48	65%	0.649	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	16.3	-172.1	0	0	0	0	0	113.1	K206 A207	K206-G209 PolarHBondContact O-N 3.2Å; A207-G209 PolarHBondContact O-N 2.9Å; A207-G209 VanDerWaalsContact O-N 3.1Å
210	K	95.1	Very high	93.7	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.048	26%	0.263	C	S	.	.			trans	-97.3	159.3	177.9	-63.2	-165.4	-172.1	-55.6	0	111.3	E48 F175 V179 M182 K183 V185 T205 L208 P212	E48-K210 VanDerWaalsContact OE1-CE 3.3Å; E48-K210 WeakPolarHBondContact OE1-CE 3.38Å; E48-K210 IonicContact OE1-NZ 3.2Å; E48-K210 PolarHBondContact OE1-NZ 3.35Å; E48-K210 IonicContact OE2-NZ 2.66Å; F175-K210 HydrophobicContact CD1-CD 4.05Å; F175-K210 HydrophobicContact CE1-CD 3.91Å; V179-K210 PolarHBondContact O-NZ 3.26Å; M182-K210 PolarHBondContact O-NZ 2.69Å; K183-K210 CarbonylContact O-C 3.59Å; K183-K210 VanDerWaalsContact O-CA 3.28Å; K183-K210 WeakPolarHBondContact O-CA 3.44Å; K183-K210 VanDerWaalsContact O-CB 3.26Å; K183-K210 WeakPolarHBondContact O-CB 3.32Å; V185-K210 HydrophobicContact CG2-CB 3.96Å; V185-K210 HydrophobicContact CG2-CD 3.26Å; V185-K210 HydrophobicContact CG2-CG 4.25Å; T205-K210 HydrophobicContact CG2-CB 3.77Å; T205-K210 WeakPolarHBondContact O-CB 3.46Å; T205-K210 PolarHBondContact O-N 3.35Å; L208-K210 HydrophobicContact CB-CG 4.1Å; L208-K210 PolarHBondContact O-N 2.65Å; K210-P212 VanDerWaalsContact O-CD 3.3Å; K210-P212 WeakPolarHBondContact O-CD 3.36Å
211	T	97.4	Very high	93.6	Very high	80 Å²	80	44.3 Å²	44.3	49%	0.491	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.4	176.3	-54.6	0	0	0	0	108.3	K183 V185	K183-T211 PolarHBondContact O-N 3.39Å; V185-T211 PolarHBondContact N-O 3Å; V185-T211 VanDerWaalsContact N-O 3.13Å
212	P	97.2	Very high	93.6	Very high	28 Å²	28	47.4 Å²	47.4	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.1	173	27.8	-32.1	0	0	0	110.9	V185 V187 L202 T205 K206 K210	V185-P212 CarbonylContact O-C 3.6Å; V185-P212 WeakPolarHBondContact O-CA 3.3Å; V187-P212 HydrophobicContact CG2-CB 3.97Å; L202-P212 HydrophobicContact CD2-CB 3.57Å; L202-P212 HydrophobicContact CD2-CG 4.08Å; T205-P212 HydrophobicContact CG2-CB 3.71Å; T205-P212 HydrophobicContact CG2-CG 4.22Å; K206-P212 HydrophobicContact CG-CG 3.89Å; K210-P212 VanDerWaalsContact O-CD 3.3Å; K210-P212 WeakPolarHBondContact O-CD 3.36Å
213	V	97.1	Very high	93.5	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.5	161.5	-63.6	0	0	0	0	109	L184 V185 E186 V187 I222	L184-V213 HydrophobicContact CD1-CB 4.34Å; L184-V213 HydrophobicContact CD1-CG1 3.64Å; L184-V213 HydrophobicContact CD1-CG2 3.77Å; L184-V213 HydrophobicContact CG-CG2 4.49Å; V185-V213 PolarHBondContact O-N 2.77Å; E186-V213 WeakPolarHBondContact CA-O 3.43Å; E186-V213 HydrophobicContact CB-CG2 4.24Å; E186-V213 HydrophobicContact CG-CG2 3.64Å; V187-V213 PolarHBondContact N-O 2.87Å; V213-I222 HydrophobicContact CB-CD1 4.37Å; V213-I222 HydrophobicContact CG2-CD1 4.09Å
214	C	95.1	Very high	93.5	Very high	89 Å²	89	45.6 Å²	45.6	60%	0.601	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.4	179.6	-55.9	0	0	0	0	110.1	V187 L202	V187-C214 WeakPolarHBondContact O-CA 3.33Å; L202-C214 VanDerWaalsContact CD2-SG 3.56Å
215	C	93.6	Very high	93.5	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.108	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.7	171.4	61.1	0	0	0	0	111.6	V187 V188 A189 I222	V187-C215 PolarHBondContact O-N 3.04Å; V188-C215 WeakPolarHBondContact CA-O 3.21Å; A189-C215 PolarHBondContact N-O 3.3Å; A189-C215 VanDerWaalsContact N-O 3.12Å; C215-I222 HydrophobicContact CB-CD1 3.81Å; C215-I222 HydrophobicContact CB-CG1 3.65Å
216	K	93.4	Very high	93.5	Very high	167 Å²	167	54.5 Å²	54.5	73%	0.726	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	157.7	171.5	-66.2	-175.5	179.1	-178.5	0	109.2	T218	K216-T218 HydrophobicContact CB-CG2 4.25Å; K216-T218 PolarHBondContact O-N 3.42Å; K216-T218 PolarHBondContact O-OG1 2.97Å
217	D	93.2	Very high	93.5	Very high	32 Å²	32	50.9 Å²	50.9	17%	0.171	30%	0.298	C	S	.	.	S	Bend	trans	-69.3	78.7	170.8	-171.3	26	0	0	0	111.4	P156 I157 S158 V188 A189 T190	P156-D217 WeakPolarHBondContact CA-OD1 3.21Å; I157-D217 VanDerWaalsContact N-CG 3.25Å; I157-D217 PolarHBondContact N-OD1 3.01Å; I157-D217 PolarHBondContact N-OD2 3.21Å; S158-D217 WeakPolarHBondContact CB-OD2 3.4Å; S158-D217 PolarHBondContact N-OD2 3.3Å; S158-D217 PolarHBondContact OG-OD2 3.1Å; V188-D217 HydrophobicContact CG1-CB 4.01Å; A189-D217 PolarHBondContact O-N 3.45Å; T190-D217 HydrophobicContact CG2-CB 4.24Å
218	T	89.6	Confident	93.7	Very high	65 Å²	65	48.3 Å²	48.3	40%	0.399	28%	0.277	S	S	.	.			trans	-124.5	145.2	175.7	53.7	0	0	0	0	109	K216 G220 F221	K216-T218 HydrophobicContact CB-CG2 4.25Å; K216-T218 PolarHBondContact O-N 3.42Å; K216-T218 PolarHBondContact O-OG1 2.97Å; T218-G220 PolarHBondContact O-N 3.38Å; T218-F221 WeakPolarHBondContact O-CD1 3.44Å; T218-F221 PolarHBondContact O-N 2.67Å
219	P	86.1	Confident	93.9	Very high	40 Å²	40	48.9 Å²	48.9	26%	0.26	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	124.6	-176.8	-26.6	33.5	0	0	0	112.5	F221 R225	P219-F221 VanDerWaalsContact C-N 3.29Å; P219-F221 PolarHBondContact O-N 2.79Å; P219-R225 WeakPolarHBondContact O-CD 3.36Å
220	G	88.4	Confident	94.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	3.8	179.5	0	0	0	0	0	116.4	T218 I222 N224 R225	T218-G220 PolarHBondContact O-N 3.38Å; G220-I222 PolarHBondContact O-N 3.22Å; G220-N224 CarbonylContact O-C 3.59Å; G220-N224 WeakPolarHBondContact O-CB 3.1Å; G220-N224 PolarHBondContact O-N 3.46Å; G220-R225 PolarHBondContact O-N 3.46Å
221	F	94	Very high	94.2	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-122.6	177.3	-51.4	-40	0	0	0	112.5	T152 I157 H174 E186 V188 T218 P219 R225	T152-F221 HydrophobicContact CG2-CZ 4.44Å; T152-F221 VanDerWaalsContact O-CE2 3.28Å; T152-F221 WeakPolarHBondContact O-CE2 3.41Å; I157-F221 HydrophobicContact CD1-CZ 4.39Å; I157-F221 HydrophobicContact CG1-CZ 4.44Å; H174-F221 HydrophobicContact CB-CD2 3.93Å; H174-F221 HydrophobicContact CB-CE2 3.77Å; H174-F221 AromaticContact CG-CD2 3.85Å; H174-F221 AromaticContact CG-CE2 3.87Å; H174-F221 AromaticContact ND1-CD2 3.66Å; E186-F221 WeakPolarHBondContact OE2-CB 3.46Å; V188-F221 HydrophobicContact CB-CD1 4.46Å; V188-F221 HydrophobicContact CB-CE1 4.2Å; V188-F221 HydrophobicContact CG1-CD1 3.84Å; V188-F221 HydrophobicContact CG1-CE1 3.59Å; V188-F221 HydrophobicContact CG1-CZ 4.35Å; V188-F221 HydrophobicContact CG2-CD1 3.73Å; V188-F221 HydrophobicContact CG2-CD2 4Å; V188-F221 HydrophobicContact CG2-CE1 3.6Å; V188-F221 HydrophobicContact CG2-CE2 3.85Å; V188-F221 HydrophobicContact CG2-CG 3.96Å; V188-F221 HydrophobicContact CG2-CZ 3.67Å; T218-F221 WeakPolarHBondContact O-CD1 3.44Å; T218-F221 PolarHBondContact O-N 2.67Å; P219-F221 VanDerWaalsContact C-N 3.29Å; P219-F221 PolarHBondContact O-N 2.79Å; F221-R225 WeakPolarHBondContact O-CB 3.5Å
222	I	95.2	Very high	94.1	Very high	66 Å²	66	44.1 Å²	44.1	34%	0.338	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-60.5	177.1	-53.9	173.4	0	0	0	109.3	E186 V213 C215 G220 R225 L226	E186-I222 VanDerWaalsContact OE1-CA 3.32Å; E186-I222 WeakPolarHBondContact OE1-CA 3.45Å; E186-I222 WeakPolarHBondContact OE1-CB 3.41Å; E186-I222 PolarHBondContact OE1-N 3.1Å; V213-I222 HydrophobicContact CB-CD1 4.37Å; V213-I222 HydrophobicContact CG2-CD1 4.09Å; C215-I222 HydrophobicContact CB-CD1 3.81Å; C215-I222 HydrophobicContact CB-CG1 3.65Å; G220-I222 PolarHBondContact O-N 3.22Å; I222-R225 PolarHBondContact O-N 3.38Å; I222-L226 HydrophobicContact CG2-CD1 4.13Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.21Å; I222-L226 VanDerWaalsContact O-N 3.11Å
223	V	94.9	Very high	94.1	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-54.8	-169.4	175.8	0	0	0	0	110.7	F176 L184 E186 R225 L226 L227	F176-V223 HydrophobicContact CD1-CG1 4.5Å; F176-V223 HydrophobicContact CE1-CB 3.65Å; F176-V223 HydrophobicContact CE1-CG1 3.61Å; F176-V223 HydrophobicContact CE1-CG2 3.89Å; F176-V223 HydrophobicContact CE2-CG2 4.46Å; F176-V223 HydrophobicContact CZ-CB 3.71Å; F176-V223 HydrophobicContact CZ-CG1 4.17Å; F176-V223 HydrophobicContact CZ-CG2 3.55Å; L184-V223 HydrophobicContact CD2-CG2 3.57Å; E186-V223 PolarHBondContact OE1-N 2.84Å; V223-R225 VanDerWaalsContact C-N 3.31Å; V223-R225 PolarHBondContact O-N 3Å; V223-L226 PolarHBondContact O-N 2.92Å; V223-L227 HydrophobicContact CG1-CD2 4.37Å; V223-L227 WeakPolarHBondContact O-CB 3.18Å; V223-L227 PolarHBondContact O-N 3.47Å
224	N	93.6	Very high	94	Very high	22 Å²	22	44.4 Å²	44.4	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-36.9	-177.5	-70.5	-26	0	0	0	110.9	G220 L226 L227 V228 W282	G220-N224 CarbonylContact O-C 3.59Å; G220-N224 WeakPolarHBondContact O-CB 3.1Å; G220-N224 PolarHBondContact O-N 3.46Å; N224-L226 PolarHBondContact O-N 3.4Å; N224-L227 PolarHBondContact O-N 2.96Å; N224-V228 HydrophobicContact CB-CG2 4.33Å; N224-V228 WeakPolarHBondContact O-CB 3.39Å; N224-V228 PolarHBondContact O-N 3.19Å; N224-W282 WeakPolarHBondContact O-CH2 3.07Å
225	R	94.7	Very high	94	Very high	71 Å²	71	40.3 Å²	40.3	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-27.7	179.5	-172.2	55.9	177	112.1	-12.4	113.4	P219 G220 F221 I222 V223 P229 F292	P219-R225 WeakPolarHBondContact O-CD 3.36Å; G220-R225 PolarHBondContact O-N 3.46Å; F221-R225 WeakPolarHBondContact O-CB 3.5Å; I222-R225 PolarHBondContact O-N 3.38Å; V223-R225 VanDerWaalsContact C-N 3.31Å; V223-R225 PolarHBondContact O-N 3Å; R225-P229 VanDerWaalsContact O-CD 3.27Å; R225-P229 WeakPolarHBondContact O-CD 3.15Å; R225-P229 VanDerWaalsContact O-CG 3.27Å; R225-P229 WeakPolarHBondContact O-CG 3.29Å; R225-F292 VanDerWaalsContact CZ-CZ 3.42Å; R225-F292 VanDerWaalsContact NH2-CZ 3.3Å
226	L	95.6	Very high	94.1	Very high	124 Å²	124	40.6 Å²	40.6	65%	0.649	20%	0.202	S	C	*	.	H	α-helix	trans	-90.4	-45.2	172.7	-66.1	174.5	0	0	0	112.2	I222 V223 N224 Y230	I222-L226 HydrophobicContact CG2-CD1 4.13Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.21Å; I222-L226 VanDerWaalsContact O-N 3.11Å; V223-L226 PolarHBondContact O-N 2.92Å; N224-L226 PolarHBondContact O-N 3.4Å; L226-Y230 WeakPolarHBondContact O-CB 3.42Å; L226-Y230 PolarHBondContact O-N 3.03Å
227	L	94.8	Very high	94.1	Very high	46 Å²	46	35.5 Å²	35.5	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-75.6	-42.1	-168.2	-168.3	68.2	0	0	0	112.7	V223 N224 Y230 M231 L266	V223-L227 HydrophobicContact CG1-CD2 4.37Å; V223-L227 WeakPolarHBondContact O-CB 3.18Å; V223-L227 PolarHBondContact O-N 3.47Å; N224-L227 PolarHBondContact O-N 2.96Å; L227-Y230 HydrophobicContact CD1-CD1 4.02Å; L227-Y230 HydrophobicContact CD1-CE1 4.46Å; L227-Y230 WeakPolarHBondContact O-CB 3.47Å; L227-Y230 PolarHBondContact O-N 2.81Å; L227-M231 HydrophobicContact CG-CE 4.13Å; L227-M231 HydrophobicContact CG-SD 4.46Å; L227-M231 WeakPolarHBondContact O-CG 3.35Å; L227-M231 PolarHBondContact O-N 2.85Å; L227-L266 HydrophobicContact CD1-CD2 3.75Å; L227-L266 HydrophobicContact CD2-CD2 4.07Å; L227-L266 HydrophobicContact CG-CD2 4.18Å
228	V	94.9	Very high	94.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-48	-178.4	172.7	0	0	0	0	111.3	N224 Y230 M231 M232 I275 I278 T279 W282	N224-V228 HydrophobicContact CB-CG2 4.33Å; N224-V228 WeakPolarHBondContact O-CB 3.39Å; N224-V228 PolarHBondContact O-N 3.19Å; V228-Y230 VanDerWaalsContact C-N 3.29Å; V228-Y230 PolarHBondContact O-N 3.11Å; V228-M231 HydrophobicContact CB-CE 4.48Å; V228-M231 HydrophobicContact CG2-CE 4.04Å; V228-M231 PolarHBondContact O-N 3.39Å; V228-M232 HydrophobicContact CG1-CG 4.48Å; V228-M232 WeakPolarHBondContact O-CG 3.29Å; V228-M232 PolarHBondContact O-N 3.44Å; V228-I275 HydrophobicContact CG1-CG2 4.38Å; V228-I278 HydrophobicContact CG1-CG2 4.33Å; V228-I278 HydrophobicContact CG2-CG2 4.4Å; V228-T279 HydrophobicContact CG1-CG2 3.4Å; V228-W282 HydrophobicContact CB-CH2 3.79Å; V228-W282 HydrophobicContact CB-CZ3 3.78Å; V228-W282 HydrophobicContact CG1-CH2 4.12Å; V228-W282 HydrophobicContact CG1-CZ3 3.72Å; V228-W282 HydrophobicContact CG2-CH2 4.26Å
229	P	95.6	Very high	94.4	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-34.7	175	-25.5	38.4	0	0	0	113.2	R225 M232 E233 W282 F292	R225-P229 VanDerWaalsContact O-CD 3.27Å; R225-P229 WeakPolarHBondContact O-CD 3.15Å; R225-P229 VanDerWaalsContact O-CG 3.27Å; R225-P229 WeakPolarHBondContact O-CG 3.29Å; P229-M232 PolarHBondContact O-N 2.83Å; P229-E233 PolarHBondContact O-N 2.7Å; P229-W282 HydrophobicContact CG-CZ3 3.96Å; P229-F292 HydrophobicContact CG-CE1 4.3Å
230	Y	96.9	Very high	94.7	Very high	52 Å²	52	40.4 Å²	40.4	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-47.6	172.8	155.6	-104.5	0	0	0	112	L226 L227 V228 M232 E233 A234 M253 Y259 P263	L226-Y230 WeakPolarHBondContact O-CB 3.42Å; L226-Y230 PolarHBondContact O-N 3.03Å; L227-Y230 HydrophobicContact CD1-CD1 4.02Å; L227-Y230 HydrophobicContact CD1-CE1 4.46Å; L227-Y230 WeakPolarHBondContact O-CB 3.47Å; L227-Y230 PolarHBondContact O-N 2.81Å; V228-Y230 VanDerWaalsContact C-N 3.29Å; V228-Y230 PolarHBondContact O-N 3.11Å; Y230-M232 VanDerWaalsContact C-N 3.33Å; Y230-M232 PolarHBondContact O-N 3.15Å; Y230-E233 PolarHBondContact O-N 3.21Å; Y230-A234 PolarHBondContact O-N 3.36Å; Y230-M253 HydrophobicContact CE2-CE 3.76Å; Y230-M253 HydrophobicContact CE2-SD 4.45Å; Y230-M253 WeakPolarHBondContact OH-CG 3.29Å; Y230-Y259 HydrophobicContact CE1-CD2 4.32Å; Y230-Y259 AromaticContact CE1-CE2 3.87Å; Y230-Y259 HydrophobicContact CE1-CE2 3.87Å; Y230-Y259 HydrophobicContact CE2-CE2 4.2Å; Y230-Y259 AromaticContact CZ-CE2 3.61Å; Y230-Y259 WeakPolarHBondContact OH-CD2 3.49Å; Y230-Y259 WeakPolarHBondContact OH-CE2 3.4Å; Y230-P263 HydrophobicContact CE1-CB 3.84Å; Y230-P263 VanDerWaalsContact OH-CD 3.3Å; Y230-P263 WeakPolarHBondContact OH-CD 3.48Å
231	M	96.2	Very high	94.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176	-69.7	-176.7	-61.1	0	0	110.8	L227 V228 E233 A234 L235 L266 I275	L227-M231 HydrophobicContact CG-CE 4.13Å; L227-M231 HydrophobicContact CG-SD 4.46Å; L227-M231 WeakPolarHBondContact O-CG 3.35Å; L227-M231 PolarHBondContact O-N 2.85Å; V228-M231 HydrophobicContact CB-CE 4.48Å; V228-M231 HydrophobicContact CG2-CE 4.04Å; V228-M231 PolarHBondContact O-N 3.39Å; M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 2.8Å; M231-A234 WeakPolarHBondContact O-CB 3.38Å; M231-A234 PolarHBondContact O-N 3.01Å; M231-A234 VanDerWaalsContact O-N 3.14Å; M231-L235 VanDerWaalsContact O-CD1 3.25Å; M231-L235 WeakPolarHBondContact O-CD1 3.45Å; M231-L235 PolarHBondContact O-N 2.85Å; M231-L266 HydrophobicContact SD-CB 4.4Å; M231-L266 HydrophobicContact SD-CD2 4.08Å; M231-L266 HydrophobicContact SD-CG 3.95Å; M231-I275 HydrophobicContact CE-CD1 3.67Å; M231-I275 HydrophobicContact CE-CG1 3.96Å; M231-I275 HydrophobicContact SD-CD1 3.91Å
232	M	96.3	Very high	93.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-38.1	175.9	-70.1	-59.7	-67.5	0	0	112.8	V228 P229 Y230 A234 L235 R236 I275 T279 L298	V228-M232 HydrophobicContact CG1-CG 4.48Å; V228-M232 WeakPolarHBondContact O-CG 3.29Å; V228-M232 PolarHBondContact O-N 3.44Å; P229-M232 PolarHBondContact O-N 2.83Å; Y230-M232 VanDerWaalsContact C-N 3.33Å; Y230-M232 PolarHBondContact O-N 3.15Å; M232-A234 VanDerWaalsContact C-N 3.34Å; M232-L235 WeakPolarHBondContact O-CB 3.35Å; M232-L235 PolarHBondContact O-N 3.25Å; M232-L235 HydrophobicContact SD-CD2 4.2Å; M232-R236 VanDerWaalsContact O-CG 3.28Å; M232-R236 WeakPolarHBondContact O-CG 3.42Å; M232-R236 PolarHBondContact O-N 3.47Å; M232-I275 HydrophobicContact SD-CG2 4.14Å; M232-T279 HydrophobicContact CE-CG2 4.47Å; M232-T279 HydrophobicContact CG-CG2 3.69Å; M232-T279 HydrophobicContact SD-CG2 3.95Å; M232-L298 HydrophobicContact CE-CD2 4.32Å; M232-L298 HydrophobicContact SD-CD2 3.82Å
233	E	96.1	Very high	92.8	Very high	70 Å²	70	52 Å²	52	33%	0.327	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-35.2	173.6	-83	-54.4	124.4	0	0	112.7	P229 Y230 M231 R236 L237 R240	P229-E233 PolarHBondContact O-N 2.7Å; Y230-E233 PolarHBondContact O-N 3.21Å; M231-E233 VanDerWaalsContact C-N 3.34Å; M231-E233 PolarHBondContact O-N 2.8Å; E233-R236 PolarHBondContact O-N 2.7Å; E233-R236 VanDerWaalsContact OE1-CD 3.27Å; E233-R236 WeakPolarHBondContact OE1-CD 3.19Å; E233-R236 IonicContact OE1-CZ 3.47Å; E233-R236 IonicContact OE1-NE 2.7Å; E233-R236 IonicContact OE1-NH1 2.7Å; E233-R236 PolarHBondContact OE1-NH1 3.11Å; E233-L237 WeakPolarHBondContact O-CB 3.47Å; E233-L237 PolarHBondContact O-N 3.27Å; E233-R240 IonicContact OE2-NH2 3.86Å; E233-R240 PolarHBondContact OE2-NH2 3.49Å
234	A	96.1	Very high	92.5	Very high	8 Å²	8	51.3 Å²	51.3	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-42.5	173.7	0	0	0	0	0	111.6	Y230 M231 M232 L237 H238 I249 P263 F264	Y230-A234 PolarHBondContact O-N 3.36Å; M231-A234 WeakPolarHBondContact O-CB 3.38Å; M231-A234 PolarHBondContact O-N 3.01Å; M231-A234 VanDerWaalsContact O-N 3.14Å; M232-A234 VanDerWaalsContact C-N 3.34Å; A234-L237 WeakPolarHBondContact O-CB 3.38Å; A234-L237 PolarHBondContact O-N 3.42Å; A234-H238 PolarHBondContact O-N 3.34Å; A234-I249 HydrophobicContact CB-CG2 4.26Å; A234-P263 HydrophobicContact CB-CB 3.49Å; A234-P263 VanDerWaalsContact CB-CB 3.49Å; A234-P263 HydrophobicContact CB-CG 3.47Å; A234-P263 VanDerWaalsContact CB-CG 3.47Å; A234-F264 HydrophobicContact CB-CE2 4.33Å; A234-F264 WeakPolarHBondContact O-CZ 3.12Å
235	L	94.9	Very high	92.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-49.9	173.2	-90.2	60.1	0	0	0	111.1	M231 M232 L237 H238 E239 F264 L298 F315	M231-L235 VanDerWaalsContact O-CD1 3.25Å; M231-L235 WeakPolarHBondContact O-CD1 3.45Å; M231-L235 PolarHBondContact O-N 2.85Å; M232-L235 WeakPolarHBondContact O-CB 3.35Å; M232-L235 PolarHBondContact O-N 3.25Å; M232-L235 HydrophobicContact SD-CD2 4.2Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L235-L237 PolarHBondContact O-N 2.86Å; L235-H238 WeakPolarHBondContact O-CB 3.38Å; L235-H238 PolarHBondContact O-N 2.92Å; L235-H238 VanDerWaalsContact O-N 3.09Å; L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.35Å; L235-F264 HydrophobicContact CD1-CD1 3.99Å; L235-F264 HydrophobicContact CD1-CE1 3.64Å; L235-F264 HydrophobicContact CD1-CZ 4.32Å; L235-F264 HydrophobicContact CG-CE1 4.1Å; L235-L298 HydrophobicContact CD2-CB 3.9Å; L235-L298 HydrophobicContact CD2-CD1 4.38Å; L235-L298 HydrophobicContact CD2-CD2 4.38Å; L235-L298 HydrophobicContact CD2-CG 4.45Å; L235-F315 HydrophobicContact CD1-CE2 3.95Å; L235-F315 HydrophobicContact CD1-CZ 3.68Å; L235-F315 HydrophobicContact CD2-CZ 3.8Å; L235-F315 HydrophobicContact CG-CE1 4.34Å; L235-F315 HydrophobicContact CG-CE2 4.41Å; L235-F315 HydrophobicContact CG-CZ 3.67Å
236	R	95.1	Very high	92.7	Very high	22 Å²	22	51.1 Å²	51.1	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-37.7	177.8	-69.6	168.2	-170.5	140.6	6.9	111.9	M232 E233 H238 E239 R240 L291 A293	M232-R236 VanDerWaalsContact O-CG 3.28Å; M232-R236 WeakPolarHBondContact O-CG 3.42Å; M232-R236 PolarHBondContact O-N 3.47Å; E233-R236 PolarHBondContact O-N 2.7Å; E233-R236 VanDerWaalsContact OE1-CD 3.27Å; E233-R236 WeakPolarHBondContact OE1-CD 3.19Å; E233-R236 IonicContact OE1-CZ 3.47Å; E233-R236 IonicContact OE1-NE 2.7Å; E233-R236 IonicContact OE1-NH1 2.7Å; E233-R236 PolarHBondContact OE1-NH1 3.11Å; R236-H238 VanDerWaalsContact C-N 3.32Å; R236-H238 PolarHBondContact O-N 3.22Å; R236-E239 PolarHBondContact O-N 3.06Å; R236-R240 WeakPolarHBondContact O-CG 3.36Å; R236-R240 PolarHBondContact O-N 3.14Å; R236-R240 PolarHBondContact O-NE 3.09Å; R236-L291 PolarHBondContact NH1-O 3.14Å; R236-L291 VanDerWaalsContact NH1-O 3.11Å; R236-L291 PolarHBondContact NH2-O 2.94Å; R236-A293 PolarHBondContact NH2-O 3.27Å
237	L	94.9	Very high	92.7	Very high	60 Å²	60	48.8 Å²	48.8	31%	0.314	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-41.2	175.3	-174.1	67.2	0	0	0	111.5	E233 A234 L235 R240 H243 I249	E233-L237 WeakPolarHBondContact O-CB 3.47Å; E233-L237 PolarHBondContact O-N 3.27Å; A234-L237 WeakPolarHBondContact O-CB 3.38Å; A234-L237 PolarHBondContact O-N 3.42Å; L235-L237 VanDerWaalsContact C-N 3.29Å; L235-L237 PolarHBondContact O-N 2.86Å; L237-R240 PolarHBondContact O-N 3.48Å; L237-H243 HydrophobicContact CD1-CB 3.87Å; L237-H243 HydrophobicContact CG-CB 4.24Å; L237-H243 WeakPolarHBondContact O-CB 3.45Å; L237-I249 HydrophobicContact CB-CD1 4.46Å; L237-I249 HydrophobicContact CD2-CD1 4.11Å; L237-I249 HydrophobicContact CD2-CG1 4.24Å; L237-I249 HydrophobicContact CG-CD1 4.29Å
238	H	94.7	Very high	92.9	Very high	61 Å²	61	51.2 Å²	51.2	28%	0.282	29%	0.291	S	S	.	.	H	α-helix	trans	-70.2	-35.8	176	-178.4	56.7	0	0	0	113.1	A234 L235 R236 R240 G244 I249 F264	A234-H238 PolarHBondContact O-N 3.34Å; L235-H238 WeakPolarHBondContact O-CB 3.38Å; L235-H238 PolarHBondContact O-N 2.92Å; L235-H238 VanDerWaalsContact O-N 3.09Å; R236-H238 VanDerWaalsContact C-N 3.32Å; R236-H238 PolarHBondContact O-N 3.22Å; H238-R240 VanDerWaalsContact C-N 3.28Å; H238-R240 PolarHBondContact O-N 3.39Å; H238-G244 PolarHBondContact ND1-O 3.39Å; H238-I249 HydrophobicContact CB-CD1 3.95Å; H238-F264 HydrophobicContact CB-CE1 4.32Å; H238-F264 HydrophobicContact CB-CE2 4.43Å; H238-F264 HydrophobicContact CB-CZ 3.59Å
239	E	93.5	Very high	93	Very high	73 Å²	73	51.9 Å²	51.9	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-28.6	175	-71.6	171.5	148.2	0	0	112.5	L235 R236 A241 S295 D296 L297	L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.35Å; R236-E239 PolarHBondContact O-N 3.06Å; E239-A241 PolarHBondContact O-N 3.27Å; E239-S295 PolarHBondContact OE1-OG 3.26Å; E239-D296 PolarHBondContact OE1-N 2.96Å; E239-L297 HydrophobicContact CG-CB 4.12Å; E239-L297 HydrophobicContact CG-CD2 4.47Å; E239-L297 WeakPolarHBondContact OE1-CB 3.27Å; E239-L297 PolarHBondContact OE1-N 3.37Å
240	R	92.7	Very high	93.1	Very high	107 Å²	107	51.3 Å²	51.3	40%	0.404	29%	0.29	S	S	.	.	S	Bend	trans	-69.1	113.2	173.9	-71.1	178.9	-91.5	-107.9	1.5	109.8	E233 R236 L237 H238 G242 H243	E233-R240 IonicContact OE2-NH2 3.86Å; E233-R240 PolarHBondContact OE2-NH2 3.49Å; R236-R240 WeakPolarHBondContact O-CG 3.36Å; R236-R240 PolarHBondContact O-N 3.14Å; R236-R240 PolarHBondContact O-NE 3.09Å; L237-R240 PolarHBondContact O-N 3.48Å; H238-R240 VanDerWaalsContact C-N 3.28Å; H238-R240 PolarHBondContact O-N 3.39Å; R240-G242 PolarHBondContact O-N 3.48Å; R240-H243 WeakPolarHBondContact CB-CD2 3.43Å; R240-H243 PolarHBondContact O-N 3.12Å
241	A	77.7	Confident	93.1	Very high	103 Å²	103	52.8 Å²	52.8	85%	0.851	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	121.4	-176.4	0	0	0	0	0	112.6	E239	E239-A241 PolarHBondContact O-N 3.27Å
242	G	71.9	Confident	93.2	Very high	88 Å²	88	55.4 Å²	55.4	91%	0.907	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	4.9	171.6	0	0	0	0	0	116.9	R240	R240-G242 PolarHBondContact O-N 3.48Å
243	H	87.3	Confident	93.3	Very high	125 Å²	125	57.6 Å²	57.6	58%	0.579	33%	0.333	S	S	*	.	S	Bend	trans	-80.2	-42.9	-179.8	-86.3	-78.6	0	0	0	114.8	L237 R240	L237-H243 HydrophobicContact CD1-CB 3.87Å; L237-H243 HydrophobicContact CG-CB 4.24Å; L237-H243 WeakPolarHBondContact O-CB 3.45Å; R240-H243 WeakPolarHBondContact CB-CD2 3.43Å; R240-H243 PolarHBondContact O-N 3.12Å
244	G	90	Very high	93.4	Very high	25 Å²	25	57.2 Å²	57.2	26%	0.258	33%	0.33	S	S	.	.			trans	177.4	147.6	-178.3	0	0	0	0	0	113.3	H238	H238-G244 PolarHBondContact ND1-O 3.39Å
245	S	95.1	Very high	93.4	Very high	39 Å²	39	63.9 Å²	63.9	27%	0.273	36%	0.364	S	S	.	.			trans	-71.7	156.9	170.4	73	0	0	0	0	110.6	E247 D248 I249	S245-E247 PolarHBondContact O-N 3.03Å; S245-D248 PolarHBondContact O-N 3.37Å; S245-D248 WeakPolarHBondContact OG-CB 3.42Å; S245-D248 PolarHBondContact OG-N 3.3Å; S245-D248 PolarHBondContact OG-OD2 3.04Å; S245-I249 VanDerWaalsContact O-CG1 3.29Å; S245-I249 WeakPolarHBondContact O-CG1 3.24Å; S245-I249 PolarHBondContact O-N 3.4Å
246	K	95.6	Very high	93.6	Very high	49 Å²	49	67.1 Å²	67.1	21%	0.213	40%	0.398	C	S	.	.	H	α-helix	trans	-59.2	-36.6	175.2	61.4	-174.7	-174.8	-52.3	0	111.6	I249 D250 F264 F315 Y316	K246-I249 PolarHBondContact O-N 2.84Å; K246-D250 WeakPolarHBondContact O-CB 3.41Å; K246-D250 PolarHBondContact O-N 2.81Å; K246-F264 HydrophobicContact CB-CB 4.44Å; K246-F264 HydrophobicContact CB-CD1 3.99Å; K246-F264 HydrophobicContact CB-CD2 3.65Å; K246-F264 HydrophobicContact CB-CE1 4.12Å; K246-F264 HydrophobicContact CB-CE2 3.81Å; K246-F264 HydrophobicContact CB-CG 3.76Å; K246-F264 HydrophobicContact CB-CZ 4.05Å; K246-F264 WeakPolarHBondContact O-CD2 3.5Å; K246-F315 HydrophobicContact CD-CB 4.37Å; K246-F315 WeakPolarHBondContact CE-O 3.42Å; K246-Y316 HydrophobicContact CD-CE1 4.26Å; K246-Y316 HydrophobicContact CG-CE1 4.29Å; K246-Y316 PolarHBondContact O-OH 3.46Å
247	E	97.2	Very high	93.7	Very high	76 Å²	76	68.5 Å²	68.5	36%	0.355	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-47	175.9	-66.9	76.1	-168.2	0	0	111.8	S245 D250 I251 Y316	S245-E247 PolarHBondContact O-N 3.03Å; E247-D250 PolarHBondContact O-N 3.38Å; E247-I251 VanDerWaalsContact O-CG1 3.27Å; E247-I251 WeakPolarHBondContact O-CG1 3.26Å; E247-I251 PolarHBondContact O-N 3Å; E247-Y316 HydrophobicContact CG-CE1 4.2Å
248	D	97.5	Very high	93.7	Very high	97 Å²	97	68.5 Å²	68.5	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-66.9	-38.8	179.7	-67.1	-40.9	0	0	0	111.6	S245 D250 I251 A252	S245-D248 PolarHBondContact O-N 3.37Å; S245-D248 WeakPolarHBondContact OG-CB 3.42Å; S245-D248 PolarHBondContact OG-N 3.3Å; S245-D248 PolarHBondContact OG-OD2 3.04Å; D248-D250 VanDerWaalsContact C-N 3.35Å; D248-I251 PolarHBondContact O-N 3.08Å; D248-A252 VanDerWaalsContact O-CB 3.24Å; D248-A252 WeakPolarHBondContact O-CB 3.06Å; D248-A252 PolarHBondContact O-N 3.32Å
249	I	97.3	Very high	93.8	Very high	16 Å²	16	70.4 Å²	70.4	8%	0.082	43%	0.434	C	S	.	.	H	α-helix	trans	-63.5	-43.5	175.9	-66.4	164.8	0	0	0	110.1	A234 L237 H238 S245 K246 A252 M253 P263 F264	A234-I249 HydrophobicContact CB-CG2 4.26Å; L237-I249 HydrophobicContact CB-CD1 4.46Å; L237-I249 HydrophobicContact CD2-CD1 4.11Å; L237-I249 HydrophobicContact CD2-CG1 4.24Å; L237-I249 HydrophobicContact CG-CD1 4.29Å; H238-I249 HydrophobicContact CB-CD1 3.95Å; S245-I249 VanDerWaalsContact O-CG1 3.29Å; S245-I249 WeakPolarHBondContact O-CG1 3.24Å; S245-I249 PolarHBondContact O-N 3.4Å; K246-I249 PolarHBondContact O-N 2.84Å; I249-A252 PolarHBondContact O-N 2.99Å; I249-M253 WeakPolarHBondContact O-CG 3.21Å; I249-M253 PolarHBondContact O-N 3.41Å; I249-P263 HydrophobicContact CG2-CG 3.71Å; I249-F264 HydrophobicContact CB-CD2 4.36Å; I249-F264 HydrophobicContact CB-CE2 3.87Å; I249-F264 HydrophobicContact CD1-CE2 3.83Å; I249-F264 HydrophobicContact CD1-CZ 4.28Å; I249-F264 HydrophobicContact CG1-CE2 4.46Å; I249-F264 HydrophobicContact CG2-CD2 4.29Å; I249-F264 HydrophobicContact CG2-CE2 3.79Å
250	D	98	Very high	93.9	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.005	46%	0.456	C	S	.	.	H	α-helix	trans	-62.8	-43.8	175.5	-82.1	-4	0	0	0	112.4	K246 E247 D248 M253 K254 G262 P263 F264 E265 Y316	K246-D250 WeakPolarHBondContact O-CB 3.41Å; K246-D250 PolarHBondContact O-N 2.81Å; E247-D250 PolarHBondContact O-N 3.38Å; D248-D250 VanDerWaalsContact C-N 3.35Å; D250-M253 PolarHBondContact O-N 3.1Å; D250-K254 WeakPolarHBondContact O-CB 3.25Å; D250-K254 VanDerWaalsContact O-CE 3.31Å; D250-K254 WeakPolarHBondContact O-CE 3.31Å; D250-K254 VanDerWaalsContact O-CG 3.28Å; D250-K254 WeakPolarHBondContact O-CG 3.33Å; D250-K254 PolarHBondContact O-N 3.33Å; D250-G262 WeakPolarHBondContact OD1-CA 3.37Å; D250-P263 WeakPolarHBondContact OD1-CD 3.29Å; D250-F264 WeakPolarHBondContact OD1-CD2 3.28Å; D250-F264 PolarHBondContact OD1-N 3.38Å; D250-F264 WeakPolarHBondContact OD2-CB 3.4Å; D250-E265 WeakPolarHBondContact OD2-CG 3.49Å; D250-E265 PolarHBondContact OD2-N 2.7Å; D250-E265 VanDerWaalsContact OD2-N 3.1Å; D250-Y316 VanDerWaalsContact OD2-CE2 3.24Å; D250-Y316 WeakPolarHBondContact OD2-CE2 3.27Å; D250-Y316 PolarHBondContact OD2-OH 3.49Å
251	I	98	Very high	94	Very high	84 Å²	84	70.9 Å²	70.9	43%	0.431	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.2	-70	166.1	0	0	0	110.6	E247 D248 M253 K254 L255	E247-I251 VanDerWaalsContact O-CG1 3.27Å; E247-I251 WeakPolarHBondContact O-CG1 3.26Å; E247-I251 PolarHBondContact O-N 3Å; D248-I251 PolarHBondContact O-N 3.08Å; I251-M253 VanDerWaalsContact C-N 3.33Å; I251-M253 PolarHBondContact O-N 3.36Å; I251-K254 PolarHBondContact O-N 2.92Å; I251-L255 HydrophobicContact CG2-CD1 3.76Å; I251-L255 HydrophobicContact CG2-CG 4.27Å; I251-L255 WeakPolarHBondContact O-CB 3.24Å; I251-L255 PolarHBondContact O-N 2.67Å
252	A	97.8	Very high	95	Very high	56 Å²	56	66 Å²	66	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-42.8	179.6	0	0	0	0	0	111.6	D248 I249 G256	D248-A252 VanDerWaalsContact O-CB 3.24Å; D248-A252 WeakPolarHBondContact O-CB 3.06Å; D248-A252 PolarHBondContact O-N 3.32Å; I249-A252 PolarHBondContact O-N 2.99Å; A252-G256 WeakPolarHBondContact O-CA 3.35Å; A252-G256 PolarHBondContact O-N 2.91Å
253	M	98.1	Very high	96.2	Very high	47 Å²	47	61.8 Å²	61.8	23%	0.232	37%	0.369	C	S	.	.	H	α-helix	trans	-74.7	-32.5	179.4	-64.6	-51.8	-55.7	0	0	112.8	Y230 I249 D250 I251 A257 G258 Y259 P263	Y230-M253 HydrophobicContact CE2-CE 3.76Å; Y230-M253 HydrophobicContact CE2-SD 4.45Å; Y230-M253 WeakPolarHBondContact OH-CG 3.29Å; I249-M253 WeakPolarHBondContact O-CG 3.21Å; I249-M253 PolarHBondContact O-N 3.41Å; D250-M253 PolarHBondContact O-N 3.1Å; I251-M253 VanDerWaalsContact C-N 3.33Å; I251-M253 PolarHBondContact O-N 3.36Å; M253-A257 HydrophobicContact CE-CB 3.53Å; M253-A257 WeakPolarHBondContact O-CB 3.46Å; M253-A257 PolarHBondContact O-N 2.83Å; M253-G258 PolarHBondContact O-N 2.63Å; M253-Y259 HydrophobicContact CB-CD2 4.43Å; M253-Y259 HydrophobicContact CE-CD2 4.13Å; M253-Y259 HydrophobicContact CE-CE2 3.85Å; M253-Y259 PolarHBondContact O-N 2.99Å; M253-P263 HydrophobicContact CG-CG 4.25Å
254	K	97.8	Very high	96.7	Very high	62 Å²	62	55.8 Å²	55.8	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-50.5	173.4	-74.5	-176.5	-72.7	-163.7	0	112.3	D250 I251 G258 Y259 E265	D250-K254 WeakPolarHBondContact O-CB 3.25Å; D250-K254 VanDerWaalsContact O-CE 3.31Å; D250-K254 WeakPolarHBondContact O-CE 3.31Å; D250-K254 VanDerWaalsContact O-CG 3.28Å; D250-K254 WeakPolarHBondContact O-CG 3.33Å; D250-K254 PolarHBondContact O-N 3.33Å; I251-K254 PolarHBondContact O-N 2.92Å; K254-G258 VanDerWaalsContact O-CA 3.23Å; K254-G258 WeakPolarHBondContact O-CA 3.46Å; K254-G258 PolarHBondContact O-N 3.48Å; K254-Y259 WeakPolarHBondContact CA-O 3.48Å; K254-Y259 WeakPolarHBondContact CG-O 3.45Å; K254-E265 IonicContact NZ-OE1 2.97Å; K254-E265 PolarHBondContact NZ-OE1 3.01Å; K254-E265 IonicContact NZ-OE2 3.76Å; K254-E265 PolarHBondContact NZ-OE2 2.82Å
255	L	97.3	Very high	97	Very high	148 Å²	148	57.2 Å²	57.2	78%	0.775	34%	0.341	S	S	*	.	H	α-helix	trans	-85.5	-35	-174	-60.6	-176.5	0	0	0	113.2	I251	I251-L255 HydrophobicContact CG2-CD1 3.76Å; I251-L255 HydrophobicContact CG2-CG 4.27Å; I251-L255 WeakPolarHBondContact O-CB 3.24Å; I251-L255 PolarHBondContact O-N 2.67Å
256	G	97.5	Very high	97.1	Very high	71 Å²	71	56.8 Å²	56.8	73%	0.732	34%	0.336	S	S	*	.	H	α-helix	trans	-86.3	-40	-177.2	0	0	0	0	0	113.8	A252	A252-G256 WeakPolarHBondContact O-CA 3.35Å; A252-G256 PolarHBondContact O-N 2.91Å
257	A	97	Very high	97.1	Very high	50 Å²	50	54.5 Å²	54.5	41%	0.413	33%	0.326	S	S	.	.	S	Bend	trans	-104.2	-2.9	-179.9	0	0	0	0	0	113.7	M253 Y259	M253-A257 HydrophobicContact CE-CB 3.53Å; M253-A257 WeakPolarHBondContact O-CB 3.46Å; M253-A257 PolarHBondContact O-N 2.83Å; A257-Y259 VanDerWaalsContact C-N 3.3Å; A257-Y259 HydrophobicContact CB-CD1 4.24Å; A257-Y259 HydrophobicContact CB-CE1 4.27Å; A257-Y259 PolarHBondContact O-N 3.45Å
258	G	96.9	Very high	97.1	Very high	61 Å²	61	51 Å²	51	63%	0.629	31%	0.309	S	S	*	.			trans	71.4	21.4	177.8	0	0	0	0	0	114.2	M253 K254	M253-G258 PolarHBondContact O-N 2.63Å; K254-G258 VanDerWaalsContact O-CA 3.23Å; K254-G258 WeakPolarHBondContact O-CA 3.46Å; K254-G258 PolarHBondContact O-N 3.48Å
259	Y	96.8	Very high	96.9	Very high	100 Å²	100	51 Å²	51	39%	0.392	30%	0.303	S	S	.	.			trans	-73.2	143	179.5	-72	-0.9	0	0	0	111.3	Y230 M253 K254 A257 M261	Y230-Y259 HydrophobicContact CE1-CD2 4.32Å; Y230-Y259 AromaticContact CE1-CE2 3.87Å; Y230-Y259 HydrophobicContact CE1-CE2 3.87Å; Y230-Y259 HydrophobicContact CE2-CE2 4.2Å; Y230-Y259 AromaticContact CZ-CE2 3.61Å; Y230-Y259 WeakPolarHBondContact OH-CD2 3.49Å; Y230-Y259 WeakPolarHBondContact OH-CE2 3.4Å; M253-Y259 HydrophobicContact CB-CD2 4.43Å; M253-Y259 HydrophobicContact CE-CD2 4.13Å; M253-Y259 HydrophobicContact CE-CE2 3.85Å; M253-Y259 PolarHBondContact O-N 2.99Å; K254-Y259 WeakPolarHBondContact CA-O 3.48Å; K254-Y259 WeakPolarHBondContact CG-O 3.45Å; A257-Y259 VanDerWaalsContact C-N 3.3Å; A257-Y259 HydrophobicContact CB-CD1 4.24Å; A257-Y259 HydrophobicContact CB-CE1 4.27Å; A257-Y259 PolarHBondContact O-N 3.45Å; Y259-M261 WeakPolarHBondContact CB-O 3.36Å; Y259-M261 PolarHBondContact O-N 3.46Å
260	P	94.9	Very high	96.6	Very high	122 Å²	122	53.1 Å²	53.1	79%	0.792	32%	0.316	S	S	*	.	S	Bend	trans	-69.3	-25.4	178.4	27.8	-34.8	0	0	0	112.8
261	M	95.3	Very high	96.4	Very high	68 Å²	68	53.1 Å²	53.1	34%	0.335	32%	0.317	S	S	.	.	S	Bend	trans	-138.3	143.2	176.4	-74.7	-178.9	-105.7	0	0	108.8	Y259 E265 L266 Y269	Y259-M261 WeakPolarHBondContact CB-O 3.36Å; Y259-M261 PolarHBondContact O-N 3.46Å; M261-E265 HydrophobicContact CB-CB 4.17Å; M261-L266 HydrophobicContact CB-CB 4.31Å; M261-Y269 HydrophobicContact SD-CG 4.43Å
262	G	97.4	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.296	C	S	.	.			trans	-68.4	164.1	171.1	0	0	0	0	0	111.9	D250 F264 E265 L266	D250-G262 WeakPolarHBondContact OD1-CA 3.37Å; G262-F264 VanDerWaalsContact C-N 3.3Å; G262-F264 PolarHBondContact O-N 3.47Å; G262-E265 PolarHBondContact N-OE2 2.87Å; G262-E265 PolarHBondContact O-N 2.97Å; G262-L266 WeakPolarHBondContact O-CB 3.33Å; G262-L266 PolarHBondContact O-N 3.18Å
263	P	97.3	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-32.7	-177.8	23.4	-32	0	0	0	114.2	Y230 A234 I249 D250 M253 S267	Y230-P263 HydrophobicContact CE1-CB 3.84Å; Y230-P263 VanDerWaalsContact OH-CD 3.3Å; Y230-P263 WeakPolarHBondContact OH-CD 3.48Å; A234-P263 HydrophobicContact CB-CB 3.49Å; A234-P263 VanDerWaalsContact CB-CB 3.49Å; A234-P263 HydrophobicContact CB-CG 3.47Å; A234-P263 VanDerWaalsContact CB-CG 3.47Å; I249-P263 HydrophobicContact CG2-CG 3.71Å; D250-P263 WeakPolarHBondContact OD1-CD 3.29Å; M253-P263 HydrophobicContact CG-CG 4.25Å; P263-S267 VanDerWaalsContact O-CB 3.29Å; P263-S267 WeakPolarHBondContact O-CB 3.43Å; P263-S267 PolarHBondContact O-N 3.15Å; P263-S267 PolarHBondContact O-OG 2.9Å
264	F	97.5	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-77	-45	177.9	-65.1	-83.7	0	0	0	111.3	A234 L235 H238 K246 I249 D250 G262 L266 S267 D268 F315 Y316	A234-F264 HydrophobicContact CB-CE2 4.33Å; A234-F264 WeakPolarHBondContact O-CZ 3.12Å; L235-F264 HydrophobicContact CD1-CD1 3.99Å; L235-F264 HydrophobicContact CD1-CE1 3.64Å; L235-F264 HydrophobicContact CD1-CZ 4.32Å; L235-F264 HydrophobicContact CG-CE1 4.1Å; H238-F264 HydrophobicContact CB-CE1 4.32Å; H238-F264 HydrophobicContact CB-CE2 4.43Å; H238-F264 HydrophobicContact CB-CZ 3.59Å; K246-F264 HydrophobicContact CB-CB 4.44Å; K246-F264 HydrophobicContact CB-CD1 3.99Å; K246-F264 HydrophobicContact CB-CD2 3.65Å; K246-F264 HydrophobicContact CB-CE1 4.12Å; K246-F264 HydrophobicContact CB-CE2 3.81Å; K246-F264 HydrophobicContact CB-CG 3.76Å; K246-F264 HydrophobicContact CB-CZ 4.05Å; K246-F264 WeakPolarHBondContact O-CD2 3.5Å; I249-F264 HydrophobicContact CB-CD2 4.36Å; I249-F264 HydrophobicContact CB-CE2 3.87Å; I249-F264 HydrophobicContact CD1-CE2 3.83Å; I249-F264 HydrophobicContact CD1-CZ 4.28Å; I249-F264 HydrophobicContact CG1-CE2 4.46Å; I249-F264 HydrophobicContact CG2-CD2 4.29Å; I249-F264 HydrophobicContact CG2-CE2 3.79Å; D250-F264 WeakPolarHBondContact OD1-CD2 3.28Å; D250-F264 PolarHBondContact OD1-N 3.38Å; D250-F264 WeakPolarHBondContact OD2-CB 3.4Å; G262-F264 VanDerWaalsContact C-N 3.3Å; G262-F264 PolarHBondContact O-N 3.47Å; F264-L266 VanDerWaalsContact C-N 3.27Å; F264-L266 PolarHBondContact O-N 2.83Å; F264-S267 PolarHBondContact O-N 3.24Å; F264-D268 PolarHBondContact O-N 3.35Å; F264-F315 HydrophobicContact CB-CB 4.23Å; F264-F315 HydrophobicContact CB-CD2 4.27Å; F264-F315 HydrophobicContact CB-CG 4.28Å; F264-F315 HydrophobicContact CD1-CB 4.32Å; F264-F315 AromaticContact CD1-CD1 3.66Å; F264-F315 HydrophobicContact CD1-CD1 3.66Å; F264-F315 AromaticContact CD1-CD2 3.8Å; F264-F315 HydrophobicContact CD1-CD2 3.8Å; F264-F315 AromaticContact CD1-CE1 3.84Å; F264-F315 HydrophobicContact CD1-CE1 3.84Å; F264-F315 AromaticContact CD1-CE2 3.96Å; F264-F315 HydrophobicContact CD1-CE2 3.96Å; F264-F315 AromaticContact CD1-CG 3.65Å; F264-F315 HydrophobicContact CD1-CG 3.65Å; F264-F315 HydrophobicContact CD1-CZ 4.01Å; F264-F315 HydrophobicContact CE1-CD1 4.13Å; F264-F315 AromaticContact CE1-CE1 3.97Å; F264-F315 HydrophobicContact CE1-CE1 3.97Å; F264-F315 HydrophobicContact CE1-CZ 4.23Å; F264-F315 HydrophobicContact CG-CG 4.45Å; F264-Y316 HydrophobicContact CB-CE2 3.73Å
265	E	96.9	Very high	95.6	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-55.1	-43.8	170.9	-82.8	169.2	178.8	0	0	111.9	D250 K254 M261 G262 Y269 Y316	D250-E265 WeakPolarHBondContact OD2-CG 3.49Å; D250-E265 PolarHBondContact OD2-N 2.7Å; D250-E265 VanDerWaalsContact OD2-N 3.1Å; K254-E265 IonicContact NZ-OE1 2.97Å; K254-E265 PolarHBondContact NZ-OE1 3.01Å; K254-E265 IonicContact NZ-OE2 3.76Å; K254-E265 PolarHBondContact NZ-OE2 2.82Å; M261-E265 HydrophobicContact CB-CB 4.17Å; G262-E265 PolarHBondContact N-OE2 2.87Å; G262-E265 PolarHBondContact O-N 2.97Å; E265-Y269 WeakPolarHBondContact O-CB 3.33Å; E265-Y269 PolarHBondContact O-N 2.88Å; E265-Y316 HydrophobicContact CG-CD2 4.29Å; E265-Y316 HydrophobicContact CG-CE2 3.83Å
266	L	96.1	Very high	95.5	Very high	31 Å²	31	41.4 Å²	41.4	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-39.5	178.1	-176.7	59.6	0	0	0	111.6	L227 M231 M261 G262 F264 D268 Y269 V270	L227-L266 HydrophobicContact CD1-CD2 3.75Å; L227-L266 HydrophobicContact CD2-CD2 4.07Å; L227-L266 HydrophobicContact CG-CD2 4.18Å; M231-L266 HydrophobicContact SD-CB 4.4Å; M231-L266 HydrophobicContact SD-CD2 4.08Å; M231-L266 HydrophobicContact SD-CG 3.95Å; M261-L266 HydrophobicContact CB-CB 4.31Å; G262-L266 WeakPolarHBondContact O-CB 3.33Å; G262-L266 PolarHBondContact O-N 3.18Å; F264-L266 VanDerWaalsContact C-N 3.27Å; F264-L266 PolarHBondContact O-N 2.83Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.2Å; L266-Y269 WeakPolarHBondContact O-CB 3.37Å; L266-Y269 PolarHBondContact O-N 3.41Å; L266-Y269 VanDerWaalsContact O-N 3.15Å; L266-V270 HydrophobicContact CD1-CG2 4.17Å; L266-V270 HydrophobicContact CG-CG2 4.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.28Å; L266-V270 PolarHBondContact O-N 3.23Å
267	S	96.6	Very high	95.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-44.3	176.6	-64.2	0	0	0	0	111.4	P263 F264 Y269 V270 G271	P263-S267 VanDerWaalsContact O-CB 3.29Å; P263-S267 WeakPolarHBondContact O-CB 3.43Å; P263-S267 PolarHBondContact O-N 3.15Å; P263-S267 PolarHBondContact O-OG 2.9Å; F264-S267 PolarHBondContact O-N 3.24Å; S267-Y269 VanDerWaalsContact C-N 3.31Å; S267-Y269 PolarHBondContact O-N 3.26Å; S267-V270 PolarHBondContact O-N 3.04Å; S267-G271 CarbonylContact O-C 3.59Å; S267-G271 PolarHBondContact O-N 3.18Å
268	D	96.6	Very high	94.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-31.2	175.2	-82.2	-3.2	0	0	0	112.7	F264 L266 K309 G314 F315 Y316 Y318	F264-D268 PolarHBondContact O-N 3.35Å; L266-D268 VanDerWaalsContact C-N 3.33Å; L266-D268 PolarHBondContact O-N 3.2Å; D268-K309 WeakPolarHBondContact O-CB 3.43Å; D268-K309 PolarHBondContact O-N 3.48Å; D268-G314 WeakPolarHBondContact OD1-CA 3.49Å; D268-F315 VanDerWaalsContact CG-N 3.33Å; D268-F315 WeakPolarHBondContact OD1-CD2 3.42Å; D268-F315 PolarHBondContact OD1-N 2.72Å; D268-F315 PolarHBondContact OD2-N 3.19Å; D268-Y316 PolarHBondContact OD2-N 2.9Å; D268-Y318 HydrophobicContact CB-CE2 3.84Å; D268-Y318 WeakPolarHBondContact CB-OH 2.9Å; D268-Y318 WeakPolarHBondContact OD2-CE2 3.5Å; D268-Y318 PolarHBondContact OD2-OH 2.92Å
269	Y	93.5	Very high	94.8	Very high	98 Å²	98	38.9 Å²	38.9	38%	0.384	20%	0.195	S	C	.	.	H	α-helix	trans	-69.8	-44.5	175.9	-176.5	-93.1	0	0	0	112.4	M261 E265 L266 S267 K309	M261-Y269 HydrophobicContact SD-CG 4.43Å; E265-Y269 WeakPolarHBondContact O-CB 3.33Å; E265-Y269 PolarHBondContact O-N 2.88Å; L266-Y269 WeakPolarHBondContact O-CB 3.37Å; L266-Y269 PolarHBondContact O-N 3.41Å; L266-Y269 VanDerWaalsContact O-N 3.15Å; S267-Y269 VanDerWaalsContact C-N 3.31Å; S267-Y269 PolarHBondContact O-N 3.26Å; Y269-K309 HydrophobicContact CD2-CD 4.3Å
270	V	91.5	Very high	94.5	Very high	60 Å²	60	36.3 Å²	36.3	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-71	-38.9	178.2	172.1	0	0	0	0	111.3	L266 S267 T274 I275	L266-V270 HydrophobicContact CD1-CG2 4.17Å; L266-V270 HydrophobicContact CG-CG2 4.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.28Å; L266-V270 PolarHBondContact O-N 3.23Å; S267-V270 PolarHBondContact O-N 3.04Å; V270-T274 HydrophobicContact CG1-CG2 4.32Å; V270-T274 PolarHBondContact O-OG1 3.16Å; V270-I275 HydrophobicContact CB-CD1 4.44Å; V270-I275 HydrophobicContact CG1-CD1 4.47Å; V270-I275 HydrophobicContact CG1-CG1 4.12Å
271	G	93.7	Very high	94.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	16%	0.163	C	C	.	.			trans	109.3	128	-177.7	0	0	0	0	0	112	S267 T274 I275 L307	S267-G271 CarbonylContact O-C 3.59Å; S267-G271 PolarHBondContact O-N 3.18Å; G271-T274 WeakPolarHBondContact O-CB 3.34Å; G271-T274 PolarHBondContact O-N 3.5Å; G271-I275 PolarHBondContact O-N 3.36Å; G271-I275 VanDerWaalsContact O-N 3.11Å; G271-L307 WeakPolarHBondContact CA-O 3.4Å
272	L	96.4	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-35.8	-173.1	-58.9	-166.7	0	0	0	113	T274 I275 K276 L298 L301 V302 K306 L307 F315	L272-T274 VanDerWaalsContact C-N 3.35Å; L272-I275 PolarHBondContact O-N 2.82Å; L272-K276 VanDerWaalsContact O-CB 3.31Å; L272-K276 WeakPolarHBondContact O-CB 3.29Å; L272-K276 PolarHBondContact O-N 3.35Å; L272-L298 HydrophobicContact CB-CD1 3.8Å; L272-L298 HydrophobicContact CD2-CD1 4.26Å; L272-L298 HydrophobicContact CG-CD1 4.41Å; L272-L301 HydrophobicContact CD1-CB 3.91Å; L272-L301 HydrophobicContact CD1-CD1 3.7Å; L272-L301 HydrophobicContact CD1-CG 4.43Å; L272-V302 HydrophobicContact CB-CG2 3.89Å; L272-K306 WeakPolarHBondContact CD1-O 3.47Å; L272-L307 PolarHBondContact N-O 3.05Å; L272-F315 HydrophobicContact CD1-CD2 4.11Å; L272-F315 HydrophobicContact CD1-CE2 3.97Å; L272-F315 HydrophobicContact CD1-CZ 4.41Å; L272-F315 HydrophobicContact CD2-CD2 3.79Å; L272-F315 HydrophobicContact CD2-CE2 3.41Å; L272-F315 VanDerWaalsContact CD2-CE2 3.41Å; L272-F315 HydrophobicContact CD2-CZ 4.36Å; L272-F315 HydrophobicContact CG-CE2 4.38Å
273	D	94	Very high	93.9	Very high	50 Å²	50	34.4 Å²	34.4	27%	0.267	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-39.4	170.6	55.5	-29.6	0	0	0	112.4	K276 F277 V302 L307 K310	D273-K276 PolarHBondContact O-N 3.38Å; D273-F277 VanDerWaalsContact O-CB 3.25Å; D273-F277 WeakPolarHBondContact O-CB 3.42Å; D273-F277 PolarHBondContact O-N 2.95Å; D273-V302 HydrophobicContact CB-CG1 4.29Å; D273-L307 HydrophobicContact CB-CD2 3.94Å; D273-K310 WeakPolarHBondContact OD1-CE 3.48Å; D273-K310 IonicContact OD1-NZ 2.66Å; D273-K310 PolarHBondContact OD1-NZ 3.09Å; D273-K310 WeakPolarHBondContact OD2-CE 3.43Å; D273-K310 IonicContact OD2-NZ 2.64Å; D273-K310 PolarHBondContact OD2-NZ 3.44Å
274	T	91.1	Very high	93.6	Very high	54 Å²	54	42.2 Å²	42.2	33%	0.331	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-48	176.7	-49.2	0	0	0	0	110.7	V270 G271 L272 F277 I278	V270-T274 HydrophobicContact CG1-CG2 4.32Å; V270-T274 PolarHBondContact O-OG1 3.16Å; G271-T274 WeakPolarHBondContact O-CB 3.34Å; G271-T274 PolarHBondContact O-N 3.5Å; L272-T274 VanDerWaalsContact C-N 3.35Å; T274-F277 PolarHBondContact O-N 3.31Å; T274-I278 HydrophobicContact CG2-CD1 4.13Å; T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.9Å; T274-I278 VanDerWaalsContact O-N 3.09Å
275	I	93.8	Very high	93.1	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-49.4	178.1	-68.1	170.4	0	0	0	109.9	V228 M231 M232 V270 G271 L272 F277 I278 T279 L298	V228-I275 HydrophobicContact CG1-CG2 4.38Å; M231-I275 HydrophobicContact CE-CD1 3.67Å; M231-I275 HydrophobicContact CE-CG1 3.96Å; M231-I275 HydrophobicContact SD-CD1 3.91Å; M232-I275 HydrophobicContact SD-CG2 4.14Å; V270-I275 HydrophobicContact CB-CD1 4.44Å; V270-I275 HydrophobicContact CG1-CD1 4.47Å; V270-I275 HydrophobicContact CG1-CG1 4.12Å; G271-I275 PolarHBondContact O-N 3.36Å; G271-I275 VanDerWaalsContact O-N 3.11Å; L272-I275 PolarHBondContact O-N 2.82Å; I275-F277 PolarHBondContact O-N 3.03Å; I275-I278 PolarHBondContact O-N 3.36Å; I275-T279 HydrophobicContact CG2-CG2 4.47Å; I275-T279 WeakPolarHBondContact O-CG2 3.25Å; I275-T279 PolarHBondContact O-N 3.1Å; I275-T279 PolarHBondContact O-OG1 3.46Å; I275-T279 VanDerWaalsContact O-OG1 3.1Å; I275-L298 HydrophobicContact CG2-CD2 4.08Å
276	K	94.5	Very high	92.8	Very high	45 Å²	45	48.7 Å²	48.7	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-48.3	178.1	176.6	168.7	168.4	50.8	0	112	L272 D273 I278 T279 D280 L298 N299 V302	L272-K276 VanDerWaalsContact O-CB 3.31Å; L272-K276 WeakPolarHBondContact O-CB 3.29Å; L272-K276 PolarHBondContact O-N 3.35Å; D273-K276 PolarHBondContact O-N 3.38Å; K276-I278 VanDerWaalsContact C-N 3.32Å; K276-I278 PolarHBondContact O-N 3.1Å; K276-T279 WeakPolarHBondContact CA-OG1 3.39Å; K276-T279 PolarHBondContact O-N 2.84Å; K276-T279 PolarHBondContact O-OG1 3.44Å; K276-D280 WeakPolarHBondContact CE-OD2 3.5Å; K276-D280 WeakPolarHBondContact CG-OD2 3.33Å; K276-D280 IonicContact NZ-OD1 3.32Å; K276-D280 PolarHBondContact NZ-OD1 3.11Å; K276-D280 IonicContact NZ-OD2 2.63Å; K276-D280 PolarHBondContact NZ-OD2 2.85Å; K276-D280 WeakPolarHBondContact O-CB 3.49Å; K276-D280 PolarHBondContact O-N 3.47Å; K276-L298 HydrophobicContact CB-CD2 3.94Å; K276-L298 HydrophobicContact CB-CG 4.17Å; K276-N299 VanDerWaalsContact CE-OD1 3.27Å; K276-N299 WeakPolarHBondContact CE-OD1 3.44Å; K276-N299 PolarHBondContact NZ-OD1 2.63Å; K276-V302 HydrophobicContact CB-CG2 4.27Å; K276-V302 HydrophobicContact CD-CB 4.05Å; K276-V302 HydrophobicContact CD-CG1 4.06Å; K276-V302 HydrophobicContact CD-CG2 4.08Å
277	F	91.8	Very high	92.5	Very high	112 Å²	112	51.1 Å²	51.1	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-43.8	-180	179.1	-97.1	0	0	0	111.9	E126 D273 T274 I275 G281	E126-F277 HydrophobicContact CB-CE1 4.26Å; E126-F277 HydrophobicContact CG-CE1 4.08Å; D273-F277 VanDerWaalsContact O-CB 3.25Å; D273-F277 WeakPolarHBondContact O-CB 3.42Å; D273-F277 PolarHBondContact O-N 2.95Å; T274-F277 PolarHBondContact O-N 3.31Å; I275-F277 PolarHBondContact O-N 3.03Å; F277-G281 PolarHBondContact O-N 2.67Å; F277-G281 VanDerWaalsContact O-N 3.1Å
278	I	91	Very high	92.4	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-48.4	177.4	-67.6	167.8	0	0	0	110.7	V228 T274 I275 K276 G281 W282	V228-I278 HydrophobicContact CG1-CG2 4.33Å; V228-I278 HydrophobicContact CG2-CG2 4.4Å; T274-I278 HydrophobicContact CG2-CD1 4.13Å; T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.9Å; T274-I278 VanDerWaalsContact O-N 3.09Å; I275-I278 PolarHBondContact O-N 3.36Å; K276-I278 VanDerWaalsContact C-N 3.32Å; K276-I278 PolarHBondContact O-N 3.1Å; I278-G281 PolarHBondContact O-N 2.95Å; I278-W282 HydrophobicContact CG2-CD2 3.9Å; I278-W282 VanDerWaalsContact CG2-CE2 3.42Å; I278-W282 HydrophobicContact CG2-CE3 4.18Å; I278-W282 HydrophobicContact CG2-CH2 3.66Å; I278-W282 HydrophobicContact CG2-CZ2 3.29Å; I278-W282 HydrophobicContact CG2-CZ3 4.09Å; I278-W282 PolarHBondContact O-N 3.03Å
279	T	93.5	Very high	92.2	Very high	5 Å²	5	60 Å²	60	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-38.4	-177.4	51.9	0	0	0	0	112.8	V228 M232 I275 K276 W282 R283	V228-T279 HydrophobicContact CG1-CG2 3.4Å; M232-T279 HydrophobicContact CE-CG2 4.47Å; M232-T279 HydrophobicContact CG-CG2 3.69Å; M232-T279 HydrophobicContact SD-CG2 3.95Å; I275-T279 HydrophobicContact CG2-CG2 4.47Å; I275-T279 WeakPolarHBondContact O-CG2 3.25Å; I275-T279 PolarHBondContact O-N 3.1Å; I275-T279 PolarHBondContact O-OG1 3.46Å; I275-T279 VanDerWaalsContact O-OG1 3.1Å; K276-T279 WeakPolarHBondContact CA-OG1 3.39Å; K276-T279 PolarHBondContact O-N 2.84Å; K276-T279 PolarHBondContact O-OG1 3.44Å; T279-W282 PolarHBondContact O-N 3.25Å; T279-R283 WeakPolarHBondContact O-CB 3.08Å; T279-R283 PolarHBondContact O-N 2.93Å
280	D	92.3	Very high	92.2	Very high	47 Å²	47	60.1 Å²	60.1	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176	-71.8	-16	0	0	0	110.2	K276 W282 R283 E284	K276-D280 WeakPolarHBondContact CE-OD2 3.5Å; K276-D280 WeakPolarHBondContact CG-OD2 3.33Å; K276-D280 IonicContact NZ-OD1 3.32Å; K276-D280 PolarHBondContact NZ-OD1 3.11Å; K276-D280 IonicContact NZ-OD2 2.63Å; K276-D280 PolarHBondContact NZ-OD2 2.85Å; K276-D280 WeakPolarHBondContact O-CB 3.49Å; K276-D280 PolarHBondContact O-N 3.47Å; D280-W282 VanDerWaalsContact C-N 3.31Å; D280-W282 PolarHBondContact O-N 3.34Å; D280-R283 PolarHBondContact O-N 3.21Å; D280-R283 VanDerWaalsContact O-N 3.16Å; D280-E284 WeakPolarHBondContact O-CG 3.43Å; D280-E284 PolarHBondContact O-N 3.19Å
281	G	89.9	Confident	92.3	Very high	25 Å²	25	60.7 Å²	60.7	26%	0.258	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-33.6	176.9	0	0	0	0	0	113.6	F277 I278	F277-G281 PolarHBondContact O-N 2.67Å; F277-G281 VanDerWaalsContact O-N 3.1Å; I278-G281 PolarHBondContact O-N 2.95Å
282	W	91.6	Very high	92.2	Very high	6 Å²	6	60.8 Å²	60.8	2%	0.023	31%	0.312	C	S	.	.	H	α-helix	trans	-71.8	-40.4	172.5	-66.5	-10.5	0	0	0	112.3	N224 V228 P229 I278 T279 D280 E284 K285 E286 F292	N224-W282 WeakPolarHBondContact O-CH2 3.07Å; V228-W282 HydrophobicContact CB-CH2 3.79Å; V228-W282 HydrophobicContact CB-CZ3 3.78Å; V228-W282 HydrophobicContact CG1-CH2 4.12Å; V228-W282 HydrophobicContact CG1-CZ3 3.72Å; V228-W282 HydrophobicContact CG2-CH2 4.26Å; P229-W282 HydrophobicContact CG-CZ3 3.96Å; I278-W282 HydrophobicContact CG2-CD2 3.9Å; I278-W282 VanDerWaalsContact CG2-CE2 3.42Å; I278-W282 HydrophobicContact CG2-CE3 4.18Å; I278-W282 HydrophobicContact CG2-CH2 3.66Å; I278-W282 HydrophobicContact CG2-CZ2 3.29Å; I278-W282 HydrophobicContact CG2-CZ3 4.09Å; I278-W282 PolarHBondContact O-N 3.03Å; T279-W282 PolarHBondContact O-N 3.25Å; D280-W282 VanDerWaalsContact C-N 3.31Å; D280-W282 PolarHBondContact O-N 3.34Å; W282-E284 VanDerWaalsContact C-N 3.34Å; W282-E284 PolarHBondContact O-N 3.43Å; W282-K285 PolarHBondContact O-N 2.64Å; W282-E286 PolarHBondContact O-N 3.23Å; W282-F292 HydrophobicContact CB-CD1 4.21Å; W282-F292 HydrophobicContact CB-CD2 3.86Å; W282-F292 HydrophobicContact CB-CE1 4.3Å; W282-F292 HydrophobicContact CB-CE2 3.93Å; W282-F292 HydrophobicContact CB-CG 3.98Å; W282-F292 HydrophobicContact CB-CZ 4.12Å; W282-F292 HydrophobicContact CD2-CE1 4.09Å; W282-F292 HydrophobicContact CD2-CZ 4.23Å; W282-F292 AromaticContact CE3-CD1 3.71Å; W282-F292 HydrophobicContact CE3-CD1 3.71Å; W282-F292 AromaticContact CE3-CE1 3.3Å; W282-F292 HydrophobicContact CE3-CE1 3.3Å; W282-F292 AromaticContact CE3-CZ 3.88Å; W282-F292 HydrophobicContact CE3-CZ 3.88Å; W282-F292 HydrophobicContact CG-CZ 4.38Å; W282-F292 AromaticContact CZ3-CE1 3.93Å; W282-F292 HydrophobicContact CZ3-CE1 3.93Å
283	R	92.4	Very high	92	Very high	118 Å²	118	62.5 Å²	62.5	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-37.5	176.7	-177.1	176.8	177.8	-106.9	-1.8	112.4	T279 D280 K285 E286 P287 F292	T279-R283 WeakPolarHBondContact O-CB 3.08Å; T279-R283 PolarHBondContact O-N 2.93Å; D280-R283 PolarHBondContact O-N 3.21Å; D280-R283 VanDerWaalsContact O-N 3.16Å; R283-K285 PolarHBondContact O-N 2.66Å; R283-E286 CarbonylContact O-C 3.17Å; R283-E286 VanDerWaalsContact O-C 3.29Å; R283-E286 PolarHBondContact O-N 3Å; R283-P287 WeakPolarHBondContact O-CA 3.38Å; R283-F292 HydrophobicContact CB-CB 4.2Å
284	E	90.5	Very high	91.9	Very high	165 Å²	165	62.7 Å²	62.7	77%	0.771	33%	0.331	S	S	*	.	H	α-helix	trans	-60.1	-35.2	174.9	-76.2	176.7	-177	0	0	112.1	D280 W282	D280-E284 WeakPolarHBondContact O-CG 3.43Å; D280-E284 PolarHBondContact O-N 3.19Å; W282-E284 VanDerWaalsContact C-N 3.34Å; W282-E284 PolarHBondContact O-N 3.43Å
285	K	87.1	Confident	92.1	Very high	117 Å²	117	60.2 Å²	60.2	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-85	-33.8	178.9	-66.7	-177.1	179	-173.5	0	113.4	W282 R283	W282-K285 PolarHBondContact O-N 2.64Å; R283-K285 PolarHBondContact O-N 2.66Å
286	E	90.3	Very high	92.1	Very high	73 Å²	73	66.1 Å²	66.1	34%	0.341	35%	0.347	S	S	.	.			trans	-128.6	70.4	-178.4	-67	-179.4	-135.3	0	0	110.3	W282 R283 D288 N289 F292	W282-E286 PolarHBondContact O-N 3.23Å; R283-E286 CarbonylContact O-C 3.17Å; R283-E286 VanDerWaalsContact O-C 3.29Å; R283-E286 PolarHBondContact O-N 3Å; E286-D288 VanDerWaalsContact C-N 3.26Å; E286-D288 PolarHBondContact O-N 2.83Å; E286-N289 HydrophobicContact CB-CB 3.93Å; E286-N289 WeakPolarHBondContact O-CB 3.36Å; E286-N289 PolarHBondContact O-N 2.88Å; E286-N289 PolarHBondContact OE2-ND2 3.15Å; E286-F292 HydrophobicContact CB-CD2 3.95Å; E286-F292 HydrophobicContact CB-CE2 4.03Å; E286-F292 HydrophobicContact CG-CE2 4.37Å; E286-F292 WeakPolarHBondContact OE2-CE2 3.39Å
287	P	91.2	Very high	92.1	Very high	81 Å²	81	66.2 Å²	66.2	53%	0.526	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.9	-170.9	24.9	-35	0	0	0	113.8	R283 N289	R283-P287 WeakPolarHBondContact O-CA 3.38Å; P287-N289 VanDerWaalsContact C-N 3.34Å
288	D	93.4	Very high	92.3	Very high	155 Å²	155	61 Å²	61	83%	0.829	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.8	-178.1	-58.1	-44.3	0	0	0	113	E286 P290	E286-D288 VanDerWaalsContact C-N 3.26Å; E286-D288 PolarHBondContact O-N 2.83Å; D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.34Å
289	N	93.1	Very high	92.6	Very high	35 Å²	35	62.7 Å²	62.7	19%	0.187	34%	0.336	C	S	.	.			trans	-80.3	112.7	-178.7	-169.6	-24.1	0	0	0	110.7	E286 P287 L291 F292	E286-N289 HydrophobicContact CB-CB 3.93Å; E286-N289 WeakPolarHBondContact O-CB 3.36Å; E286-N289 PolarHBondContact O-N 2.88Å; E286-N289 PolarHBondContact OE2-ND2 3.15Å; P287-N289 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 3.1Å; N289-L291 VanDerWaalsContact O-N 3.15Å; N289-L291 WeakPolarHBondContact OD1-CB 3.49Å; N289-L291 PolarHBondContact OD1-N 3.15Å; N289-L291 VanDerWaalsContact OD1-N 3.11Å; N289-F292 HydrophobicContact CB-CD2 3.69Å; N289-F292 HydrophobicContact CB-CE2 4.17Å; N289-F292 HydrophobicContact CB-CG 4.39Å; N289-F292 WeakPolarHBondContact ND2-CE2 3.21Å; N289-F292 PolarHBondContact O-N 3.03Å
290	P	93.1	Very high	92.7	Very high	99 Å²	99	68.5 Å²	68.5	64%	0.643	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.2	-175.3	27.2	-35.5	0	0	0	112.8	D288 F292 A293	D288-P290 VanDerWaalsContact O-CD 3.29Å; D288-P290 WeakPolarHBondContact O-CD 3.34Å; P290-F292 PolarHBondContact O-N 3.27Å; P290-A293 WeakPolarHBondContact O-CB 3.27Å; P290-A293 PolarHBondContact O-N 3.48Å
291	L	93.1	Very high	93	Very high	73 Å²	73	67 Å²	67	38%	0.382	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-65.2	-21.2	177.4	-61.2	179.1	0	0	0	112.3	R236 N289	R236-L291 PolarHBondContact NH1-O 3.14Å; R236-L291 VanDerWaalsContact NH1-O 3.11Å; R236-L291 PolarHBondContact NH2-O 2.94Å; N289-L291 PolarHBondContact O-N 3.1Å; N289-L291 VanDerWaalsContact O-N 3.15Å; N289-L291 WeakPolarHBondContact OD1-CB 3.49Å; N289-L291 PolarHBondContact OD1-N 3.15Å; N289-L291 VanDerWaalsContact OD1-N 3.11Å
292	F	93.1	Very high	93.3	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.009	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-105.5	12.5	-179.9	-51.5	-34	0	0	0	113	R225 P229 W282 R283 E286 N289 P290	R225-F292 VanDerWaalsContact CZ-CZ 3.42Å; R225-F292 VanDerWaalsContact NH2-CZ 3.3Å; P229-F292 HydrophobicContact CG-CE1 4.3Å; W282-F292 HydrophobicContact CB-CD1 4.21Å; W282-F292 HydrophobicContact CB-CD2 3.86Å; W282-F292 HydrophobicContact CB-CE1 4.3Å; W282-F292 HydrophobicContact CB-CE2 3.93Å; W282-F292 HydrophobicContact CB-CG 3.98Å; W282-F292 HydrophobicContact CB-CZ 4.12Å; W282-F292 HydrophobicContact CD2-CE1 4.09Å; W282-F292 HydrophobicContact CD2-CZ 4.23Å; W282-F292 AromaticContact CE3-CD1 3.71Å; W282-F292 HydrophobicContact CE3-CD1 3.71Å; W282-F292 AromaticContact CE3-CE1 3.3Å; W282-F292 HydrophobicContact CE3-CE1 3.3Å; W282-F292 AromaticContact CE3-CZ 3.88Å; W282-F292 HydrophobicContact CE3-CZ 3.88Å; W282-F292 HydrophobicContact CG-CZ 4.38Å; W282-F292 AromaticContact CZ3-CE1 3.93Å; W282-F292 HydrophobicContact CZ3-CE1 3.93Å; R283-F292 HydrophobicContact CB-CB 4.2Å; E286-F292 HydrophobicContact CB-CD2 3.95Å; E286-F292 HydrophobicContact CB-CE2 4.03Å; E286-F292 HydrophobicContact CG-CE2 4.37Å; E286-F292 WeakPolarHBondContact OE2-CE2 3.39Å; N289-F292 HydrophobicContact CB-CD2 3.69Å; N289-F292 HydrophobicContact CB-CE2 4.17Å; N289-F292 HydrophobicContact CB-CG 4.39Å; N289-F292 WeakPolarHBondContact ND2-CE2 3.21Å; N289-F292 PolarHBondContact O-N 3.03Å; P290-F292 PolarHBondContact O-N 3.27Å
293	A	91.9	Very high	93.5	Very high	37 Å²	37	71.4 Å²	71.4	31%	0.306	39%	0.385	S	S	.	.			trans	-56.4	139.4	172.7	0	0	0	0	0	111	R236 P290	R236-A293 PolarHBondContact NH2-O 3.27Å; P290-A293 WeakPolarHBondContact O-CB 3.27Å; P290-A293 PolarHBondContact O-N 3.48Å
294	P	92	Very high	93.8	Very high	54 Å²	54	70.1 Å²	70.1	35%	0.351	38%	0.384	S	S	.	.			trans	-65.1	158	179.3	29.5	-34.6	0	0	0	111.1
295	S	94.5	Very high	94	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	37%	0.368	C	S	.	.			trans	-110.9	126.9	168.8	159.2	0	0	0	0	109	E239 L297 L298 N299	E239-S295 PolarHBondContact OE1-OG 3.26Å; S295-L297 VanDerWaalsContact C-N 3.29Å; S295-L297 PolarHBondContact O-N 3.3Å; S295-L297 PolarHBondContact OG-N 2.97Å; S295-L298 PolarHBondContact O-N 3.18Å; S295-L298 PolarHBondContact OG-N 3.21Å; S295-L298 VanDerWaalsContact OG-N 3.15Å; S295-N299 WeakPolarHBondContact O-CB 3.37Å; S295-N299 VanDerWaalsContact O-CG 3.25Å; S295-N299 PolarHBondContact O-N 3.18Å; S295-N299 PolarHBondContact O-ND2 3.46Å
296	D	94.1	Very high	94.5	Very high	128 Å²	128	61.2 Å²	61.2	68%	0.684	35%	0.354	S	S	*	.	H	α-helix	trans	-66.7	-36.3	178.8	-72.2	-25.2	0	0	0	111	E239 N299 K300	E239-D296 PolarHBondContact OE1-N 2.96Å; D296-N299 PolarHBondContact O-N 3.27Å; D296-K300 WeakPolarHBondContact O-CB 3.37Å; D296-K300 PolarHBondContact O-N 2.65Å
297	L	94.2	Very high	94.8	Very high	46 Å²	46	59.6 Å²	59.6	24%	0.241	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-47.2	174.4	179.6	59.4	0	0	0	111.7	E239 S295 K300 L301 F315	E239-L297 HydrophobicContact CG-CB 4.12Å; E239-L297 HydrophobicContact CG-CD2 4.47Å; E239-L297 WeakPolarHBondContact OE1-CB 3.27Å; E239-L297 PolarHBondContact OE1-N 3.37Å; S295-L297 VanDerWaalsContact C-N 3.29Å; S295-L297 PolarHBondContact O-N 3.3Å; S295-L297 PolarHBondContact OG-N 2.97Å; L297-K300 PolarHBondContact O-N 3.15Å; L297-L301 HydrophobicContact CD1-CD1 4.29Å; L297-L301 HydrophobicContact CD1-CG 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.39Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.44Å; L297-F315 HydrophobicContact CD2-CD1 4.45Å; L297-F315 HydrophobicContact CD2-CE1 3.67Å; L297-F315 HydrophobicContact CG-CE1 3.89Å
298	L	96.4	Very high	95	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-46.7	177.9	-177	61.6	0	0	0	111.4	M232 L235 L272 I275 K276 S295 K300 L301 V302	M232-L298 HydrophobicContact CE-CD2 4.32Å; M232-L298 HydrophobicContact SD-CD2 3.82Å; L235-L298 HydrophobicContact CD2-CB 3.9Å; L235-L298 HydrophobicContact CD2-CD1 4.38Å; L235-L298 HydrophobicContact CD2-CD2 4.38Å; L235-L298 HydrophobicContact CD2-CG 4.45Å; L272-L298 HydrophobicContact CB-CD1 3.8Å; L272-L298 HydrophobicContact CD2-CD1 4.26Å; L272-L298 HydrophobicContact CG-CD1 4.41Å; I275-L298 HydrophobicContact CG2-CD2 4.08Å; K276-L298 HydrophobicContact CB-CD2 3.94Å; K276-L298 HydrophobicContact CB-CG 4.17Å; S295-L298 PolarHBondContact O-N 3.18Å; S295-L298 PolarHBondContact OG-N 3.21Å; S295-L298 VanDerWaalsContact OG-N 3.15Å; L298-K300 VanDerWaalsContact C-N 3.3Å; L298-K300 PolarHBondContact O-N 3.35Å; L298-L301 PolarHBondContact O-N 3.5Å; L298-V302 HydrophobicContact CD1-CG2 4.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.4Å; L298-V302 PolarHBondContact O-N 3.01Å
299	N	96.4	Very high	95	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-58.2	-43.8	178.5	-73.5	-25.5	0	0	0	111.6	K276 S295 D296 A303	K276-N299 VanDerWaalsContact CE-OD1 3.27Å; K276-N299 WeakPolarHBondContact CE-OD1 3.44Å; K276-N299 PolarHBondContact NZ-OD1 2.63Å; S295-N299 WeakPolarHBondContact O-CB 3.37Å; S295-N299 VanDerWaalsContact O-CG 3.25Å; S295-N299 PolarHBondContact O-N 3.18Å; S295-N299 PolarHBondContact O-ND2 3.46Å; D296-N299 PolarHBondContact O-N 3.27Å; N299-A303 VanDerWaalsContact O-CB 3.28Å; N299-A303 WeakPolarHBondContact O-CB 3.48Å; N299-A303 PolarHBondContact O-N 2.75Å
300	K	97.1	Very high	94.9	Very high	126 Å²	126	57.9 Å²	57.9	55%	0.548	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-49.8	178	-179.4	179.1	175.3	-179.4	0	112.1	D296 L297 L298 V302 A303 E304	D296-K300 WeakPolarHBondContact O-CB 3.37Å; D296-K300 PolarHBondContact O-N 2.65Å; L297-K300 PolarHBondContact O-N 3.15Å; L298-K300 VanDerWaalsContact C-N 3.3Å; L298-K300 PolarHBondContact O-N 3.35Å; K300-V302 VanDerWaalsContact C-N 3.34Å; K300-V302 PolarHBondContact O-N 3Å; K300-A303 PolarHBondContact O-N 3.06Å; K300-E304 WeakPolarHBondContact CE-OE1 3.37Å; K300-E304 WeakPolarHBondContact CG-OE1 3.46Å; K300-E304 WeakPolarHBondContact O-CG 3.18Å; K300-E304 PolarHBondContact O-N 3.39Å
301	L	96.8	Very high	95	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-43	-179	-71	173.6	0	0	0	111.8	L272 L297 L298 E304 G305 K306 F315	L272-L301 HydrophobicContact CD1-CB 3.91Å; L272-L301 HydrophobicContact CD1-CD1 3.7Å; L272-L301 HydrophobicContact CD1-CG 4.43Å; L297-L301 HydrophobicContact CD1-CD1 4.29Å; L297-L301 HydrophobicContact CD1-CG 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.39Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 3.44Å; L298-L301 PolarHBondContact O-N 3.5Å; L301-E304 PolarHBondContact O-N 3.44Å; L301-G305 PolarHBondContact O-N 3.34Å; L301-K306 HydrophobicContact CB-CB 4.35Å; L301-K306 HydrophobicContact CD2-CB 4.17Å; L301-K306 HydrophobicContact CD2-CD 3.74Å; L301-K306 WeakPolarHBondContact O-CB 3.14Å; L301-K306 PolarHBondContact O-N 3.32Å; L301-F315 HydrophobicContact CD1-CD1 3.63Å; L301-F315 HydrophobicContact CD1-CE1 3.46Å; L301-F315 VanDerWaalsContact CD1-CE1 3.46Å; L301-F315 HydrophobicContact CD1-CG 4.25Å; L301-F315 HydrophobicContact CD1-CZ 3.95Å
302	V	97.3	Very high	95	Very high	32 Å²	32	54.8 Å²	54.8	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-41.9	177.1	175.9	0	0	0	0	111.3	L272 D273 K276 L298 K300 E304 G305 L307	L272-V302 HydrophobicContact CB-CG2 3.89Å; D273-V302 HydrophobicContact CB-CG1 4.29Å; K276-V302 HydrophobicContact CB-CG2 4.27Å; K276-V302 HydrophobicContact CD-CB 4.05Å; K276-V302 HydrophobicContact CD-CG1 4.06Å; K276-V302 HydrophobicContact CD-CG2 4.08Å; L298-V302 HydrophobicContact CD1-CG2 4.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.4Å; L298-V302 PolarHBondContact O-N 3.01Å; K300-V302 VanDerWaalsContact C-N 3.34Å; K300-V302 PolarHBondContact O-N 3Å; V302-E304 VanDerWaalsContact C-N 3.27Å; V302-E304 PolarHBondContact O-N 3.38Å; V302-G305 PolarHBondContact O-N 3.43Å; V302-L307 HydrophobicContact CG1-CD2 4.27Å
303	A	96.6	Very high	95.2	Very high	91 Å²	91	57.6 Å²	57.6	75%	0.752	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-31.6	176.3	0	0	0	0	0	113	N299 K300 G305	N299-A303 VanDerWaalsContact O-CB 3.28Å; N299-A303 WeakPolarHBondContact O-CB 3.48Å; N299-A303 PolarHBondContact O-N 2.75Å; K300-A303 PolarHBondContact O-N 3.06Å; A303-G305 PolarHBondContact O-N 2.92Å
304	E	97.1	Very high	95.4	Very high	92 Å²	92	56.1 Å²	56.1	43%	0.43	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-0.6	174.3	-70.3	175.8	-169.2	0	0	113.3	K300 L301 V302 K306	K300-E304 WeakPolarHBondContact CE-OE1 3.37Å; K300-E304 WeakPolarHBondContact CG-OE1 3.46Å; K300-E304 WeakPolarHBondContact O-CG 3.18Å; K300-E304 PolarHBondContact O-N 3.39Å; L301-E304 PolarHBondContact O-N 3.44Å; V302-E304 VanDerWaalsContact C-N 3.27Å; V302-E304 PolarHBondContact O-N 3.38Å; E304-K306 HydrophobicContact CB-CD 4.21Å; E304-K306 HydrophobicContact CB-CG 4.22Å; E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 VanDerWaalsContact OE2-CE 3.29Å; E304-K306 WeakPolarHBondContact OE2-CE 3.37Å; E304-K306 IonicContact OE2-NZ 2.7Å; E304-K306 PolarHBondContact OE2-NZ 3.03Å
305	G	95.8	Very high	95.6	Very high	42 Å²	42	54.5 Å²	54.5	43%	0.433	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	15.3	-176.7	0	0	0	0	0	114.1	L301 V302 A303 L307	L301-G305 PolarHBondContact O-N 3.34Å; V302-G305 PolarHBondContact O-N 3.43Å; A303-G305 PolarHBondContact O-N 2.92Å; G305-L307 PolarHBondContact O-N 3.17Å
306	K	97.1	Very high	95.7	Very high	53 Å²	53	56.5 Å²	56.5	23%	0.23	30%	0.301	C	S	.	.			trans	-88.4	87	175.8	-63.9	174.2	179.2	166.7	0	108.8	L272 L301 E304 E313	L272-K306 WeakPolarHBondContact CD1-O 3.47Å; L301-K306 HydrophobicContact CB-CB 4.35Å; L301-K306 HydrophobicContact CD2-CB 4.17Å; L301-K306 HydrophobicContact CD2-CD 3.74Å; L301-K306 WeakPolarHBondContact O-CB 3.14Å; L301-K306 PolarHBondContact O-N 3.32Å; E304-K306 HydrophobicContact CB-CD 4.21Å; E304-K306 HydrophobicContact CB-CG 4.22Å; E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 VanDerWaalsContact OE2-CE 3.29Å; E304-K306 WeakPolarHBondContact OE2-CE 3.37Å; E304-K306 IonicContact OE2-NZ 2.7Å; E304-K306 PolarHBondContact OE2-NZ 3.03Å; K306-E313 CarbonylContact C-O 3.57Å; K306-E313 WeakPolarHBondContact CA-O 3.28Å; K306-E313 HydrophobicContact CB-CG 4.46Å; K306-E313 WeakPolarHBondContact CB-O 3.29Å; K306-E313 HydrophobicContact CD-CG 4Å; K306-E313 WeakPolarHBondContact CE-OE1 3.35Å; K306-E313 HydrophobicContact CG-CB 4.36Å; K306-E313 HydrophobicContact CG-CG 3.97Å; K306-E313 IonicContact NZ-OE1 3.81Å
307	L	96.1	Very high	95.8	Very high	39 Å²	39	58.1 Å²	58.1	20%	0.204	30%	0.302	C	S	.	.			trans	-96.6	10.4	-171.9	-48.4	-175.1	0	0	0	113.8	G271 L272 D273 V302 G305 K310 S311 E313	G271-L307 WeakPolarHBondContact CA-O 3.4Å; L272-L307 PolarHBondContact N-O 3.05Å; D273-L307 HydrophobicContact CB-CD2 3.94Å; V302-L307 HydrophobicContact CG1-CD2 4.27Å; G305-L307 PolarHBondContact O-N 3.17Å; L307-K310 HydrophobicContact CB-CD 4.43Å; L307-K310 VanDerWaalsContact CB-CE 3.47Å; L307-K310 HydrophobicContact CB-CG 4.12Å; L307-S311 WeakPolarHBondContact CA-OG 3.33Å; L307-S311 PolarHBondContact N-OG 3.42Å; L307-E313 PolarHBondContact N-O 3.27Å
308	G	95.4	Very high	95.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	94	-146	-177.3	0	0	0	0	0	113	K310 S311 L312 E313	G308-K310 PolarHBondContact O-N 3.41Å; G308-K310 VanDerWaalsContact O-N 3.15Å; G308-S311 PolarHBondContact N-OG 2.78Å; G308-S311 PolarHBondContact O-N 2.83Å; G308-S311 VanDerWaalsContact O-N 3.1Å; G308-S311 PolarHBondContact O-OG 3.14Å; G308-L312 PolarHBondContact O-N 2.95Å; G308-L312 VanDerWaalsContact O-N 3.15Å; G308-E313 PolarHBondContact N-O 3.28Å; G308-E313 CarbonylContact O-C 3.59Å; G308-E313 PolarHBondContact O-N 2.97Å; G308-E313 VanDerWaalsContact O-N 3.14Å
309	K	93.9	Very high	95.3	Very high	112 Å²	112	65.9 Å²	65.9	49%	0.487	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.9	-31.7	-171.7	-168.6	170.8	-176.2	170	0	113.2	D268 Y269 S311 L312 Y318	D268-K309 WeakPolarHBondContact O-CB 3.43Å; D268-K309 PolarHBondContact O-N 3.48Å; Y269-K309 HydrophobicContact CD2-CD 4.3Å; K309-S311 VanDerWaalsContact C-N 3.34Å; K309-S311 PolarHBondContact O-N 3.31Å; K309-L312 PolarHBondContact O-N 2.7Å; K309-Y318 HydrophobicContact CB-CD2 4.35Å; K309-Y318 HydrophobicContact CB-CE2 4.28Å; K309-Y318 HydrophobicContact CG-CD1 4.29Å; K309-Y318 HydrophobicContact CG-CG 4.31Å
310	K	91.3	Very high	93.7	Very high	123 Å²	123	75.5 Å²	75.5	54%	0.535	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-70.8	-25.2	179.9	66.5	179.3	173.6	-174.6	0	114.3	D273 L307 G308	D273-K310 WeakPolarHBondContact OD1-CE 3.48Å; D273-K310 IonicContact OD1-NZ 2.66Å; D273-K310 PolarHBondContact OD1-NZ 3.09Å; D273-K310 WeakPolarHBondContact OD2-CE 3.43Å; D273-K310 IonicContact OD2-NZ 2.64Å; D273-K310 PolarHBondContact OD2-NZ 3.44Å; L307-K310 HydrophobicContact CB-CD 4.43Å; L307-K310 VanDerWaalsContact CB-CE 3.47Å; L307-K310 HydrophobicContact CB-CG 4.12Å; G308-K310 PolarHBondContact O-N 3.41Å; G308-K310 VanDerWaalsContact O-N 3.15Å
311	S	94	Very high	93.6	Very high	44 Å²	44	73 Å²	73	31%	0.308	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-102.9	6.4	173.8	50.8	0	0	0	0	112.5	L307 G308 K309 E313	L307-S311 WeakPolarHBondContact CA-OG 3.33Å; L307-S311 PolarHBondContact N-OG 3.42Å; G308-S311 PolarHBondContact N-OG 2.78Å; G308-S311 PolarHBondContact O-N 2.83Å; G308-S311 VanDerWaalsContact O-N 3.1Å; G308-S311 PolarHBondContact O-OG 3.14Å; K309-S311 VanDerWaalsContact C-N 3.34Å; K309-S311 PolarHBondContact O-N 3.31Å; S311-E313 PolarHBondContact O-N 3.03Å; S311-E313 VanDerWaalsContact O-N 3.14Å; S311-E313 PolarHBondContact OG-O 2.96Å
312	L	94.8	Very high	93.4	Very high	62 Å²	62	76 Å²	76	33%	0.325	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	6.4	-174.4	-53.8	170.9	0	0	0	114.9	G308 K309 Y318 K320	G308-L312 PolarHBondContact O-N 2.95Å; G308-L312 VanDerWaalsContact O-N 3.15Å; K309-L312 PolarHBondContact O-N 2.7Å; L312-Y318 PolarHBondContact O-N 3.25Å; L312-K320 HydrophobicContact CD1-CD 4.24Å; L312-K320 HydrophobicContact CD1-CG 3.47Å; L312-K320 VanDerWaalsContact CD1-CG 3.47Å; L312-K320 HydrophobicContact CD2-CG 4.37Å
313	E	96.7	Very high	93.2	Very high	61 Å²	61	78.4 Å²	78.4	29%	0.285	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-156.3	132.7	179.2	-171.3	168.8	-170.5	0	0	110.2	K306 L307 G308 S311 Y316 K317	K306-E313 CarbonylContact C-O 3.57Å; K306-E313 WeakPolarHBondContact CA-O 3.28Å; K306-E313 HydrophobicContact CB-CG 4.46Å; K306-E313 WeakPolarHBondContact CB-O 3.29Å; K306-E313 HydrophobicContact CD-CG 4Å; K306-E313 WeakPolarHBondContact CE-OE1 3.35Å; K306-E313 HydrophobicContact CG-CB 4.36Å; K306-E313 HydrophobicContact CG-CG 3.97Å; K306-E313 IonicContact NZ-OE1 3.81Å; L307-E313 PolarHBondContact N-O 3.27Å; G308-E313 PolarHBondContact N-O 3.28Å; G308-E313 CarbonylContact O-C 3.59Å; G308-E313 PolarHBondContact O-N 2.97Å; G308-E313 VanDerWaalsContact O-N 3.14Å; S311-E313 PolarHBondContact O-N 3.03Å; S311-E313 VanDerWaalsContact O-N 3.14Å; S311-E313 PolarHBondContact OG-O 2.96Å; E313-Y316 WeakPolarHBondContact CA-O 3.04Å; E313-K317 HydrophobicContact CG-CG 4.04Å; E313-K317 WeakPolarHBondContact OE1-CE 3.44Å; E313-K317 IonicContact OE1-NZ 3.9Å
314	G	95.8	Very high	93	Very high	6 Å²	6	77.7 Å²	77.7	6%	0.062	38%	0.376	C	S	.	.	S	Bend	trans	-150	-115.9	172.9	0	0	0	0	0	109.3	D268 Y316	D268-G314 WeakPolarHBondContact OD1-CA 3.49Å; G314-Y316 VanDerWaalsContact C-N 3.31Å; G314-Y316 PolarHBondContact N-O 3.37Å
315	F	96	Very high	92.7	Very high	21 Å²	21	76.8 Å²	76.8	9%	0.092	37%	0.373	C	S	.	.	S	Bend	trans	-68.1	-34.6	165.6	-69	-66.1	0	0	0	112.3	L235 K246 F264 D268 L272 L297 L301	L235-F315 HydrophobicContact CD1-CE2 3.95Å; L235-F315 HydrophobicContact CD1-CZ 3.68Å; L235-F315 HydrophobicContact CD2-CZ 3.8Å; L235-F315 HydrophobicContact CG-CE1 4.34Å; L235-F315 HydrophobicContact CG-CE2 4.41Å; L235-F315 HydrophobicContact CG-CZ 3.67Å; K246-F315 HydrophobicContact CD-CB 4.37Å; K246-F315 WeakPolarHBondContact CE-O 3.42Å; F264-F315 HydrophobicContact CB-CB 4.23Å; F264-F315 HydrophobicContact CB-CD2 4.27Å; F264-F315 HydrophobicContact CB-CG 4.28Å; F264-F315 HydrophobicContact CD1-CB 4.32Å; F264-F315 AromaticContact CD1-CD1 3.66Å; F264-F315 HydrophobicContact CD1-CD1 3.66Å; F264-F315 AromaticContact CD1-CD2 3.8Å; F264-F315 HydrophobicContact CD1-CD2 3.8Å; F264-F315 AromaticContact CD1-CE1 3.84Å; F264-F315 HydrophobicContact CD1-CE1 3.84Å; F264-F315 AromaticContact CD1-CE2 3.96Å; F264-F315 HydrophobicContact CD1-CE2 3.96Å; F264-F315 AromaticContact CD1-CG 3.65Å; F264-F315 HydrophobicContact CD1-CG 3.65Å; F264-F315 HydrophobicContact CD1-CZ 4.01Å; F264-F315 HydrophobicContact CE1-CD1 4.13Å; F264-F315 AromaticContact CE1-CE1 3.97Å; F264-F315 HydrophobicContact CE1-CE1 3.97Å; F264-F315 HydrophobicContact CE1-CZ 4.23Å; F264-F315 HydrophobicContact CG-CG 4.45Å; D268-F315 VanDerWaalsContact CG-N 3.33Å; D268-F315 WeakPolarHBondContact OD1-CD2 3.42Å; D268-F315 PolarHBondContact OD1-N 2.72Å; D268-F315 PolarHBondContact OD2-N 3.19Å; L272-F315 HydrophobicContact CD1-CD2 4.11Å; L272-F315 HydrophobicContact CD1-CE2 3.97Å; L272-F315 HydrophobicContact CD1-CZ 4.41Å; L272-F315 HydrophobicContact CD2-CD2 3.79Å; L272-F315 HydrophobicContact CD2-CE2 3.41Å; L272-F315 VanDerWaalsContact CD2-CE2 3.41Å; L272-F315 HydrophobicContact CD2-CZ 4.36Å; L272-F315 HydrophobicContact CG-CE2 4.38Å; L297-F315 HydrophobicContact CD2-CD1 4.45Å; L297-F315 HydrophobicContact CD2-CE1 3.67Å; L297-F315 HydrophobicContact CG-CE1 3.89Å; L301-F315 HydrophobicContact CD1-CD1 3.63Å; L301-F315 HydrophobicContact CD1-CE1 3.46Å; L301-F315 VanDerWaalsContact CD1-CE1 3.46Å; L301-F315 HydrophobicContact CD1-CG 4.25Å; L301-F315 HydrophobicContact CD1-CZ 3.95Å
316	Y	96.9	Very high	92.5	Very high	42 Å²	42	79.1 Å²	79.1	17%	0.165	37%	0.369	C	S	.	.	S	Bend	trans	-115.4	163.5	174.6	-58.9	-72.8	0	0	0	111.4	K246 E247 D250 F264 E265 D268 E313 G314	K246-Y316 HydrophobicContact CD-CE1 4.26Å; K246-Y316 HydrophobicContact CG-CE1 4.29Å; K246-Y316 PolarHBondContact O-OH 3.46Å; E247-Y316 HydrophobicContact CG-CE1 4.2Å; D250-Y316 VanDerWaalsContact OD2-CE2 3.24Å; D250-Y316 WeakPolarHBondContact OD2-CE2 3.27Å; D250-Y316 PolarHBondContact OD2-OH 3.49Å; F264-Y316 HydrophobicContact CB-CE2 3.73Å; E265-Y316 HydrophobicContact CG-CD2 4.29Å; E265-Y316 HydrophobicContact CG-CE2 3.83Å; D268-Y316 PolarHBondContact OD2-N 2.9Å; E313-Y316 WeakPolarHBondContact CA-O 3.04Å; G314-Y316 VanDerWaalsContact C-N 3.31Å; G314-Y316 PolarHBondContact N-O 3.37Å
317	K	95.6	Very high	92.2	Very high	163 Å²	163	81 Å²	81	71%	0.709	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-99.1	133.7	171.5	-69.6	-178	174.9	-175.9	0	109.4	E313	E313-K317 HydrophobicContact CG-CG 4.04Å; E313-K317 WeakPolarHBondContact OE1-CE 3.44Å; E313-K317 IonicContact OE1-NZ 3.9Å
318	Y	93.1	Very high	91.9	Very high	56 Å²	56	84.2 Å²	84.2	22%	0.22	39%	0.392	C	S	.	.			trans	-114.9	141.3	-179.1	-61.1	-85.3	0	0	0	110.4	D268 K309 L312	D268-Y318 HydrophobicContact CB-CE2 3.84Å; D268-Y318 WeakPolarHBondContact CB-OH 2.9Å; D268-Y318 WeakPolarHBondContact OD2-CE2 3.5Å; D268-Y318 PolarHBondContact OD2-OH 2.92Å; K309-Y318 HydrophobicContact CB-CD2 4.35Å; K309-Y318 HydrophobicContact CB-CE2 4.28Å; K309-Y318 HydrophobicContact CG-CD1 4.29Å; K309-Y318 HydrophobicContact CG-CG 4.31Å; L312-Y318 PolarHBondContact O-N 3.25Å
319	N	87.9	Confident	91.6	Very high	155 Å²	155	91.3 Å²	91.3	83%	0.829	43%	0.425	S	S	*	.			trans	-82.2	154.1	171.8	-63.6	-24.5	0	0	0	110
320	K	63.6	Low	91.4	Very high	250 Å²	250	89.4 Å²	89.4	100%	1.087	42%	0.42	S	S	*	.			trans	-66.3	0	172.5	-78.9	-174.3	177.1	177.3	0	112.2	L312	L312-K320 HydrophobicContact CD1-CD 4.24Å; L312-K320 HydrophobicContact CD1-CG 3.47Å; L312-K320 VanDerWaalsContact CD1-CG 3.47Å; L312-K320 HydrophobicContact CD2-CG 4.37Å

Retrieved 320 of 320 residues in 416.2 ms (Link to these results)

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