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Citramalyl-CoA lyase, mitochondrial

Mitochondrial citramalyl-CoA lyase indirectly involved in the vitamin B12 metabolism. Converts citramalyl-CoA into acetyl-CoA and pyruvate in the C5-dicarboxylate catabolism pathway. The C5-dicarboxylate catabolism pathway is required to detoxify itaconate, a vitamin B12-poisoning metabolite. Also acts as a malate synthase in vitro, converting glyoxylate and acetyl-CoA to malate. Also displays malyl-CoA thioesterase activity. Also acts as a beta-methylmalate synthase in vitro, by mediating conversion of glyoxylate and propionyl-CoA to beta-methylmalate. Also has very weak citramalate synthase activity in vitro.

AlphaFold DB , UniProt , Accession A0A077Z010, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	31.8	Very low	194 Å²	194	137.1 Å²	137.1	96%	0.956	72%	0.721	S	S	*	*				0	-51.1	0	-99.6	178.6	-179	0	0	113.9	L3 L4	M1-L3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 3.11Å
2	F	29.6	Very low	31.7	Very low	193 Å²	193	134.2 Å²	134.2	85%	0.846	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-36.7	-178.5	-90.5	-87.5	0	0	0	115	L4 R5	F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.45Å; F2-R5 PolarHBondContact O-N 2.93Å
3	L	29.7	Very low	31.5	Very low	163 Å²	163	130.5 Å²	130.5	85%	0.853	70%	0.698	S	S	*	*	H	α-helix	trans	-66.8	-24.7	179.5	-79.3	157	0	0	0	113.7	M1 R5	M1-L3 PolarHBondContact O-N 3.1Å; L3-R5 VanDerWaalsContact C-N 3.35Å; L3-R5 PolarHBondContact O-N 3.2Å
4	L	33.8	Very low	31.2	Very low	102 Å²	102	132.6 Å²	132.6	53%	0.534	71%	0.708	S	S	.	*	H	α-helix	trans	-75.9	-15.3	177.3	-92.4	116.7	0	0	0	113.7	M1 F2 Y8	M1-L4 PolarHBondContact O-N 3.11Å; F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.45Å; L4-Y8 HydrophobicContact CB-CE2 4.32Å; L4-Y8 HydrophobicContact CD2-CE2 3.72Å; L4-Y8 WeakPolarHBondContact CD2-OH 3.49Å; L4-Y8 HydrophobicContact CG-CE2 4.2Å; L4-Y8 WeakPolarHBondContact O-CD2 3.25Å; L4-Y8 VanDerWaalsContact O-CE2 3.29Å; L4-Y8 WeakPolarHBondContact O-CE2 3.47Å
5	R	32	Very low	31.2	Very low	217 Å²	217	127.5 Å²	127.5	82%	0.819	69%	0.687	S	S	*	*	H	α-helix	trans	-82.3	-32.3	179.4	-76.2	-173.3	174.8	-173	-1.3	113.3	F2 L3	F2-R5 PolarHBondContact O-N 2.93Å; L3-R5 VanDerWaalsContact C-N 3.35Å; L3-R5 PolarHBondContact O-N 3.2Å
6	A	31.4	Very low	30.9	Very low	82 Å²	82	125.5 Å²	125.5	68%	0.678	71%	0.706	S	S	*	*	H	α-helix	trans	-82.5	-32.8	-171	0	0	0	0	0	114	Y8	A6-Y8 PolarHBondContact O-N 2.89Å
7	A	31.4	Very low	31	Very low	69 Å²	69	128.3 Å²	128.3	57%	0.57	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-27.2	-178.5	0	0	0	0	0	113.2
8	Y	34.9	Very low	31.2	Very low	111 Å²	111	126.9 Å²	126.9	44%	0.435	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-23.7	-169.1	-77.7	-105.7	0	0	0	114.5	L4 A6 K10	L4-Y8 HydrophobicContact CB-CE2 4.32Å; L4-Y8 HydrophobicContact CD2-CE2 3.72Å; L4-Y8 WeakPolarHBondContact CD2-OH 3.49Å; L4-Y8 HydrophobicContact CG-CE2 4.2Å; L4-Y8 WeakPolarHBondContact O-CD2 3.25Å; L4-Y8 VanDerWaalsContact O-CE2 3.29Å; L4-Y8 WeakPolarHBondContact O-CE2 3.47Å; A6-Y8 PolarHBondContact O-N 2.89Å; Y8-K10 PolarHBondContact O-N 3.23Å
9	A	33.8	Very low	31	Very low	88 Å²	88	125.9 Å²	125.9	73%	0.727	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-23.3	177.8	0	0	0	0	0	112.9
10	K	27.2	Very low	31.3	Very low	181 Å²	181	124.2 Å²	124.2	79%	0.787	68%	0.682	S	S	*	*	S	Bend	trans	-87.8	-21.3	-169.9	-126.2	173.3	-176.5	178.8	0	114.8	Y8	Y8-K10 PolarHBondContact O-N 3.23Å
11	C	27.6	Very low	31.7	Very low	108 Å²	108	121.5 Å²	121.5	73%	0.73	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-86.6	-16.2	-172.4	-157.6	0	0	0	0	113.9
12	L	29.5	Very low	31.4	Very low	102 Å²	102	118.9 Å²	118.9	53%	0.534	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-88.5	-1.1	-171.9	-73.8	167.3	0	0	0	115.4
13	S	29.9	Very low	31.6	Very low	87 Å²	87	115.4 Å²	115.4	61%	0.608	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-86.9	-7.1	-176.7	64.6	0	0	0	0	115.5
14	L	27.7	Very low	31.7	Very low	160 Å²	160	112 Å²	112	84%	0.838	65%	0.645	S	S	*	*	S	Bend	trans	-97.6	-3.3	-168.9	-76.7	170.2	0	0	0	116.7
15	S	30.3	Very low	31.9	Very low	55 Å²	55	112.8 Å²	112.8	39%	0.385	66%	0.659	S	S	.	*	S	Bend	trans	-98.3	129.7	168.2	64.1	0	0	0	0	108.4	R17	S15-R17 PolarHBondContact O-N 2.99Å; S15-R17 WeakPolarHBondContact OG-CD 3.46Å; S15-R17 WeakPolarHBondContact OG-CG 3.36Å; S15-R17 PolarHBondContact OG-NE 3.33Å
16	G	26.3	Very low	32.7	Very low	96 Å²	96	106 Å²	106	99%	0.99	64%	0.635	S	S	*	*			trans	-61.2	51.2	178.4	0	0	0	0	0	115.2
17	R	33.2	Very low	33.9	Very low	173 Å²	173	107 Å²	107	65%	0.653	64%	0.644	S	S	*	*			trans	-81.7	151.1	173.8	-68.8	-179.7	-159.8	-147.2	1.4	108.7	S15	S15-R17 PolarHBondContact O-N 2.99Å; S15-R17 WeakPolarHBondContact OG-CD 3.46Å; S15-R17 WeakPolarHBondContact OG-CG 3.36Å; S15-R17 PolarHBondContact OG-NE 3.33Å
18	I	34	Very low	35.7	Very low	104 Å²	104	107.3 Å²	107.3	53%	0.533	64%	0.641	S	S	.	*	S	Bend	trans	-36.5	126.8	168.6	-61	166.9	0	0	0	108.8	L20 Y222	I18-L20 PolarHBondContact O-N 3.07Å; I18-Y222 HydrophobicContact CD1-CE1 4.38Å
19	P	27.6	Very low	38	Very low	108 Å²	108	103.6 Å²	103.6	70%	0.701	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-50.4	130.6	-168.8	14.7	-28	0	0	0	110.7	V21	P19-V21 PolarHBondContact O-N 2.79Å; P19-V21 VanDerWaalsContact O-N 3.08Å
20	L	37.4	Very low	40.6	Very low	90 Å²	90	101.7 Å²	101.7	47%	0.471	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-52	117.9	175.4	-73	160.9	0	0	0	107.9	I18 N22 R223	I18-L20 PolarHBondContact O-N 3.07Å; L20-N22 PolarHBondContact O-N 3.08Å; L20-N22 VanDerWaalsContact O-N 3.1Å; L20-R223 VanDerWaalsContact CD2-NH1 3.31Å
21	V	40	Very low	43.8	Very low	68 Å²	68	93.1 Å²	93.1	41%	0.412	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-46.4	122.8	165.1	178.8	0	0	0	0	106.3	P19 S23 A173	P19-V21 PolarHBondContact O-N 2.79Å; P19-V21 VanDerWaalsContact O-N 3.08Å; V21-S23 PolarHBondContact O-N 3.28Å; V21-A173 HydrophobicContact CG2-CB 4.47Å
22	N	31.7	Very low	47.1	Very low	140 Å²	140	88.5 Å²	88.5	75%	0.749	53%	0.534	S	S	*	.			trans	-42.4	114.6	178.8	-82.2	-30.8	0	0	0	108.4	L20 V24	L20-N22 PolarHBondContact O-N 3.08Å; L20-N22 VanDerWaalsContact O-N 3.1Å; N22-V24 PolarHBondContact O-N 2.76Å
23	S	33.5	Very low	50.3	Low	119 Å²	119	83.7 Å²	83.7	83%	0.832	51%	0.509	S	S	*	.			trans	-72.2	73.7	-171.9	59.8	0	0	0	0	109.8	V21 S25	V21-S23 PolarHBondContact O-N 3.28Å; S23-S25 PolarHBondContact O-N 2.64Å
24	V	32.6	Very low	53.6	Low	92 Å²	92	79.5 Å²	79.5	56%	0.558	48%	0.48	S	S	*	.			trans	-70.4	114	155.6	-174.6	0	0	0	0	104.4	N22 F26	N22-V24 PolarHBondContact O-N 2.76Å; V24-F26 HydrophobicContact CB-CD2 4Å; V24-F26 HydrophobicContact CB-CE2 3.5Å; V24-F26 VanDerWaalsContact CB-CE2 3.5Å; V24-F26 HydrophobicContact CB-CZ 3.84Å; V24-F26 HydrophobicContact CG1-CD1 4.27Å; V24-F26 HydrophobicContact CG1-CD2 4.08Å; V24-F26 HydrophobicContact CG1-CE1 3.83Å; V24-F26 HydrophobicContact CG1-CE2 3.64Å; V24-F26 HydrophobicContact CG1-CG 4.39Å; V24-F26 HydrophobicContact CG1-CZ 3.48Å; V24-F26 VanDerWaalsContact CG1-CZ 3.48Å; V24-F26 HydrophobicContact CG2-CE2 4.36Å; V24-F26 WeakPolarHBondContact O-CD2 3.31Å; V24-F26 PolarHBondContact O-N 2.95Å
25	S	37.7	Very low	56.9	Low	118 Å²	118	72.5 Å²	72.5	83%	0.825	44%	0.443	S	S	*	.			trans	-71.8	78.6	179.5	63.2	0	0	0	0	109.2	S23	S23-S25 PolarHBondContact O-N 2.64Å
26	F	49.6	Very low	60.1	Low	74 Å²	74	71.5 Å²	71.5	33%	0.325	43%	0.431	S	S	.	.			trans	-67.9	136.6	168.7	-64.6	-73.1	0	0	0	108.4	V24 C28 P149	V24-F26 HydrophobicContact CB-CD2 4Å; V24-F26 HydrophobicContact CB-CE2 3.5Å; V24-F26 VanDerWaalsContact CB-CE2 3.5Å; V24-F26 HydrophobicContact CB-CZ 3.84Å; V24-F26 HydrophobicContact CG1-CD1 4.27Å; V24-F26 HydrophobicContact CG1-CD2 4.08Å; V24-F26 HydrophobicContact CG1-CE1 3.83Å; V24-F26 HydrophobicContact CG1-CE2 3.64Å; V24-F26 HydrophobicContact CG1-CG 4.39Å; V24-F26 HydrophobicContact CG1-CZ 3.48Å; V24-F26 VanDerWaalsContact CG1-CZ 3.48Å; V24-F26 HydrophobicContact CG2-CE2 4.36Å; V24-F26 WeakPolarHBondContact O-CD2 3.31Å; V24-F26 PolarHBondContact O-N 2.95Å; F26-C28 PolarHBondContact O-N 3.17Å; F26-P149 HydrophobicContact CZ-CB 4.36Å; F26-P149 HydrophobicContact CZ-CG 4.35Å
27	A	56.4	Low	63.5	Low	103 Å²	103	67.1 Å²	67.1	85%	0.851	39%	0.385	S	S	*	.			trans	-67.8	85	167.2	0	0	0	0	0	107.6	V29	A27-V29 PolarHBondContact O-N 2.88Å
28	C	68.1	Low	66.6	Low	77 Å²	77	59.9 Å²	59.9	52%	0.52	36%	0.36	S	S	.	.			trans	-68.8	119.6	-174.7	-176.8	0	0	0	0	109.9	F26 Y30 Q225	F26-C28 PolarHBondContact O-N 3.17Å; C28-Y30 PolarHBondContact O-N 3.38Å; C28-Q225 PolarHBondContact SG-NE2 3.21Å
29	V	83	Confident	69.7	Low	33 Å²	33	55 Å²	55	20%	0.2	34%	0.335	C	S	.	.			trans	-71.8	125.9	176.1	179	0	0	0	0	108.8	A27 R31 K90 E91 Q225	A27-V29 PolarHBondContact O-N 2.88Å; V29-R31 HydrophobicContact CG1-CG 4.23Å; V29-R31 PolarHBondContact O-N 3.19Å; V29-K90 HydrophobicContact CG1-CB 4.45Å; V29-E91 HydrophobicContact CG1-CB 4.12Å; V29-E91 HydrophobicContact CG2-CB 4.32Å; V29-Q225 PolarHBondContact O-NE2 2.79Å; V29-Q225 PolarHBondContact O-OE1 2.88Å
30	Y	88.3	Confident	73	Confident	48 Å²	48	50.3 Å²	50.3	19%	0.188	31%	0.305	C	S	.	.			trans	-81.1	100.9	176.6	-163.8	-115.2	0	0	0	110.4	C28 R32 D54 T253 C319 A322	C28-Y30 PolarHBondContact O-N 3.38Å; Y30-R32 HydrophobicContact CD1-CG 3.39Å; Y30-R32 HydrophobicContact CE1-CG 3.39Å; Y30-R32 HydrophobicContact CG-CG 4.5Å; Y30-R32 PolarHBondContact O-N 2.92Å; Y30-R32 VanDerWaalsContact O-N 3.07Å; Y30-D54 WeakPolarHBondContact O-CB 3.47Å; Y30-T253 HydrophobicContact CD2-CG2 3.93Å; Y30-T253 HydrophobicContact CE2-CG2 3.45Å; Y30-T253 VanDerWaalsContact CE2-CG2 3.45Å; Y30-C319 PolarHBondContact OH-SG 2.74Å; Y30-A322 HydrophobicContact CG-CB 4.4Å
31	R	95.3	Very high	75.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.294	C	S	.	.			trans	-87.8	66.8	-167.5	-60.6	176.8	-176.5	93.1	-2.1	112.2	V29 M34 C55 E91 E184 I227 G254	V29-R31 HydrophobicContact CG1-CG 4.23Å; V29-R31 PolarHBondContact O-N 3.19Å; R31-M34 HydrophobicContact CB-CE 4.3Å; R31-M34 HydrophobicContact CG-CE 4.45Å; R31-C55 HydrophobicContact CG-CB 4.2Å; R31-E91 IonicContact CZ-OE1 3.61Å; R31-E91 IonicContact CZ-OE2 2.66Å; R31-E91 IonicContact NE-OE1 3.73Å; R31-E91 PolarHBondContact NE-OE1 3.46Å; R31-E91 IonicContact NE-OE2 3.84Å; R31-E91 PolarHBondContact NE-OE2 3.37Å; R31-E91 IonicContact NH2-OE1 2.7Å; R31-E91 PolarHBondContact NH2-OE1 2.77Å; R31-E91 IonicContact NH2-OE2 2.92Å; R31-E184 IonicContact CZ-OE2 2.78Å; R31-E184 IonicContact NH1-OE2 3.69Å; R31-E184 PolarHBondContact NH1-OE2 3.44Å; R31-E184 IonicContact NH2-OE2 3.65Å; R31-E184 PolarHBondContact NH2-OE2 3.26Å; R31-I227 HydrophobicContact CB-CD1 4.03Å; R31-I227 WeakPolarHBondContact O-CD1 3.33Å; R31-G254 WeakPolarHBondContact O-CA 3.09Å
32	R	96.6	Very high	78.6	Confident	12 Å²	12	50.5 Å²	50.5	5%	0.045	30%	0.301	C	S	.	.	S	Bend	trans	-66.3	-44.7	-179.8	-57.8	166.6	-70.8	-153.9	-9.4	111.5	Y30 D54 G254 K255 V266 Q267 F270 K323	Y30-R32 HydrophobicContact CD1-CG 3.39Å; Y30-R32 HydrophobicContact CE1-CG 3.39Å; Y30-R32 HydrophobicContact CG-CG 4.5Å; Y30-R32 PolarHBondContact O-N 2.92Å; Y30-R32 VanDerWaalsContact O-N 3.07Å; R32-D54 VanDerWaalsContact CB-OD2 3.23Å; R32-D54 WeakPolarHBondContact CB-OD2 3.4Å; R32-D54 IonicContact CZ-OD1 3.16Å; R32-D54 IonicContact CZ-OD2 2.89Å; R32-D54 PolarHBondContact N-OD2 3.45Å; R32-D54 IonicContact NE-OD1 2.98Å; R32-D54 IonicContact NE-OD2 2.8Å; R32-D54 PolarHBondContact NE-OD2 3.07Å; R32-D54 IonicContact NH2-OD1 3.3Å; R32-D54 PolarHBondContact NH2-OD1 2.84Å; R32-D54 IonicContact NH2-OD2 2.84Å; R32-D54 PolarHBondContact NH2-OD2 3.2Å; R32-G254 CarbonylContact O-C 3.53Å; R32-G254 WeakPolarHBondContact O-CA 3.34Å; R32-K255 PolarHBondContact O-N 2.79Å; R32-V266 WeakPolarHBondContact O-CG1 3.26Å; R32-Q267 HydrophobicContact CB-CG 4.32Å; R32-F270 HydrophobicContact CB-CB 3.91Å; R32-F270 HydrophobicContact CG-CB 3.89Å; R32-K323 PolarHBondContact NH2-O 3.3Å
33	A	97.8	Very high	81.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.2	174.8	0	0	0	0	0	109.9	A53 C55 V257 V263 V266 Q267	A33-A53 HydrophobicContact CB-CB 4.46Å; A33-C55 PolarHBondContact O-N 3.3Å; A33-C55 VanDerWaalsContact O-N 3.12Å; A33-V257 HydrophobicContact CB-CG2 3.99Å; A33-V263 HydrophobicContact CB-CG1 4.22Å; A33-V266 HydrophobicContact CB-CB 4.28Å; A33-V266 HydrophobicContact CB-CG1 3.97Å; A33-Q267 HydrophobicContact CB-CG 3.6Å
34	M	98.1	Very high	84.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.4	174.5	-175.7	176.3	-71.5	0	0	109	R31 Y36 C55 V57 I153 V187 I227 K255 Q256 V257	R31-M34 HydrophobicContact CB-CE 4.3Å; R31-M34 HydrophobicContact CG-CE 4.45Å; M34-Y36 HydrophobicContact CG-CE1 4.41Å; M34-Y36 HydrophobicContact SD-CE1 4.5Å; M34-C55 WeakPolarHBondContact CA-O 3.37Å; M34-C55 HydrophobicContact CG-CB 4.41Å; M34-V57 HydrophobicContact CG-CG2 3.79Å; M34-V57 HydrophobicContact SD-CG2 4.41Å; M34-I153 HydrophobicContact CE-CG1 4.49Å; M34-I153 HydrophobicContact CE-CG2 4.2Å; M34-V187 HydrophobicContact SD-CG2 3.9Å; M34-I227 HydrophobicContact CB-CG2 4.36Å; M34-I227 HydrophobicContact CE-CG1 4.13Å; M34-I227 HydrophobicContact SD-CG2 4.48Å; M34-K255 PolarHBondContact N-O 3.1Å; M34-K255 VanDerWaalsContact N-O 3.12Å; M34-Q256 WeakPolarHBondContact O-CA 3.23Å; M34-V257 PolarHBondContact O-N 2.91Å
35	M	97.7	Very high	87.8	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.064	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.9	-173.9	-177.3	178.9	171.8	0	0	111.5	L51 A53 C55 V56 V57 V257 P260 V263	M35-L51 HydrophobicContact CE-CD1 4.47Å; M35-L51 HydrophobicContact CE-CD2 4.2Å; M35-L51 HydrophobicContact SD-CD1 4.31Å; M35-L51 HydrophobicContact SD-CD2 4.04Å; M35-A53 HydrophobicContact CB-CB 4.19Å; M35-C55 PolarHBondContact N-O 3.47Å; M35-V56 CarbonylContact O-C 3.52Å; M35-V56 WeakPolarHBondContact O-CA 3.3Å; M35-V57 PolarHBondContact O-N 3.36Å; M35-V257 WeakPolarHBondContact CA-O 3.3Å; M35-V257 HydrophobicContact CB-CB 4.25Å; M35-V257 HydrophobicContact CB-CG1 4.32Å; M35-V257 HydrophobicContact CG-CG1 4.27Å; M35-P260 HydrophobicContact CE-CG 3.71Å; M35-P260 HydrophobicContact SD-CG 4.37Å; M35-V263 HydrophobicContact SD-CG2 4.15Å
36	Y	97.2	Very high	90.6	Very high	34 Å²	34	47.6 Å²	47.6	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.5	179	-51.3	-81.6	0	0	0	111.9	M34 V57 W155 Q256	M34-Y36 HydrophobicContact CG-CE1 4.41Å; M34-Y36 HydrophobicContact SD-CE1 4.5Å; Y36-V57 HydrophobicContact CD1-CB 3.64Å; Y36-V57 HydrophobicContact CD1-CG1 3.97Å; Y36-V57 HydrophobicContact CD1-CG2 3.97Å; Y36-V57 HydrophobicContact CE1-CB 4.04Å; Y36-V57 HydrophobicContact CE1-CG1 4.24Å; Y36-V57 HydrophobicContact CE1-CG2 3.9Å; Y36-W155 HydrophobicContact CE1-CH2 4.08Å; Y36-W155 AromaticContact CE1-CZ2 3.62Å; Y36-W155 HydrophobicContact CE1-CZ2 3.62Å; Y36-W155 AromaticContact CZ-CZ2 3.74Å; Y36-W155 WeakPolarHBondContact OH-CZ2 3.39Å; Y36-Q256 HydrophobicContact CE2-CB 4.09Å; Y36-Q256 HydrophobicContact CE2-CG 4.08Å; Y36-Q256 WeakPolarHBondContact OH-CG 3.37Å; Y36-Q256 PolarHBondContact OH-OE1 3.08Å
37	V	97.8	Very high	92.8	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.3	172.7	-179.4	0	0	0	0	108	A39 K44 L45 L48 L51 V56 V57 D59	V37-A39 PolarHBondContact O-N 3.29Å; V37-A39 VanDerWaalsContact O-N 3.09Å; V37-K44 HydrophobicContact CG1-CB 3.74Å; V37-L45 HydrophobicContact CG1-CD2 3.73Å; V37-L45 HydrophobicContact CG1-CG 4.31Å; V37-L48 HydrophobicContact CG2-CD2 4.43Å; V37-L51 HydrophobicContact CG2-CD1 3.79Å; V37-V56 HydrophobicContact CG2-CG1 3.83Å; V37-V57 PolarHBondContact N-O 2.76Å; V37-D59 PolarHBondContact O-N 3.29Å
38	P	98.3	Very high	94.7	Very high	21 Å²	21	44.8 Å²	44.8	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	118.4	174.2	-28.8	36.9	0	0	0	110.9	S40 D41 G63 V64	P38-S40 PolarHBondContact O-N 3.36Å; P38-S40 VanDerWaalsContact O-N 3.14Å; P38-D41 HydrophobicContact CB-CB 4.28Å; P38-D41 PolarHBondContact O-N 3.47Å; P38-G63 WeakPolarHBondContact CB-O 3.48Å; P38-V64 HydrophobicContact CB-CG2 4.21Å
39	A	98.2	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.2	-175	0	0	0	0	0	113	V37 D41 L45 L58 D59 A72 N75 V76	V37-A39 PolarHBondContact O-N 3.29Å; V37-A39 VanDerWaalsContact O-N 3.09Å; A39-D41 VanDerWaalsContact C-N 3.34Å; A39-L45 VanDerWaalsContact O-CD1 3.28Å; A39-L45 WeakPolarHBondContact O-CD1 3.38Å; A39-L58 HydrophobicContact CB-CB 4.48Å; A39-D59 WeakPolarHBondContact CB-O 3.35Å; A39-D59 PolarHBondContact N-O 3.25Å; A39-A72 HydrophobicContact CB-CB 3.91Å; A39-N75 WeakPolarHBondContact O-CB 3.26Å; A39-N75 PolarHBondContact O-ND2 3.26Å; A39-V76 HydrophobicContact CB-CG2 3.52Å
40	S	98.2	Very high	96.6	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.9	169.4	64.1	0	0	0	0	114.2	P38 R68	P38-S40 PolarHBondContact O-N 3.36Å; P38-S40 VanDerWaalsContact O-N 3.14Å; S40-R68 PolarHBondContact O-NH2 3Å
41	D	98	Very high	97	Very high	45 Å²	45	47.3 Å²	47.3	24%	0.241	23%	0.23	C	C	.	.			trans	-106.6	87.3	-176.9	-172.1	-21.1	0	0	0	110.7	P38 A39 R43 K44 L45	P38-D41 HydrophobicContact CB-CB 4.28Å; P38-D41 PolarHBondContact O-N 3.47Å; A39-D41 VanDerWaalsContact C-N 3.34Å; D41-R43 PolarHBondContact O-N 3.25Å; D41-R43 VanDerWaalsContact O-N 3.16Å; D41-R43 WeakPolarHBondContact OD1-CB 3.42Å; D41-R43 PolarHBondContact OD1-N 2.91Å; D41-K44 HydrophobicContact CB-CB 4.24Å; D41-K44 HydrophobicContact CB-CD 4.2Å; D41-K44 HydrophobicContact CB-CG 4.34Å; D41-K44 PolarHBondContact O-N 3.41Å; D41-K44 PolarHBondContact OD1-N 2.8Å; D41-K44 WeakPolarHBondContact OD2-CD 3.46Å; D41-K44 WeakPolarHBondContact OD2-CE 3.31Å; D41-K44 WeakPolarHBondContact OD2-CG 3.38Å; D41-K44 IonicContact OD2-NZ 3.48Å; D41-K44 PolarHBondContact OD2-NZ 3.01Å; D41-L45 WeakPolarHBondContact O-CG 3.44Å; D41-L45 PolarHBondContact O-N 3.35Å
42	E	96.9	Very high	97	Very high	117 Å²	117	53.8 Å²	53.8	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-57.2	-30.8	-178.7	-66	-171.6	176.1	0	0	113.4	K44 L45 A46	E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.29Å; E42-L45 PolarHBondContact O-N 3.27Å; E42-A46 WeakPolarHBondContact O-CB 3.43Å; E42-A46 PolarHBondContact O-N 3.08Å
43	R	97	Very high	97	Very high	215 Å²	215	53.2 Å²	53.2	81%	0.811	26%	0.257	S	S	*	.	H	α-helix	trans	-67.4	-37	178.1	-64.6	-179.5	179	177.5	0.1	111.3	D41	D41-R43 PolarHBondContact O-N 3.25Å; D41-R43 VanDerWaalsContact O-N 3.16Å; D41-R43 WeakPolarHBondContact OD1-CB 3.42Å; D41-R43 PolarHBondContact OD1-N 2.91Å
44	K	96.9	Very high	96.9	Very high	103 Å²	103	53.3 Å²	53.3	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-76.3	-38.1	173.7	-68.3	179	-173.1	165.4	0	111.6	V37 D41 E42 A46 K47	V37-K44 HydrophobicContact CG1-CB 3.74Å; D41-K44 HydrophobicContact CB-CB 4.24Å; D41-K44 HydrophobicContact CB-CD 4.2Å; D41-K44 HydrophobicContact CB-CG 4.34Å; D41-K44 PolarHBondContact O-N 3.41Å; D41-K44 PolarHBondContact OD1-N 2.8Å; D41-K44 WeakPolarHBondContact OD2-CD 3.46Å; D41-K44 WeakPolarHBondContact OD2-CE 3.31Å; D41-K44 WeakPolarHBondContact OD2-CG 3.38Å; D41-K44 IonicContact OD2-NZ 3.48Å; D41-K44 PolarHBondContact OD2-NZ 3.01Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.29Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.5Å; K44-K47 WeakPolarHBondContact O-CB 3.38Å; K44-K47 PolarHBondContact O-N 3.09Å
45	L	97	Very high	96.8	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-36.6	175.5	-66.5	173.9	0	0	0	112.5	V37 A39 D41 E42 K47 L48 L58 N75 L79	V37-L45 HydrophobicContact CG1-CD2 3.73Å; V37-L45 HydrophobicContact CG1-CG 4.31Å; A39-L45 VanDerWaalsContact O-CD1 3.28Å; A39-L45 WeakPolarHBondContact O-CD1 3.38Å; D41-L45 WeakPolarHBondContact O-CG 3.44Å; D41-L45 PolarHBondContact O-N 3.35Å; E42-L45 PolarHBondContact O-N 3.27Å; L45-K47 PolarHBondContact O-N 2.98Å; L45-K47 VanDerWaalsContact O-N 3.08Å; L45-L48 HydrophobicContact CD2-CD1 4.17Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 WeakPolarHBondContact O-CD1 3.36Å; L45-L48 WeakPolarHBondContact O-CG 3.4Å; L45-L48 PolarHBondContact O-N 3.21Å; L45-L48 VanDerWaalsContact O-N 3.07Å; L45-L58 HydrophobicContact CD2-CD2 3.58Å; L45-N75 HydrophobicContact CD1-CB 3.96Å; L45-L79 HydrophobicContact CB-CD1 4.32Å; L45-L79 HydrophobicContact CD1-CD1 3.86Å; L45-L79 HydrophobicContact CD2-CD1 3.7Å; L45-L79 HydrophobicContact CG-CD1 4.17Å
46	A	95.9	Very high	96.8	Very high	75 Å²	75	52.7 Å²	52.7	62%	0.62	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20	174.6	0	0	0	0	0	113.5	E42 K44 P49	E42-A46 WeakPolarHBondContact O-CB 3.43Å; E42-A46 PolarHBondContact O-N 3.08Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.5Å; A46-P49 WeakPolarHBondContact O-CD 3.34Å
47	K	96.1	Very high	96.9	Very high	117 Å²	117	51.1 Å²	51.1	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.2	178.9	-60.9	-176.5	178.9	-173.1	0	114	K44 L45 P49 E50 L51	K44-K47 WeakPolarHBondContact O-CB 3.38Å; K44-K47 PolarHBondContact O-N 3.09Å; L45-K47 PolarHBondContact O-N 2.98Å; L45-K47 VanDerWaalsContact O-N 3.08Å; K47-P49 VanDerWaalsContact C-N 3.26Å; K47-P49 VanDerWaalsContact O-N 3.15Å; K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.05Å; K47-L51 PolarHBondContact O-N 2.91Å
48	L	96.3	Very high	96.9	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-48.1	-39.2	176.1	-72.6	171.1	0	0	0	114.1	V37 L45 E50 L51 V56 L58 L79 G88 L92	V37-L48 HydrophobicContact CG2-CD2 4.43Å; L45-L48 HydrophobicContact CD2-CD1 4.17Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 WeakPolarHBondContact O-CD1 3.36Å; L45-L48 WeakPolarHBondContact O-CG 3.4Å; L45-L48 PolarHBondContact O-N 3.21Å; L45-L48 VanDerWaalsContact O-N 3.07Å; L48-E50 PolarHBondContact O-N 3.32Å; L48-L51 HydrophobicContact CD2-CD1 4.21Å; L48-L51 PolarHBondContact O-N 2.95Å; L48-V56 HydrophobicContact CD2-CG1 3.61Å; L48-L58 HydrophobicContact CD1-CD2 4.1Å; L48-L58 HydrophobicContact CD2-CD2 4.27Å; L48-L79 HydrophobicContact CD1-CD1 4.12Å; L48-L79 HydrophobicContact CD1-CD2 4.3Å; L48-G88 PolarHBondContact O-N 3.03Å; L48-L92 HydrophobicContact CD2-CD1 4.14Å
49	P	96.1	Very high	96.9	Very high	57 Å²	57	50.1 Å²	50.1	37%	0.37	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26	177.6	-22.4	33.2	0	0	0	114.4	A46 K47 K52 K86 G88	A46-P49 WeakPolarHBondContact O-CD 3.34Å; K47-P49 VanDerWaalsContact C-N 3.26Å; K47-P49 VanDerWaalsContact O-N 3.15Å; P49-K52 PolarHBondContact O-NZ 3.48Å; P49-K86 HydrophobicContact CB-CB 4.21Å; P49-K86 HydrophobicContact CG-CB 3.97Å; P49-K86 WeakPolarHBondContact CG-O 3.35Å; P49-G88 WeakPolarHBondContact O-CA 3.45Å
50	E	95.6	Very high	96.9	Very high	137 Å²	137	50.1 Å²	50.1	64%	0.64	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-87.4	-23.4	-176.5	-59.3	174.5	-169.6	0	0	112.5	K47 L48 K52	K47-E50 WeakPolarHBondContact O-CB 3.33Å; K47-E50 PolarHBondContact O-N 3.05Å; L48-E50 PolarHBondContact O-N 3.32Å; E50-K52 PolarHBondContact O-N 3.35Å
51	L	95.5	Very high	96.9	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.089	24%	0.238	C	C	.	.			trans	-72.1	119	-177.5	-61.4	-178.1	0	0	0	110.8	M35 V37 K47 L48 V56 G88 A89 P260	M35-L51 HydrophobicContact CE-CD1 4.47Å; M35-L51 HydrophobicContact CE-CD2 4.2Å; M35-L51 HydrophobicContact SD-CD1 4.31Å; M35-L51 HydrophobicContact SD-CD2 4.04Å; V37-L51 HydrophobicContact CG2-CD1 3.79Å; K47-L51 PolarHBondContact O-N 2.91Å; L48-L51 HydrophobicContact CD2-CD1 4.21Å; L48-L51 PolarHBondContact O-N 2.95Å; L51-V56 HydrophobicContact CB-CG2 3.95Å; L51-V56 HydrophobicContact CD1-CG1 4.08Å; L51-V56 HydrophobicContact CD1-CG2 3.9Å; L51-G88 CarbonylContact O-C 2.82Å; L51-G88 WeakPolarHBondContact O-CA 3.41Å; L51-A89 PolarHBondContact O-N 2.97Å; L51-P260 HydrophobicContact CD2-CB 4.41Å; L51-P260 HydrophobicContact CD2-CG 4.11Å
52	K	94.8	Very high	96.8	Very high	135 Å²	135	52 Å²	52	59%	0.587	25%	0.25	S	S	*	.			trans	-105	27.2	-179.4	-56.4	-54.1	-175.9	-165.8	0	113.7	P49 E50 Q267	P49-K52 PolarHBondContact O-NZ 3.48Å; E50-K52 PolarHBondContact O-N 3.35Å; K52-Q267 PolarHBondContact O-NE2 3.21Å; K52-Q267 PolarHBondContact O-OE1 3.25Å
53	A	96.5	Very high	96.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	24%	0.244	C	C	.	.			trans	-71.4	152.1	174.9	0	0	0	0	0	110.5	A33 M35 C55 V56 A89 K90 V263 Q267	A33-A53 HydrophobicContact CB-CB 4.46Å; M35-A53 HydrophobicContact CB-CB 4.19Å; A53-C55 PolarHBondContact O-N 2.98Å; A53-V56 HydrophobicContact CB-CG2 4.07Å; A53-A89 WeakPolarHBondContact O-CA 3.45Å; A53-A89 WeakPolarHBondContact O-CB 3.33Å; A53-K90 PolarHBondContact O-N 3.17Å; A53-V263 HydrophobicContact CB-CG1 3.87Å; A53-V263 HydrophobicContact CB-CG2 4.04Å; A53-Q267 VanDerWaalsContact CA-OE1 3.29Å
54	D	95.9	Very high	96.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	21%	0.207	C	C	.	.	S	Bend	trans	-60.4	-40.1	173.5	-66.7	-54.2	0	0	0	110.4	Y30 R32 K90 E91 Q267	Y30-D54 WeakPolarHBondContact O-CB 3.47Å; R32-D54 VanDerWaalsContact CB-OD2 3.23Å; R32-D54 WeakPolarHBondContact CB-OD2 3.4Å; R32-D54 IonicContact CZ-OD1 3.16Å; R32-D54 IonicContact CZ-OD2 2.89Å; R32-D54 PolarHBondContact N-OD2 3.45Å; R32-D54 IonicContact NE-OD1 2.98Å; R32-D54 IonicContact NE-OD2 2.8Å; R32-D54 PolarHBondContact NE-OD2 3.07Å; R32-D54 IonicContact NH2-OD1 3.3Å; R32-D54 PolarHBondContact NH2-OD1 2.84Å; R32-D54 IonicContact NH2-OD2 2.84Å; R32-D54 PolarHBondContact NH2-OD2 3.2Å; D54-K90 WeakPolarHBondContact O-CB 3.47Å; D54-K90 PolarHBondContact O-N 3.23Å; D54-K90 WeakPolarHBondContact OD1-CE 3.44Å; D54-K90 IonicContact OD1-NZ 2.96Å; D54-K90 PolarHBondContact OD1-NZ 2.91Å; D54-E91 PolarHBondContact O-N 2.89Å; D54-Q267 PolarHBondContact OD2-OE1 3.43Å
55	C	97.3	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.6	175.8	179	0	0	0	0	110.8	R31 A33 M34 M35 A53 E91 M122	R31-C55 HydrophobicContact CG-CB 4.2Å; A33-C55 PolarHBondContact O-N 3.3Å; A33-C55 VanDerWaalsContact O-N 3.12Å; M34-C55 WeakPolarHBondContact CA-O 3.37Å; M34-C55 HydrophobicContact CG-CB 4.41Å; M35-C55 PolarHBondContact N-O 3.47Å; A53-C55 PolarHBondContact O-N 2.98Å; C55-E91 WeakPolarHBondContact CA-O 3.3Å; C55-E91 HydrophobicContact CB-CB 4.37Å; C55-E91 PolarHBondContact SG-OE2 3.41Å; C55-M122 VanDerWaalsContact SG-CE 3.59Å
56	V	98	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.2	166.9	171.7	0	0	0	0	108.8	M35 V37 L48 L51 A53 A89 E91 L92 G93	M35-V56 CarbonylContact O-C 3.52Å; M35-V56 WeakPolarHBondContact O-CA 3.3Å; V37-V56 HydrophobicContact CG2-CG1 3.83Å; L48-V56 HydrophobicContact CD2-CG1 3.61Å; L51-V56 HydrophobicContact CB-CG2 3.95Å; L51-V56 HydrophobicContact CD1-CG1 4.08Å; L51-V56 HydrophobicContact CD1-CG2 3.9Å; A53-V56 HydrophobicContact CB-CG2 4.07Å; V56-A89 HydrophobicContact CB-CB 3.95Å; V56-A89 HydrophobicContact CG2-CB 3.56Å; V56-E91 PolarHBondContact N-O 3.47Å; V56-L92 HydrophobicContact CB-CD1 4.3Å; V56-L92 HydrophobicContact CG1-CD1 4.06Å; V56-L92 CarbonylContact O-C 3.57Å; V56-L92 WeakPolarHBondContact O-CA 3.34Å; V56-G93 PolarHBondContact O-N 2.99Å
57	V	98.1	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	-175.2	-170.4	0	0	0	0	109.3	M34 M35 Y36 V37 D59 R95 M122	M34-V57 HydrophobicContact CG-CG2 3.79Å; M34-V57 HydrophobicContact SD-CG2 4.41Å; M35-V57 PolarHBondContact O-N 3.36Å; Y36-V57 HydrophobicContact CD1-CB 3.64Å; Y36-V57 HydrophobicContact CD1-CG1 3.97Å; Y36-V57 HydrophobicContact CD1-CG2 3.97Å; Y36-V57 HydrophobicContact CE1-CB 4.04Å; Y36-V57 HydrophobicContact CE1-CG1 4.24Å; Y36-V57 HydrophobicContact CE1-CG2 3.9Å; V37-V57 PolarHBondContact N-O 2.76Å; V57-D59 PolarHBondContact O-N 3.07Å; V57-R95 HydrophobicContact CG1-CB 3.62Å; V57-M122 HydrophobicContact CB-CE 4.31Å; V57-M122 HydrophobicContact CG1-CB 4.32Å; V57-M122 HydrophobicContact CG1-CE 4.07Å; V57-M122 HydrophobicContact CG1-CG 3.89Å; V57-M122 HydrophobicContact CG1-SD 3.74Å; V57-M122 HydrophobicContact CG2-CE 3.52Å; V57-M122 HydrophobicContact CG2-CG 4.47Å; V57-M122 HydrophobicContact CG2-SD 4.32Å
58	L	98.3	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	110.2	168.2	-56.6	-179.9	0	0	0	108.3	A39 L45 L48 V76 L79 L80 L92 G93 R95	A39-L58 HydrophobicContact CB-CB 4.48Å; L45-L58 HydrophobicContact CD2-CD2 3.58Å; L48-L58 HydrophobicContact CD1-CD2 4.1Å; L48-L58 HydrophobicContact CD2-CD2 4.27Å; L58-V76 HydrophobicContact CB-CG2 3.91Å; L58-V76 HydrophobicContact CD1-CG1 4.38Å; L58-V76 HydrophobicContact CD1-CG2 4.25Å; L58-L79 HydrophobicContact CD1-CB 4.31Å; L58-L79 HydrophobicContact CD1-CD1 4.25Å; L58-L79 HydrophobicContact CD2-CD1 4.24Å; L58-L80 HydrophobicContact CD1-CD2 4.1Å; L58-L80 HydrophobicContact CD1-CG 4.29Å; L58-L92 HydrophobicContact CD1-CD1 4.36Å; L58-L92 HydrophobicContact CD1-CD2 4.41Å; L58-L92 HydrophobicContact CD1-CG 4.39Å; L58-L92 HydrophobicContact CD2-CD1 3.92Å; L58-L92 HydrophobicContact CG-CD1 3.86Å; L58-L92 HydrophobicContact CG-CG 4.35Å; L58-G93 PolarHBondContact N-O 2.9Å; L58-R95 PolarHBondContact O-N 3.19Å
59	D	98.4	Very high	97	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.6	-170.9	-178.6	25.4	0	0	0	112.2	V37 A39 V57 E61 G63 V64 R95	V37-D59 PolarHBondContact O-N 3.29Å; A39-D59 WeakPolarHBondContact CB-O 3.35Å; A39-D59 PolarHBondContact N-O 3.25Å; V57-D59 PolarHBondContact O-N 3.07Å; D59-E61 WeakPolarHBondContact OD1-CA 3.44Å; D59-E61 PolarHBondContact OD1-N 2.92Å; D59-G63 WeakPolarHBondContact OD2-CA 3.4Å; D59-G63 PolarHBondContact OD2-N 3.32Å; D59-V64 WeakPolarHBondContact O-CG2 3.38Å; D59-R95 IonicContact OD1-CZ 2.93Å; D59-R95 IonicContact OD1-NE 3.38Å; D59-R95 PolarHBondContact OD1-NE 2.91Å; D59-R95 IonicContact OD1-NH2 2.89Å; D59-R95 PolarHBondContact OD1-NH2 2.84Å; D59-R95 IonicContact OD2-CZ 3.35Å; D59-R95 IonicContact OD2-NE 2.85Å; D59-R95 IonicContact OD2-NH2 3.92Å; D59-R95 PolarHBondContact OD2-NH2 2.87Å
60	C	98.3	Very high	97.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.253	C	S	.	.			trans	-102.4	-3.5	169.4	-67.4	0	0	0	0	113.4	K69 W94 R95 N97	C60-K69 WeakPolarHBondContact O-CD 3.39Å; C60-K69 PolarHBondContact O-NZ 3.44Å; C60-W94 PolarHBondContact SG-NE1 3.44Å; C60-W94 VanDerWaalsContact SG-NE1 3.38Å; C60-R95 VanDerWaalsContact CB-O 3.3Å; C60-R95 WeakPolarHBondContact CB-O 3.48Å; C60-R95 PolarHBondContact N-O 3.01Å; C60-N97 PolarHBondContact O-ND2 3.31Å; C60-N97 PolarHBondContact O-OD1 3.5Å; C60-N97 VanDerWaalsContact O-OD1 3.14Å
61	E	97.7	Very high	97.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.014	24%	0.235	C	C	.	.	S	Bend	trans	-97.3	-125.7	-174.6	-165.5	-125.7	-145.1	0	0	111.3	D59 G63 V64 K69 R95 P124 K125	D59-E61 WeakPolarHBondContact OD1-CA 3.44Å; D59-E61 PolarHBondContact OD1-N 2.92Å; E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 3.21Å; E61-G63 VanDerWaalsContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 3.27Å; E61-K69 VanDerWaalsContact CA-NZ 3.31Å; E61-K69 PolarHBondContact O-NZ 3.41Å; E61-R95 HydrophobicContact CB-CG 4.32Å; E61-R95 IonicContact OE2-CZ 3.83Å; E61-R95 IonicContact OE2-NE 2.91Å; E61-R95 IonicContact OE2-NH1 2.67Å; E61-R95 PolarHBondContact OE2-NH1 2.98Å; E61-R95 IonicContact OE2-NH2 2.71Å; E61-R95 PolarHBondContact OE2-NH2 3.41Å; E61-P124 HydrophobicContact CB-CG 4.27Å; E61-P124 HydrophobicContact CG-CB 4.49Å; E61-P124 HydrophobicContact CG-CG 3.86Å; E61-P124 WeakPolarHBondContact OE1-CB 3.16Å; E61-P124 WeakPolarHBondContact OE1-CG 3.46Å; E61-K125 WeakPolarHBondContact OE1-CD 3.35Å; E61-K125 WeakPolarHBondContact OE1-CE 3.36Å; E61-K125 IonicContact OE1-NZ 2.74Å; E61-K125 PolarHBondContact OE1-NZ 3.38Å; E61-K125 IonicContact OE2-NZ 2.83Å
62	D	96	Very high	97.3	Very high	91 Å²	91	45.8 Å²	45.8	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.1	-164.8	-70.1	-17.2	0	0	0	115	V64 K125	D62-V64 PolarHBondContact O-N 3.47Å; D62-K125 IonicContact OD1-NZ 3.66Å; D62-K125 IonicContact OD2-NZ 3.77Å; D62-K125 PolarHBondContact OD2-NZ 3.04Å
63	G	94	Very high	97.5	Very high	40 Å²	40	39.9 Å²	39.9	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.1	172.6	0	0	0	0	0	114.1	P38 D59 E61	P38-G63 WeakPolarHBondContact CB-O 3.48Å; D59-G63 WeakPolarHBondContact OD2-CA 3.4Å; D59-G63 PolarHBondContact OD2-N 3.32Å; E61-G63 VanDerWaalsContact C-N 3.26Å; E61-G63 PolarHBondContact O-N 3.21Å; E61-G63 VanDerWaalsContact O-N 3.15Å
64	V	98.3	Very high	97.5	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.036	22%	0.221	C	C	.	.	S	Bend	trans	-120.4	122.4	-177.1	178.4	0	0	0	0	110.6	P38 D59 E61 D62 R68 K69 A72	P38-V64 HydrophobicContact CB-CG2 4.21Å; D59-V64 WeakPolarHBondContact O-CG2 3.38Å; E61-V64 PolarHBondContact O-N 3.27Å; D62-V64 PolarHBondContact O-N 3.47Å; V64-R68 HydrophobicContact CG1-CB 3.91Å; V64-K69 HydrophobicContact CB-CD 4.28Å; V64-K69 HydrophobicContact CG1-CD 3.94Å; V64-K69 HydrophobicContact CG1-CG 4.44Å; V64-K69 WeakPolarHBondContact O-CE 3.44Å; V64-K69 PolarHBondContact O-NZ 3.4Å; V64-A72 HydrophobicContact CB-CB 4.48Å; V64-A72 HydrophobicContact CG1-CB 3.82Å; V64-A72 HydrophobicContact CG2-CB 3.98Å
65	A	97.2	Very high	97.6	Very high	56 Å²	56	43 Å²	43	46%	0.463	23%	0.225	S	C	.	.			trans	-60.5	147.4	173.8	0	0	0	0	0	111.8	N67 R68 K69	A65-N67 VanDerWaalsContact C-N 3.27Å; A65-N67 WeakPolarHBondContact CB-OD1 3.35Å; A65-N67 PolarHBondContact O-N 3.09Å; A65-N67 VanDerWaalsContact O-N 3.16Å; A65-R68 HydrophobicContact CB-CB 4.5Å; A65-R68 HydrophobicContact CB-CG 4.28Å; A65-R68 WeakPolarHBondContact O-CA 3.34Å; A65-R68 WeakPolarHBondContact O-CB 3.23Å; A65-R68 PolarHBondContact O-N 3.43Å; A65-K69 PolarHBondContact O-N 3.47Å
66	I	97.1	Very high	97.6	Very high	127 Å²	127	43 Å²	43	65%	0.651	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-53.6	-40.9	-175.1	-169.6	63.1	0	0	0	113.4	R68 K69 L103	I66-R68 PolarHBondContact O-N 3.01Å; I66-K69 HydrophobicContact CD1-CG 4.23Å; I66-K69 VanDerWaalsContact O-CG 3.28Å; I66-K69 WeakPolarHBondContact O-CG 3.21Å; I66-K69 PolarHBondContact O-N 2.99Å; I66-L103 HydrophobicContact CD1-CD1 3.78Å
67	N	97.6	Very high	97.5	Very high	136 Å²	136	43.5 Å²	43.5	73%	0.727	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-73.8	-6.5	179.2	65.9	-28	0	0	0	113.9	A65	A65-N67 VanDerWaalsContact C-N 3.27Å; A65-N67 WeakPolarHBondContact CB-OD1 3.35Å; A65-N67 PolarHBondContact O-N 3.09Å; A65-N67 VanDerWaalsContact O-N 3.16Å
68	R	98.3	Very high	97.3	Very high	97 Å²	97	50.6 Å²	50.6	37%	0.366	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-111.5	-1	-179.7	-61.6	-82.4	-71.4	-166.5	10	112.4	S40 V64 A65 I66 R70 E71 A72	S40-R68 PolarHBondContact O-NH2 3Å; V64-R68 HydrophobicContact CG1-CB 3.91Å; A65-R68 HydrophobicContact CB-CB 4.5Å; A65-R68 HydrophobicContact CB-CG 4.28Å; A65-R68 WeakPolarHBondContact O-CA 3.34Å; A65-R68 WeakPolarHBondContact O-CB 3.23Å; A65-R68 PolarHBondContact O-N 3.43Å; I66-R68 PolarHBondContact O-N 3.01Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.95Å; R68-E71 WeakPolarHBondContact CD-OE2 3.27Å; R68-E71 IonicContact CZ-OE1 3.28Å; R68-E71 VanDerWaalsContact CZ-OE1 3.28Å; R68-E71 IonicContact CZ-OE2 2.8Å; R68-E71 IonicContact NE-OE1 3.99Å; R68-E71 IonicContact NE-OE2 3.01Å; R68-E71 PolarHBondContact NE-OE2 3.06Å; R68-E71 IonicContact NH1-OE1 3.69Å; R68-E71 IonicContact NH1-OE2 3.05Å; R68-E71 PolarHBondContact NH1-OE2 3.44Å; R68-E71 IonicContact NH2-OE1 2.71Å; R68-E71 PolarHBondContact NH2-OE1 3.28Å; R68-E71 IonicContact NH2-OE2 3.15Å; R68-E71 PolarHBondContact NH2-OE2 3.21Å; R68-E71 VanDerWaalsContact NH2-OE2 3.15Å; R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.49Å; R68-A72 PolarHBondContact O-N 3.38Å
69	K	98.2	Very high	97.2	Very high	17 Å²	17	52.2 Å²	52.2	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-41.9	-178.6	-65.6	-72	-179.6	173	0	112.9	C60 E61 V64 A65 I66 A72 R73 N97 L103	C60-K69 WeakPolarHBondContact O-CD 3.39Å; C60-K69 PolarHBondContact O-NZ 3.44Å; E61-K69 VanDerWaalsContact CA-NZ 3.31Å; E61-K69 PolarHBondContact O-NZ 3.41Å; V64-K69 HydrophobicContact CB-CD 4.28Å; V64-K69 HydrophobicContact CG1-CD 3.94Å; V64-K69 HydrophobicContact CG1-CG 4.44Å; V64-K69 WeakPolarHBondContact O-CE 3.44Å; V64-K69 PolarHBondContact O-NZ 3.4Å; A65-K69 PolarHBondContact O-N 3.47Å; I66-K69 HydrophobicContact CD1-CG 4.23Å; I66-K69 VanDerWaalsContact O-CG 3.28Å; I66-K69 WeakPolarHBondContact O-CG 3.21Å; I66-K69 PolarHBondContact O-N 2.99Å; K69-A72 WeakPolarHBondContact O-CB 3.34Å; K69-A72 PolarHBondContact O-N 3.1Å; K69-R73 WeakPolarHBondContact O-CG 3.07Å; K69-R73 PolarHBondContact O-N 3.46Å; K69-N97 PolarHBondContact NZ-OD1 3.37Å; K69-L103 HydrophobicContact CD-CD1 4.43Å; K69-L103 HydrophobicContact CG-CD1 4.32Å
70	R	97.7	Very high	97	Very high	188 Å²	188	53.5 Å²	53.5	71%	0.709	28%	0.276	S	S	*	.	H	α-helix	trans	-61.3	-47.3	176.5	-172	179.7	-177.6	-175.5	1	112	R68 A72 R73 S74	R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 2.95Å; R70-A72 VanDerWaalsContact C-N 3.3Å; R70-A72 PolarHBondContact O-N 3.43Å; R70-R73 PolarHBondContact O-N 3.5Å; R70-S74 PolarHBondContact O-N 3.46Å; R70-S74 PolarHBondContact O-OG 2.86Å
71	E	98.2	Very high	96.7	Very high	58 Å²	58	56.8 Å²	56.8	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-41.4	176.3	-176.8	-177.6	163.2	0	0	111.5	R68 R73 S74 N75	R68-E71 WeakPolarHBondContact CD-OE2 3.27Å; R68-E71 IonicContact CZ-OE1 3.28Å; R68-E71 VanDerWaalsContact CZ-OE1 3.28Å; R68-E71 IonicContact CZ-OE2 2.8Å; R68-E71 IonicContact NE-OE1 3.99Å; R68-E71 IonicContact NE-OE2 3.01Å; R68-E71 PolarHBondContact NE-OE2 3.06Å; R68-E71 IonicContact NH1-OE1 3.69Å; R68-E71 IonicContact NH1-OE2 3.05Å; R68-E71 PolarHBondContact NH1-OE2 3.44Å; R68-E71 IonicContact NH2-OE1 2.71Å; R68-E71 PolarHBondContact NH2-OE1 3.28Å; R68-E71 IonicContact NH2-OE2 3.15Å; R68-E71 PolarHBondContact NH2-OE2 3.21Å; R68-E71 VanDerWaalsContact NH2-OE2 3.15Å; R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.49Å; E71-R73 PolarHBondContact O-N 3.33Å; E71-S74 PolarHBondContact O-N 3.43Å; E71-N75 WeakPolarHBondContact O-CB 3.43Å; E71-N75 VanDerWaalsContact O-CG 3.28Å; E71-N75 PolarHBondContact O-N 2.87Å; E71-N75 PolarHBondContact O-ND2 3.38Å
72	A	98.4	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-47.1	174.8	0	0	0	0	0	112.3	A39 V64 R68 K69 R70 N75 V76	A39-A72 HydrophobicContact CB-CB 3.91Å; V64-A72 HydrophobicContact CB-CB 4.48Å; V64-A72 HydrophobicContact CG1-CB 3.82Å; V64-A72 HydrophobicContact CG2-CB 3.98Å; R68-A72 PolarHBondContact O-N 3.38Å; K69-A72 WeakPolarHBondContact O-CB 3.34Å; K69-A72 PolarHBondContact O-N 3.1Å; R70-A72 VanDerWaalsContact C-N 3.3Å; R70-A72 PolarHBondContact O-N 3.43Å; A72-N75 PolarHBondContact O-N 3.15Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 3.37Å
73	R	97.8	Very high	95.6	Very high	10 Å²	10	59.7 Å²	59.7	4%	0.038	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-46.5	176.7	-66.9	167.9	-166.6	140	-3.3	112.1	K69 R70 E71 N75 V76 A77 E106 D107 E110 V111	K69-R73 WeakPolarHBondContact O-CG 3.07Å; K69-R73 PolarHBondContact O-N 3.46Å; R70-R73 PolarHBondContact O-N 3.5Å; E71-R73 PolarHBondContact O-N 3.33Å; R73-N75 VanDerWaalsContact C-N 3.27Å; R73-N75 PolarHBondContact O-N 3.1Å; R73-V76 PolarHBondContact O-N 2.95Å; R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.43Å; R73-E106 VanDerWaalsContact CZ-CB 3.47Å; R73-E106 IonicContact CZ-OE2 3.57Å; R73-E106 IonicContact NH1-OE2 2.71Å; R73-E106 PolarHBondContact NH1-OE2 3.38Å; R73-E106 IonicContact NH2-OE2 2.92Å; R73-E106 PolarHBondContact NH2-OE2 3.25Å; R73-D107 IonicContact CZ-OD1 3.42Å; R73-D107 VanDerWaalsContact CZ-OD1 3.3Å; R73-D107 IonicContact NE-OD1 3.84Å; R73-D107 PolarHBondContact NE-OD1 3.04Å; R73-D107 IonicContact NH2-OD1 2.73Å; R73-D107 PolarHBondContact NH2-OD1 2.96Å; R73-D107 VanDerWaalsContact NH2-OD1 3.08Å; R73-E110 HydrophobicContact CB-CB 4.1Å; R73-E110 VanDerWaalsContact CB-CD 3.42Å; R73-E110 HydrophobicContact CB-CG 3.98Å; R73-E110 WeakPolarHBondContact CB-OE2 3.32Å; R73-V111 HydrophobicContact CB-CG2 4.38Å
74	S	97	Very high	95	Very high	51 Å²	51	64.4 Å²	64.4	36%	0.357	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-42.4	178.1	-62.6	0	0	0	0	111.3	R70 E71 A77 K78 E110	R70-S74 PolarHBondContact O-N 3.46Å; R70-S74 PolarHBondContact O-OG 2.86Å; E71-S74 PolarHBondContact O-N 3.43Å; S74-A77 PolarHBondContact O-N 2.88Å; S74-K78 WeakPolarHBondContact O-CB 3.37Å; S74-K78 PolarHBondContact O-N 3.19Å; S74-E110 WeakPolarHBondContact CA-OE1 3.43Å; S74-E110 WeakPolarHBondContact CB-OE1 3.41Å; S74-E110 PolarHBondContact N-OE1 3.02Å; S74-E110 PolarHBondContact OG-OE1 2.61Å
75	N	97.3	Very high	94.3	Very high	17 Å²	17	66.1 Å²	66.1	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-42	177.6	-73.6	-15.6	0	0	0	112.5	A39 L45 E71 A72 R73 K78 L79	A39-N75 WeakPolarHBondContact O-CB 3.26Å; A39-N75 PolarHBondContact O-ND2 3.26Å; L45-N75 HydrophobicContact CD1-CB 3.96Å; E71-N75 WeakPolarHBondContact O-CB 3.43Å; E71-N75 VanDerWaalsContact O-CG 3.28Å; E71-N75 PolarHBondContact O-N 2.87Å; E71-N75 PolarHBondContact O-ND2 3.38Å; A72-N75 PolarHBondContact O-N 3.15Å; R73-N75 VanDerWaalsContact C-N 3.27Å; R73-N75 PolarHBondContact O-N 3.1Å; N75-K78 PolarHBondContact O-N 3.38Å; N75-L79 WeakPolarHBondContact O-CB 3.48Å; N75-L79 VanDerWaalsContact O-CG 3.29Å; N75-L79 WeakPolarHBondContact O-CG 3.31Å; N75-L79 PolarHBondContact O-N 2.93Å
76	V	97.5	Very high	93.9	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-49.9	174	172.9	0	0	0	0	110.6	A39 L58 A72 R73 K78 L79 L80 W94 V111	A39-V76 HydrophobicContact CB-CG2 3.52Å; L58-V76 HydrophobicContact CB-CG2 3.91Å; L58-V76 HydrophobicContact CD1-CG1 4.38Å; L58-V76 HydrophobicContact CD1-CG2 4.25Å; A72-V76 WeakPolarHBondContact O-CG2 3.37Å; A72-V76 PolarHBondContact O-N 3.37Å; R73-V76 PolarHBondContact O-N 2.95Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 3.25Å; V76-L79 PolarHBondContact O-N 3.01Å; V76-L80 HydrophobicContact CG1-CD1 3.52Å; V76-L80 HydrophobicContact CG1-CG 4.01Å; V76-L80 WeakPolarHBondContact O-CB 2.82Å; V76-L80 WeakPolarHBondContact O-CG 3.47Å; V76-L80 PolarHBondContact O-N 3Å; V76-W94 HydrophobicContact CG1-CB 4.48Å; V76-W94 HydrophobicContact CG1-CD2 4.08Å; V76-W94 HydrophobicContact CG1-CG 3.84Å; V76-V111 HydrophobicContact CB-CG2 4.01Å; V76-V111 HydrophobicContact CG1-CB 4.48Å; V76-V111 HydrophobicContact CG1-CG1 3.74Å; V76-V111 HydrophobicContact CG1-CG2 3.85Å
77	A	96.1	Very high	93.5	Very high	12 Å²	12	66.7 Å²	66.7	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-55.3	-50.1	179.1	0	0	0	0	0	110.8	R73 S74 L79 L80 S81 V111	R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.43Å; S74-A77 PolarHBondContact O-N 2.88Å; A77-L79 PolarHBondContact O-N 3.43Å; A77-L80 PolarHBondContact O-N 2.66Å; A77-S81 VanDerWaalsContact O-CB 3.25Å; A77-S81 WeakPolarHBondContact O-CB 3.34Å; A77-S81 PolarHBondContact O-N 3.05Å; A77-S81 PolarHBondContact O-OG 3.18Å; A77-V111 HydrophobicContact CB-CG2 4.4Å
78	K	95	Very high	93.2	Very high	148 Å²	148	61.2 Å²	61.2	64%	0.643	33%	0.327	S	S	*	.	H	α-helix	trans	-60.3	-44.8	178.1	-179.2	-179.2	175.9	-175.9	0	112.8	S74 N75 V76 S81 S82	S74-K78 WeakPolarHBondContact O-CB 3.37Å; S74-K78 PolarHBondContact O-N 3.19Å; N75-K78 PolarHBondContact O-N 3.38Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 3.25Å; K78-S81 PolarHBondContact O-OG 3.41Å; K78-S82 WeakPolarHBondContact O-CB 3.32Å; K78-S82 PolarHBondContact O-N 3.08Å
79	L	95.6	Very high	93	Very high	34 Å²	34	57.3 Å²	57.3	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-69.3	-44.1	-178.5	-77.2	168.3	0	0	0	111.7	L45 L48 L58 N75 V76 A77 S82 T85	L45-L79 HydrophobicContact CB-CD1 4.32Å; L45-L79 HydrophobicContact CD1-CD1 3.86Å; L45-L79 HydrophobicContact CD2-CD1 3.7Å; L45-L79 HydrophobicContact CG-CD1 4.17Å; L48-L79 HydrophobicContact CD1-CD1 4.12Å; L48-L79 HydrophobicContact CD1-CD2 4.3Å; L58-L79 HydrophobicContact CD1-CB 4.31Å; L58-L79 HydrophobicContact CD1-CD1 4.25Å; L58-L79 HydrophobicContact CD2-CD1 4.24Å; N75-L79 WeakPolarHBondContact O-CB 3.48Å; N75-L79 VanDerWaalsContact O-CG 3.29Å; N75-L79 WeakPolarHBondContact O-CG 3.31Å; N75-L79 PolarHBondContact O-N 2.93Å; V76-L79 PolarHBondContact O-N 3.01Å; A77-L79 PolarHBondContact O-N 3.43Å; L79-S82 PolarHBondContact O-N 3.5Å; L79-T85 HydrophobicContact CD2-CG2 4.31Å; L79-T85 VanDerWaalsContact O-CB 3.32Å; L79-T85 WeakPolarHBondContact O-CB 3.29Å; L79-T85 PolarHBondContact O-OG1 3.49Å
80	L	94.3	Very high	92.7	Very high	31 Å²	31	61.6 Å²	61.6	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-74.4	-26.8	-178.5	-62.8	-179.4	0	0	0	112.5	L58 V76 A77 L92 W94 V111 A116 P118	L58-L80 HydrophobicContact CD1-CD2 4.1Å; L58-L80 HydrophobicContact CD1-CG 4.29Å; V76-L80 HydrophobicContact CG1-CD1 3.52Å; V76-L80 HydrophobicContact CG1-CG 4.01Å; V76-L80 WeakPolarHBondContact O-CB 2.82Å; V76-L80 WeakPolarHBondContact O-CG 3.47Å; V76-L80 PolarHBondContact O-N 3Å; A77-L80 PolarHBondContact O-N 2.66Å; L80-L92 HydrophobicContact CD2-CD2 4.26Å; L80-W94 HydrophobicContact CD1-CB 4.37Å; L80-V111 HydrophobicContact CD1-CG1 4.19Å; L80-A116 HydrophobicContact CB-CB 3.48Å; L80-A116 VanDerWaalsContact CB-CB 3.48Å; L80-P118 HydrophobicContact CD1-CB 3.84Å; L80-P118 HydrophobicContact CD2-CB 4.38Å
81	S	91.7	Very high	92.5	Very high	70 Å²	70	52.9 Å²	52.9	49%	0.49	30%	0.301	S	S	.	.	H	α-helix	trans	-84.6	-16.1	176.8	72.5	0	0	0	0	113.7	A77 K78 A83	A77-S81 VanDerWaalsContact O-CB 3.25Å; A77-S81 WeakPolarHBondContact O-CB 3.34Å; A77-S81 PolarHBondContact O-N 3.05Å; A77-S81 PolarHBondContact O-OG 3.18Å; K78-S81 PolarHBondContact O-OG 3.41Å; S81-A83 PolarHBondContact O-N 3.22Å
82	S	89.7	Confident	92.4	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	29%	0.291	S	S	.	.			trans	-81	119	-176.2	168.1	0	0	0	0	111.2	K78 L79 D84 T85	K78-S82 WeakPolarHBondContact O-CB 3.32Å; K78-S82 PolarHBondContact O-N 3.08Å; L79-S82 PolarHBondContact O-N 3.5Å; S82-D84 PolarHBondContact O-N 2.89Å; S82-D84 PolarHBondContact OG-N 3.43Å; S82-T85 WeakPolarHBondContact CB-OG1 3.26Å; S82-T85 WeakPolarHBondContact O-CB 3.48Å; S82-T85 PolarHBondContact O-N 2.9Å; S82-T85 VanDerWaalsContact O-N 3.16Å; S82-T85 PolarHBondContact O-OG1 3.24Å
83	A	79.8	Confident	92.4	Very high	107 Å²	107	50.8 Å²	50.8	88%	0.884	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	173.5	0	0	0	0	0	112.9	S81	S81-A83 PolarHBondContact O-N 3.22Å
84	D	81.5	Confident	92.4	Very high	139 Å²	139	50.3 Å²	50.3	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.2	-179.3	-66.9	-43.2	0	0	0	113.6	S82 K86	S82-D84 PolarHBondContact O-N 2.89Å; S82-D84 PolarHBondContact OG-N 3.43Å; D84-K86 PolarHBondContact O-N 3.34Å
85	T	84.6	Confident	92.4	Very high	43 Å²	43	48.9 Å²	48.9	26%	0.264	28%	0.276	S	S	.	.			trans	-64.2	109.5	-179.5	-67.9	0	0	0	0	110.3	L79 S82 L92	L79-T85 HydrophobicContact CD2-CG2 4.31Å; L79-T85 VanDerWaalsContact O-CB 3.32Å; L79-T85 WeakPolarHBondContact O-CB 3.29Å; L79-T85 PolarHBondContact O-OG1 3.49Å; S82-T85 WeakPolarHBondContact CB-OG1 3.26Å; S82-T85 WeakPolarHBondContact O-CB 3.48Å; S82-T85 PolarHBondContact O-N 2.9Å; S82-T85 VanDerWaalsContact O-N 3.16Å; S82-T85 PolarHBondContact O-OG1 3.24Å; T85-L92 HydrophobicContact CG2-CD2 4.09Å
86	K	88.4	Confident	92.5	Very high	158 Å²	158	48 Å²	48	69%	0.687	27%	0.272	S	S	*	.			trans	-94.8	121.9	174.1	-67.3	179.5	-174.8	179.1	0	109	P49 D84	P49-K86 HydrophobicContact CB-CB 4.21Å; P49-K86 HydrophobicContact CG-CB 3.97Å; P49-K86 WeakPolarHBondContact CG-O 3.35Å; D84-K86 PolarHBondContact O-N 3.34Å
87	C	89.9	Confident	92.5	Very high	37 Å²	37	48.2 Å²	48.2	25%	0.25	27%	0.273	C	S	.	.			trans	-120.5	134.4	168.2	-165.7	0	0	0	0	108.7	A89 L92	C87-A89 VanDerWaalsContact SG-CB 3.54Å; C87-L92 HydrophobicContact CB-CB 4.5Å; C87-L92 HydrophobicContact CB-CD2 4.41Å
88	G	90.9	Very high	92.6	Very high	21 Å²	21	47.9 Å²	47.9	22%	0.216	27%	0.27	C	S	.	.	S	Bend	trans	-77.3	-11.5	174.2	0	0	0	0	0	113.2	L48 P49 L51	L48-G88 PolarHBondContact O-N 3.03Å; P49-G88 WeakPolarHBondContact O-CA 3.45Å; L51-G88 CarbonylContact O-C 2.82Å; L51-G88 WeakPolarHBondContact O-CA 3.41Å
89	A	93	Very high	92.8	Very high	15 Å²	15	42.3 Å²	42.3	12%	0.124	25%	0.248	C	C	.	.	S	Bend	trans	-80.6	158	-178.6	0	0	0	0	0	111.5	L51 A53 V56 C87 E91	L51-A89 PolarHBondContact O-N 2.97Å; A53-A89 WeakPolarHBondContact O-CA 3.45Å; A53-A89 WeakPolarHBondContact O-CB 3.33Å; V56-A89 HydrophobicContact CB-CB 3.95Å; V56-A89 HydrophobicContact CG2-CB 3.56Å; C87-A89 VanDerWaalsContact SG-CB 3.54Å; A89-E91 VanDerWaalsContact C-N 3.32Å
90	K	92.1	Very high	92.8	Very high	107 Å²	107	44.6 Å²	44.6	47%	0.465	27%	0.267	S	S	.	.	S	Bend	trans	-74.2	-28.4	176	-58.5	179	178.9	173.3	0	111.9	V29 A53 D54 K323	V29-K90 HydrophobicContact CG1-CB 4.45Å; A53-K90 PolarHBondContact O-N 3.17Å; D54-K90 WeakPolarHBondContact O-CB 3.47Å; D54-K90 PolarHBondContact O-N 3.23Å; D54-K90 WeakPolarHBondContact OD1-CE 3.44Å; D54-K90 IonicContact OD1-NZ 2.96Å; D54-K90 PolarHBondContact OD1-NZ 2.91Å; K90-K323 PolarHBondContact NZ-O 3.19Å
91	E	94.8	Very high	92.9	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.023	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.8	177.9	-176.7	-179.9	-101.7	0	0	110.6	V29 R31 D54 C55 V56 A89 Q119 A120	V29-E91 HydrophobicContact CG1-CB 4.12Å; V29-E91 HydrophobicContact CG2-CB 4.32Å; R31-E91 IonicContact CZ-OE1 3.61Å; R31-E91 IonicContact CZ-OE2 2.66Å; R31-E91 IonicContact NE-OE1 3.73Å; R31-E91 PolarHBondContact NE-OE1 3.46Å; R31-E91 IonicContact NE-OE2 3.84Å; R31-E91 PolarHBondContact NE-OE2 3.37Å; R31-E91 IonicContact NH2-OE1 2.7Å; R31-E91 PolarHBondContact NH2-OE1 2.77Å; R31-E91 IonicContact NH2-OE2 2.92Å; D54-E91 PolarHBondContact O-N 2.89Å; C55-E91 WeakPolarHBondContact CA-O 3.3Å; C55-E91 HydrophobicContact CB-CB 4.37Å; C55-E91 PolarHBondContact SG-OE2 3.41Å; V56-E91 PolarHBondContact N-O 3.47Å; A89-E91 VanDerWaalsContact C-N 3.32Å; E91-Q119 HydrophobicContact CG-CB 3.96Å; E91-A120 HydrophobicContact CG-CB 4.07Å
92	L	96.2	Very high	93.2	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	101.2	170.2	-175.5	65	0	0	0	108.7	L48 V56 L58 L80 T85 C87 Q119	L48-L92 HydrophobicContact CD2-CD1 4.14Å; V56-L92 HydrophobicContact CB-CD1 4.3Å; V56-L92 HydrophobicContact CG1-CD1 4.06Å; V56-L92 CarbonylContact O-C 3.57Å; V56-L92 WeakPolarHBondContact O-CA 3.34Å; L58-L92 HydrophobicContact CD1-CD1 4.36Å; L58-L92 HydrophobicContact CD1-CD2 4.41Å; L58-L92 HydrophobicContact CD1-CG 4.39Å; L58-L92 HydrophobicContact CD2-CD1 3.92Å; L58-L92 HydrophobicContact CG-CD1 3.86Å; L58-L92 HydrophobicContact CG-CG 4.35Å; L80-L92 HydrophobicContact CD2-CD2 4.26Å; T85-L92 HydrophobicContact CG2-CD2 4.09Å; C87-L92 HydrophobicContact CB-CB 4.5Å; C87-L92 HydrophobicContact CB-CD2 4.41Å; L92-Q119 WeakPolarHBondContact O-CB 3.45Å; L92-Q119 PolarHBondContact O-N 3.49Å
93	G	96.9	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	175.9	177.1	0	0	0	0	0	113.5	V56 L58 A120	V56-G93 PolarHBondContact O-N 2.99Å; L58-G93 PolarHBondContact N-O 2.9Å; G93-A120 CarbonylContact C-O 3.53Å; G93-A120 WeakPolarHBondContact CA-O 3.5Å
94	W	97.9	Very high	94.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.3	-178.5	170.7	37.9	0	0	0	110.9	C60 V76 L80 L96 D107 L108 V111 P118 A120 M122	C60-W94 PolarHBondContact SG-NE1 3.44Å; C60-W94 VanDerWaalsContact SG-NE1 3.38Å; V76-W94 HydrophobicContact CG1-CB 4.48Å; V76-W94 HydrophobicContact CG1-CD2 4.08Å; V76-W94 HydrophobicContact CG1-CG 3.84Å; L80-W94 HydrophobicContact CD1-CB 4.37Å; W94-L96 HydrophobicContact CD2-CG 4.14Å; W94-L96 HydrophobicContact CE3-CD2 4.2Å; W94-L96 HydrophobicContact CE3-CG 4.23Å; W94-L96 HydrophobicContact CH2-CD2 3.46Å; W94-L96 VanDerWaalsContact CH2-CD2 3.46Å; W94-L96 HydrophobicContact CH2-CG 4.05Å; W94-L96 HydrophobicContact CZ2-CD2 3.84Å; W94-L96 HydrophobicContact CZ2-CG 3.96Å; W94-L96 HydrophobicContact CZ3-CD2 3.68Å; W94-L96 HydrophobicContact CZ3-CG 4.19Å; W94-D107 HydrophobicContact CH2-CB 4.3Å; W94-D107 HydrophobicContact CZ2-CB 3.82Å; W94-L108 HydrophobicContact CH2-CD2 4.2Å; W94-L108 HydrophobicContact CZ3-CD2 4.37Å; W94-V111 HydrophobicContact CD2-CG1 4.22Å; W94-V111 HydrophobicContact CE3-CG1 3.95Å; W94-V111 HydrophobicContact CH2-CB 3.42Å; W94-V111 VanDerWaalsContact CH2-CB 3.42Å; W94-V111 HydrophobicContact CH2-CG1 3.69Å; W94-V111 HydrophobicContact CH2-CG2 3.91Å; W94-V111 HydrophobicContact CZ2-CB 3.59Å; W94-V111 HydrophobicContact CZ2-CG1 3.94Å; W94-V111 HydrophobicContact CZ2-CG2 3.5Å; W94-V111 VanDerWaalsContact CZ2-CG2 3.5Å; W94-V111 HydrophobicContact CZ3-CB 3.96Å; W94-V111 HydrophobicContact CZ3-CG1 3.69Å; W94-P118 HydrophobicContact CB-CB 4.04Å; W94-P118 HydrophobicContact CB-CG 4.48Å; W94-P118 HydrophobicContact CE3-CG 4.27Å; W94-A120 PolarHBondContact N-O 2.57Å; W94-M122 PolarHBondContact N-SD 3.32Å; W94-M122 VanDerWaalsContact N-SD 3.37Å; W94-M122 PolarHBondContact O-N 2.74Å
95	R	98.5	Very high	95.2	Very high	21 Å²	21	36.3 Å²	36.3	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.6	171.8	-171.1	168	78.6	142.7	8	110.4	V57 L58 D59 C60 E61 M122 P124 W155	V57-R95 HydrophobicContact CG1-CB 3.62Å; L58-R95 PolarHBondContact O-N 3.19Å; D59-R95 IonicContact OD1-CZ 2.93Å; D59-R95 IonicContact OD1-NE 3.38Å; D59-R95 PolarHBondContact OD1-NE 2.91Å; D59-R95 IonicContact OD1-NH2 2.89Å; D59-R95 PolarHBondContact OD1-NH2 2.84Å; D59-R95 IonicContact OD2-CZ 3.35Å; D59-R95 IonicContact OD2-NE 2.85Å; D59-R95 IonicContact OD2-NH2 3.92Å; D59-R95 PolarHBondContact OD2-NH2 2.87Å; C60-R95 VanDerWaalsContact CB-O 3.3Å; C60-R95 WeakPolarHBondContact CB-O 3.48Å; C60-R95 PolarHBondContact N-O 3.01Å; E61-R95 HydrophobicContact CB-CG 4.32Å; E61-R95 IonicContact OE2-CZ 3.83Å; E61-R95 IonicContact OE2-NE 2.91Å; E61-R95 IonicContact OE2-NH1 2.67Å; E61-R95 PolarHBondContact OE2-NH1 2.98Å; E61-R95 IonicContact OE2-NH2 2.71Å; E61-R95 PolarHBondContact OE2-NH2 3.41Å; R95-M122 WeakPolarHBondContact CA-O 3.3Å; R95-M122 HydrophobicContact CB-CB 3.72Å; R95-M122 HydrophobicContact CG-CB 3.96Å; R95-P124 HydrophobicContact CG-CG 4.32Å; R95-W155 HydrophobicContact CG-CH2 4.44Å
96	L	98	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-79.9	165.7	172.8	-37.2	89.4	0	0	0	110	W94 L104 D107 L108 V121 M122 P124	W94-L96 HydrophobicContact CD2-CG 4.14Å; W94-L96 HydrophobicContact CE3-CD2 4.2Å; W94-L96 HydrophobicContact CE3-CG 4.23Å; W94-L96 HydrophobicContact CH2-CD2 3.46Å; W94-L96 VanDerWaalsContact CH2-CD2 3.46Å; W94-L96 HydrophobicContact CH2-CG 4.05Å; W94-L96 HydrophobicContact CZ2-CD2 3.84Å; W94-L96 HydrophobicContact CZ2-CG 3.96Å; W94-L96 HydrophobicContact CZ3-CD2 3.68Å; W94-L96 HydrophobicContact CZ3-CG 4.19Å; L96-L104 HydrophobicContact CB-CD1 3.75Å; L96-L104 HydrophobicContact CD2-CD1 3.59Å; L96-L104 HydrophobicContact CG-CD1 4.21Å; L96-D107 WeakPolarHBondContact CA-OD2 3.27Å; L96-D107 HydrophobicContact CB-CB 4.4Å; L96-D107 HydrophobicContact CD2-CB 4.5Å; L96-L108 HydrophobicContact CD2-CD2 3.63Å; L96-L108 HydrophobicContact CD2-CG 4.07Å; L96-V121 HydrophobicContact CD1-CG1 3.32Å; L96-M122 WeakPolarHBondContact CD1-O 3.45Å; L96-M122 PolarHBondContact N-O 2.96Å; L96-M122 VanDerWaalsContact N-O 3.1Å; L96-P124 WeakPolarHBondContact O-CD 3.41Å; L96-P124 WeakPolarHBondContact O-CG 3.41Å
97	N	98.5	Very high	96.2	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.7	153.2	164.4	-70.7	-82.8	0	0	0	110.7	C60 K69 L103 D107	C60-N97 PolarHBondContact O-ND2 3.31Å; C60-N97 PolarHBondContact O-OD1 3.5Å; C60-N97 VanDerWaalsContact O-OD1 3.14Å; K69-N97 PolarHBondContact NZ-OD1 3.37Å; N97-L103 HydrophobicContact CB-CB 3.68Å; N97-D107 WeakPolarHBondContact CB-OD2 2.9Å; N97-D107 PolarHBondContact N-OD2 3.45Å; N97-D107 VanDerWaalsContact ND2-CG 3.31Å; N97-D107 PolarHBondContact ND2-OD1 3.34Å; N97-D107 PolarHBondContact ND2-OD2 2.97Å
98	S	97.9	Very high	96.6	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.028	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-68.8	160	-178.4	69.9	0	0	0	0	112.7	S100 S101	S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3Å; S98-S100 PolarHBondContact OG-OG 3Å; S98-S101 PolarHBondContact O-N 3.3Å; S98-S101 PolarHBondContact O-OG 3.15Å; S98-S101 WeakPolarHBondContact OG-CB 3.25Å; S98-S101 PolarHBondContact OG-N 3.46Å
99	V	97.8	Very high	96.8	Very high	32 Å²	32	33.7 Å²	33.7	19%	0.194	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.1	-44.7	168.1	174.2	0	0	0	0	111	S101 G102 L104 D131 A135	V99-S101 PolarHBondContact O-N 3.31Å; V99-G102 PolarHBondContact O-N 2.94Å; V99-G102 VanDerWaalsContact O-N 3.15Å; V99-L104 HydrophobicContact CG2-CD2 3.68Å; V99-D131 HydrophobicContact CB-CB 4.46Å; V99-D131 HydrophobicContact CG2-CB 4.4Å; V99-A135 HydrophobicContact CG2-CB 3.99Å
100	S	96.4	Very high	97	Very high	82 Å²	82	35.6 Å²	35.6	57%	0.573	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-64.7	-22.7	-177.7	56.1	0	0	0	0	114.2	S98 G102	S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3Å; S98-S100 PolarHBondContact OG-OG 3Å; S100-G102 VanDerWaalsContact C-N 3.3Å
101	S	96.8	Very high	97.1	Very high	53 Å²	53	30.5 Å²	30.5	37%	0.371	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-74.9	-18.9	177	73.1	0	0	0	0	113.7	S98 V99 L103	S98-S101 PolarHBondContact O-N 3.3Å; S98-S101 PolarHBondContact O-OG 3.15Å; S98-S101 WeakPolarHBondContact OG-CB 3.25Å; S98-S101 PolarHBondContact OG-N 3.46Å; V99-S101 PolarHBondContact O-N 3.31Å; S101-L103 PolarHBondContact O-N 2.94Å; S101-L103 WeakPolarHBondContact OG-CB 3.49Å; S101-L103 PolarHBondContact OG-N 3.2Å; S101-L103 VanDerWaalsContact OG-N 3.11Å
102	G	96.9	Very high	96.9	Very high	59 Å²	59	30.3 Å²	30.3	61%	0.608	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	-0.9	-170.1	0	0	0	0	0	114.9	V99 S100	V99-G102 PolarHBondContact O-N 2.94Å; V99-G102 VanDerWaalsContact O-N 3.15Å; S100-G102 VanDerWaalsContact C-N 3.3Å
103	L	97.9	Very high	96.5	Very high	30 Å²	30	33.8 Å²	33.8	16%	0.157	20%	0.201	C	C	.	.			trans	-93.7	-10.2	-175.1	-62.2	177.1	0	0	0	114	I66 K69 N97 S101 E105 E106 D107	I66-L103 HydrophobicContact CD1-CD1 3.78Å; K69-L103 HydrophobicContact CD-CD1 4.43Å; K69-L103 HydrophobicContact CG-CD1 4.32Å; N97-L103 HydrophobicContact CB-CB 3.68Å; S101-L103 PolarHBondContact O-N 2.94Å; S101-L103 WeakPolarHBondContact OG-CB 3.49Å; S101-L103 PolarHBondContact OG-N 3.2Å; S101-L103 VanDerWaalsContact OG-N 3.11Å; L103-E105 VanDerWaalsContact C-N 3.28Å; L103-E105 PolarHBondContact O-N 2.9Å; L103-E106 WeakPolarHBondContact O-CB 3.46Å; L103-E106 PolarHBondContact O-N 3.39Å; L103-E106 VanDerWaalsContact O-N 3.11Å; L103-D107 PolarHBondContact O-N 3.12Å; L103-D107 VanDerWaalsContact O-N 3.14Å
104	L	97.8	Very high	96.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-40	-177.7	175.5	61	0	0	0	112.8	L96 V99 E106 D107 L108 A135 L138	L96-L104 HydrophobicContact CB-CD1 3.75Å; L96-L104 HydrophobicContact CD2-CD1 3.59Å; L96-L104 HydrophobicContact CG-CD1 4.21Å; V99-L104 HydrophobicContact CG2-CD2 3.68Å; L104-E106 VanDerWaalsContact C-N 3.33Å; L104-E106 PolarHBondContact O-N 3.01Å; L104-D107 WeakPolarHBondContact O-CB 3.48Å; L104-D107 PolarHBondContact O-N 3.38Å; L104-L108 HydrophobicContact CD1-CD1 4.08Å; L104-L108 HydrophobicContact CD1-CG 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.05Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 3.3Å; L104-L108 VanDerWaalsContact O-N 3.07Å; L104-A135 HydrophobicContact CD2-CB 3.83Å; L104-L138 HydrophobicContact CD2-CD1 4.01Å; L104-L138 HydrophobicContact CG-CD1 4.28Å
105	E	97.5	Very high	95.7	Very high	75 Å²	75	37.7 Å²	37.7	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-69.4	-33.4	-179.4	-159.7	-170.2	143.2	0	0	112.1	L103 L108 R109 Y142	L103-E105 VanDerWaalsContact C-N 3.28Å; L103-E105 PolarHBondContact O-N 2.9Å; E105-L108 PolarHBondContact O-N 3.32Å; E105-R109 VanDerWaalsContact O-CB 3.23Å; E105-R109 WeakPolarHBondContact O-CB 3.39Å; E105-R109 PolarHBondContact O-N 3.47Å; E105-R109 IonicContact OE1-NH2 3.08Å; E105-R109 PolarHBondContact OE1-NH2 3.29Å; E105-Y142 HydrophobicContact CG-CE2 3.56Å; E105-Y142 PolarHBondContact OE1-OH 2.8Å
106	E	97.6	Very high	95.2	Very high	78 Å²	78	37 Å²	37	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-67.8	-40.5	175.4	-64.9	-179.4	-174.3	0	0	111.5	R73 L103 L104 L108 R109 E110	R73-E106 VanDerWaalsContact CZ-CB 3.47Å; R73-E106 IonicContact CZ-OE2 3.57Å; R73-E106 IonicContact NH1-OE2 2.71Å; R73-E106 PolarHBondContact NH1-OE2 3.38Å; R73-E106 IonicContact NH2-OE2 2.92Å; R73-E106 PolarHBondContact NH2-OE2 3.25Å; L103-E106 WeakPolarHBondContact O-CB 3.46Å; L103-E106 PolarHBondContact O-N 3.39Å; L103-E106 VanDerWaalsContact O-N 3.11Å; L104-E106 VanDerWaalsContact C-N 3.33Å; L104-E106 PolarHBondContact O-N 3.01Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.84Å; E106-R109 PolarHBondContact O-N 3.48Å; E106-E110 PolarHBondContact O-N 3.03Å; E106-E110 VanDerWaalsContact O-N 3.08Å
107	D	97.8	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-49.8	173	-73	15.9	0	0	0	110.6	R73 W94 L96 N97 L103 L104 V111	R73-D107 IonicContact CZ-OD1 3.42Å; R73-D107 VanDerWaalsContact CZ-OD1 3.3Å; R73-D107 IonicContact NE-OD1 3.84Å; R73-D107 PolarHBondContact NE-OD1 3.04Å; R73-D107 IonicContact NH2-OD1 2.73Å; R73-D107 PolarHBondContact NH2-OD1 2.96Å; R73-D107 VanDerWaalsContact NH2-OD1 3.08Å; W94-D107 HydrophobicContact CH2-CB 4.3Å; W94-D107 HydrophobicContact CZ2-CB 3.82Å; L96-D107 WeakPolarHBondContact CA-OD2 3.27Å; L96-D107 HydrophobicContact CB-CB 4.4Å; L96-D107 HydrophobicContact CD2-CB 4.5Å; N97-D107 WeakPolarHBondContact CB-OD2 2.9Å; N97-D107 PolarHBondContact N-OD2 3.45Å; N97-D107 VanDerWaalsContact ND2-CG 3.31Å; N97-D107 PolarHBondContact ND2-OD1 3.34Å; N97-D107 PolarHBondContact ND2-OD2 2.97Å; L103-D107 PolarHBondContact O-N 3.12Å; L103-D107 VanDerWaalsContact O-N 3.14Å; L104-D107 WeakPolarHBondContact O-CB 3.48Å; L104-D107 PolarHBondContact O-N 3.38Å; D107-V111 WeakPolarHBondContact O-CB 3.39Å; D107-V111 PolarHBondContact O-N 2.86Å
108	L	97.2	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-69.8	-36.1	-179.8	-68.2	171.9	0	0	0	113.3	W94 L96 L104 E105 E106 E110 G112 L138 I139 Y142 M143	W94-L108 HydrophobicContact CH2-CD2 4.2Å; W94-L108 HydrophobicContact CZ3-CD2 4.37Å; L96-L108 HydrophobicContact CD2-CD2 3.63Å; L96-L108 HydrophobicContact CD2-CG 4.07Å; L104-L108 HydrophobicContact CD1-CD1 4.08Å; L104-L108 HydrophobicContact CD1-CG 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.05Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.39Å; L104-L108 PolarHBondContact O-N 3.3Å; L104-L108 VanDerWaalsContact O-N 3.07Å; E105-L108 PolarHBondContact O-N 3.32Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.84Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-G112 WeakPolarHBondContact O-CA 3.39Å; L108-G112 PolarHBondContact O-N 2.72Å; L108-L138 HydrophobicContact CD1-CB 3.54Å; L108-I139 HydrophobicContact CD1-CG1 4.01Å; L108-I139 HydrophobicContact CD2-CB 4.49Å; L108-I139 HydrophobicContact CD2-CG1 3.64Å; L108-I139 HydrophobicContact CG-CG1 4.47Å; L108-Y142 HydrophobicContact CB-CD2 4.02Å; L108-Y142 HydrophobicContact CB-CG 3.85Å; L108-Y142 HydrophobicContact CD1-CD2 4.35Å; L108-M143 HydrophobicContact CD2-SD 4.31Å
109	R	96.2	Very high	94.5	Very high	125 Å²	125	46.2 Å²	46.2	47%	0.472	28%	0.278	S	S	.	.	I	π-helix	trans	-64.8	-40.5	177.6	-172.3	-176.8	-59	136.4	2.8	111.4	E105 E106 A113 Y142	E105-R109 VanDerWaalsContact O-CB 3.23Å; E105-R109 WeakPolarHBondContact O-CB 3.39Å; E105-R109 PolarHBondContact O-N 3.47Å; E105-R109 IonicContact OE1-NH2 3.08Å; E105-R109 PolarHBondContact OE1-NH2 3.29Å; E106-R109 PolarHBondContact O-N 3.48Å; R109-A113 WeakPolarHBondContact O-CB 3.37Å; R109-A113 PolarHBondContact O-N 2.85Å; R109-Y142 HydrophobicContact CB-CE1 4.17Å; R109-Y142 HydrophobicContact CG-CE1 4.41Å
110	E	95.8	Very high	94.4	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	27%	0.269	S	S	.	.	I	π-helix	trans	-83.7	-51.9	-177.1	-170.5	166.8	167.7	0	0	112.1	R73 S74 E106 L108	R73-E110 HydrophobicContact CB-CB 4.1Å; R73-E110 VanDerWaalsContact CB-CD 3.42Å; R73-E110 HydrophobicContact CB-CG 3.98Å; R73-E110 WeakPolarHBondContact CB-OE2 3.32Å; S74-E110 WeakPolarHBondContact CA-OE1 3.43Å; S74-E110 WeakPolarHBondContact CB-OE1 3.41Å; S74-E110 PolarHBondContact N-OE1 3.02Å; S74-E110 PolarHBondContact OG-OE1 2.61Å; E106-E110 PolarHBondContact O-N 3.03Å; E106-E110 VanDerWaalsContact O-N 3.08Å; L108-E110 VanDerWaalsContact C-N 3.34Å
111	V	95	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-77.2	-40.5	-177.5	-178.8	0	0	0	0	111	R73 V76 A77 L80 W94 D107 A113 S114	R73-V111 HydrophobicContact CB-CG2 4.38Å; V76-V111 HydrophobicContact CB-CG2 4.01Å; V76-V111 HydrophobicContact CG1-CB 4.48Å; V76-V111 HydrophobicContact CG1-CG1 3.74Å; V76-V111 HydrophobicContact CG1-CG2 3.85Å; A77-V111 HydrophobicContact CB-CG2 4.4Å; L80-V111 HydrophobicContact CD1-CG1 4.19Å; W94-V111 HydrophobicContact CD2-CG1 4.22Å; W94-V111 HydrophobicContact CE3-CG1 3.95Å; W94-V111 HydrophobicContact CH2-CB 3.42Å; W94-V111 VanDerWaalsContact CH2-CB 3.42Å; W94-V111 HydrophobicContact CH2-CG1 3.69Å; W94-V111 HydrophobicContact CH2-CG2 3.91Å; W94-V111 HydrophobicContact CZ2-CB 3.59Å; W94-V111 HydrophobicContact CZ2-CG1 3.94Å; W94-V111 HydrophobicContact CZ2-CG2 3.5Å; W94-V111 VanDerWaalsContact CZ2-CG2 3.5Å; W94-V111 HydrophobicContact CZ3-CB 3.96Å; W94-V111 HydrophobicContact CZ3-CG1 3.69Å; D107-V111 WeakPolarHBondContact O-CB 3.39Å; D107-V111 PolarHBondContact O-N 2.86Å; V111-A113 PolarHBondContact O-N 3.28Å; V111-S114 WeakPolarHBondContact O-CB 3.23Å; V111-S114 PolarHBondContact O-N 3.06Å; V111-S114 PolarHBondContact O-OG 3.5Å
112	G	90.2	Very high	94.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	23%	0.225	C	C	.	.	I	π-helix	trans	-65.5	-35.9	176.1	0	0	0	0	0	112.8	L108 S114 G115 Y145	L108-G112 WeakPolarHBondContact O-CA 3.39Å; L108-G112 PolarHBondContact O-N 2.72Å; G112-S114 PolarHBondContact O-N 3.5Å; G112-G115 PolarHBondContact O-N 3.37Å; G112-G115 VanDerWaalsContact O-N 3.17Å; G112-Y145 WeakPolarHBondContact CA-OH 3.44Å; G112-Y145 WeakPolarHBondContact O-CE1 3.45Å; G112-Y145 PolarHBondContact O-OH 3.22Å
113	A	87.3	Confident	94.6	Very high	86 Å²	86	35.6 Å²	35.6	71%	0.711	20%	0.196	S	C	*	.	H	α-helix	trans	-66.3	-19.2	175.3	0	0	0	0	0	113.7	R109 V111 G115	R109-A113 WeakPolarHBondContact O-CB 3.37Å; R109-A113 PolarHBondContact O-N 2.85Å; V111-A113 PolarHBondContact O-N 3.28Å; A113-G115 PolarHBondContact O-N 2.85Å
114	S	89.2	Confident	94.6	Very high	43 Å²	43	34.2 Å²	34.2	30%	0.301	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13	176	77	0	0	0	0	113.4	V111 G112 A116	V111-S114 WeakPolarHBondContact O-CB 3.23Å; V111-S114 PolarHBondContact O-N 3.06Å; V111-S114 PolarHBondContact O-OG 3.5Å; G112-S114 PolarHBondContact O-N 3.5Å; S114-A116 PolarHBondContact O-N 3.45Å; S114-A116 WeakPolarHBondContact OG-CB 3.37Å; S114-A116 PolarHBondContact OG-N 3.44Å
115	G	89.5	Confident	94.6	Very high	40 Å²	40	35.8 Å²	35.8	41%	0.412	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-1.2	-173.7	0	0	0	0	0	113.7	G112 A113 Y145	G112-G115 PolarHBondContact O-N 3.37Å; G112-G115 VanDerWaalsContact O-N 3.17Å; A113-G115 PolarHBondContact O-N 2.85Å; G115-Y145 VanDerWaalsContact O-CE2 3.24Å; G115-Y145 WeakPolarHBondContact O-CE2 3.31Å
116	A	87.6	Confident	94.7	Very high	7 Å²	7	32.3 Å²	32.3	6%	0.058	18%	0.179	C	C	.	.			trans	-69.6	147.8	179.2	0	0	0	0	0	111.6	L80 S114 M143 Y145	L80-A116 HydrophobicContact CB-CB 3.48Å; L80-A116 VanDerWaalsContact CB-CB 3.48Å; S114-A116 PolarHBondContact O-N 3.45Å; S114-A116 WeakPolarHBondContact OG-CB 3.37Å; S114-A116 PolarHBondContact OG-N 3.44Å; A116-M143 WeakPolarHBondContact O-CE 3.41Å; A116-Y145 PolarHBondContact O-OH 2.93Å; A116-Y145 VanDerWaalsContact O-OH 3.06Å
117	I	92	Very high	94.7	Very high	89 Å²	89	30.5 Å²	30.5	46%	0.456	17%	0.172	S	C	.	.			trans	-122	110.3	179.1	-59.6	177.6	0	0	0	107.4	Y145 V146 I150	I117-Y145 HydrophobicContact CD1-CD2 4.2Å; I117-Y145 HydrophobicContact CD1-CE2 4.37Å; I117-Y145 HydrophobicContact CG1-CD2 4.09Å; I117-Y145 HydrophobicContact CG1-CE2 3.75Å; I117-V146 HydrophobicContact CD1-CG2 4.38Å; I117-V146 HydrophobicContact CG1-CG2 4.22Å; I117-I150 HydrophobicContact CG2-CD1 3.81Å; I117-I150 HydrophobicContact CG2-CG1 4Å
118	P	93.3	Very high	94.7	Very high	3 Å²	3	31 Å²	31	2%	0.019	18%	0.176	C	C	.	.			trans	-68	155.8	174	31.5	-36.5	0	0	0	110.7	L80 W94 A120 V121 I150	L80-P118 HydrophobicContact CD1-CB 3.84Å; L80-P118 HydrophobicContact CD2-CB 4.38Å; W94-P118 HydrophobicContact CB-CB 4.04Å; W94-P118 HydrophobicContact CB-CG 4.48Å; W94-P118 HydrophobicContact CE3-CG 4.27Å; P118-A120 WeakPolarHBondContact CB-O 3.23Å; P118-A120 PolarHBondContact O-N 3.06Å; P118-V121 HydrophobicContact CG-CG2 3.64Å; P118-I150 WeakPolarHBondContact O-CG2 3.12Å
119	Q	95	Very high	94.7	Very high	108 Å²	108	32.8 Å²	32.8	51%	0.505	19%	0.187	S	C	.	.	S	Bend	trans	-72.8	-22.1	176.3	-62.7	-178.9	-57.1	0	0	112.2	E91 L92 P151	E91-Q119 HydrophobicContact CG-CB 3.96Å; L92-Q119 WeakPolarHBondContact O-CB 3.45Å; L92-Q119 PolarHBondContact O-N 3.49Å; Q119-P151 WeakPolarHBondContact O-CD 3.01Å
120	A	96.3	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	149.4	172.6	0	0	0	0	0	110.8	E91 G93 W94 P118 M122 P151 I153	E91-A120 HydrophobicContact CG-CB 4.07Å; G93-A120 CarbonylContact C-O 3.53Å; G93-A120 WeakPolarHBondContact CA-O 3.5Å; W94-A120 PolarHBondContact N-O 2.57Å; P118-A120 WeakPolarHBondContact CB-O 3.23Å; P118-A120 PolarHBondContact O-N 3.06Å; A120-M122 HydrophobicContact CB-CE 3.77Å; A120-M122 HydrophobicContact CB-SD 4.17Å; A120-P151 CarbonylContact C-O 3.56Å; A120-P151 WeakPolarHBondContact CA-O 3.33Å; A120-P151 HydrophobicContact CB-CB 4.19Å; A120-I153 HydrophobicContact CB-CD1 3.64Å
121	V	97.1	Very high	94.8	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	176.4	175.5	0	0	0	0	108.9	L96 P118 I139 I150 P151 L152 I153 L181	L96-V121 HydrophobicContact CD1-CG1 3.32Å; P118-V121 HydrophobicContact CG-CG2 3.64Å; V121-I139 HydrophobicContact CG1-CD1 4.17Å; V121-I150 HydrophobicContact CG2-CB 4.44Å; V121-I150 HydrophobicContact CG2-CD1 4.33Å; V121-I150 HydrophobicContact CG2-CG2 3.89Å; V121-P151 PolarHBondContact N-O 3.49Å; V121-L152 HydrophobicContact CG1-CD1 4.37Å; V121-L152 WeakPolarHBondContact O-CA 3.38Å; V121-I153 PolarHBondContact O-N 3.15Å; V121-L181 HydrophobicContact CB-CD2 4.08Å; V121-L181 HydrophobicContact CG1-CD2 4.44Å; V121-L181 HydrophobicContact CG2-CD2 4.05Å
122	M	98.1	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.9	-176.4	-72.4	84	173.7	0	0	109.7	C55 V57 W94 R95 L96 A120 I153 W155	C55-M122 VanDerWaalsContact SG-CE 3.59Å; V57-M122 HydrophobicContact CB-CE 4.31Å; V57-M122 HydrophobicContact CG1-CB 4.32Å; V57-M122 HydrophobicContact CG1-CE 4.07Å; V57-M122 HydrophobicContact CG1-CG 3.89Å; V57-M122 HydrophobicContact CG1-SD 3.74Å; V57-M122 HydrophobicContact CG2-CE 3.52Å; V57-M122 HydrophobicContact CG2-CG 4.47Å; V57-M122 HydrophobicContact CG2-SD 4.32Å; W94-M122 PolarHBondContact N-SD 3.32Å; W94-M122 VanDerWaalsContact N-SD 3.37Å; W94-M122 PolarHBondContact O-N 2.74Å; R95-M122 WeakPolarHBondContact CA-O 3.3Å; R95-M122 HydrophobicContact CB-CB 3.72Å; R95-M122 HydrophobicContact CG-CB 3.96Å; L96-M122 WeakPolarHBondContact CD1-O 3.45Å; L96-M122 PolarHBondContact N-O 2.96Å; L96-M122 VanDerWaalsContact N-O 3.1Å; A120-M122 HydrophobicContact CB-CE 3.77Å; A120-M122 HydrophobicContact CB-SD 4.17Å; M122-I153 CarbonylContact C-O 3.53Å; M122-I153 VanDerWaalsContact CA-O 3.31Å; M122-I153 WeakPolarHBondContact CA-O 3.15Å; M122-I153 HydrophobicContact CE-CD1 4.1Å; M122-I153 HydrophobicContact CG-CB 4.2Å; M122-W155 HydrophobicContact CB-CH2 3.6Å; M122-W155 HydrophobicContact CB-CZ3 3.47Å; M122-W155 VanDerWaalsContact CB-CZ3 3.47Å; M122-W155 HydrophobicContact CG-CH2 3.73Å; M122-W155 HydrophobicContact CG-CZ3 3.89Å
123	L	98.4	Very high	95.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	106.4	-178.6	-178.9	67.1	0	0	0	110.7	V126 L132 A135 L152 I153 I154 W155	L123-V126 HydrophobicContact CB-CG2 4.42Å; L123-V126 HydrophobicContact CD2-CG2 3.62Å; L123-V126 HydrophobicContact CG-CG2 3.71Å; L123-L132 HydrophobicContact CD2-CD1 4.16Å; L123-A135 HydrophobicContact CD1-CB 3.81Å; L123-A135 HydrophobicContact CD2-CB 3.44Å; L123-A135 VanDerWaalsContact CD2-CB 3.44Å; L123-A135 HydrophobicContact CG-CB 4.29Å; L123-L152 HydrophobicContact CB-CD1 3.99Å; L123-I153 PolarHBondContact N-O 2.8Å; L123-I154 HydrophobicContact CB-CG2 4.26Å; L123-I154 VanDerWaalsContact O-CA 3.32Å; L123-I154 WeakPolarHBondContact O-CA 3.36Å; L123-W155 PolarHBondContact O-N 2.83Å; L123-W155 VanDerWaalsContact O-N 3.15Å
124	P	98.4	Very high	95.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.192	C	C	.	.			trans	-81.1	166.8	179.1	34.5	-35.1	0	0	0	112	E61 R95 L96 V126	E61-P124 HydrophobicContact CB-CG 4.27Å; E61-P124 HydrophobicContact CG-CB 4.49Å; E61-P124 HydrophobicContact CG-CG 3.86Å; E61-P124 WeakPolarHBondContact OE1-CB 3.16Å; E61-P124 WeakPolarHBondContact OE1-CG 3.46Å; R95-P124 HydrophobicContact CG-CG 4.32Å; L96-P124 WeakPolarHBondContact O-CD 3.41Å; L96-P124 WeakPolarHBondContact O-CG 3.41Å; P124-V126 VanDerWaalsContact C-N 3.33Å; P124-V126 PolarHBondContact O-N 3.37Å
125	K	97.9	Very high	95.9	Very high	37 Å²	37	32.6 Å²	32.6	16%	0.161	18%	0.178	C	C	.	.			trans	54	43	168.8	-63.1	167.5	173.1	52.5	0	113.5	E61 D62 N127 E157 D192	E61-K125 WeakPolarHBondContact OE1-CD 3.35Å; E61-K125 WeakPolarHBondContact OE1-CE 3.36Å; E61-K125 IonicContact OE1-NZ 2.74Å; E61-K125 PolarHBondContact OE1-NZ 3.38Å; E61-K125 IonicContact OE2-NZ 2.83Å; D62-K125 IonicContact OD1-NZ 3.66Å; D62-K125 IonicContact OD2-NZ 3.77Å; D62-K125 PolarHBondContact OD2-NZ 3.04Å; K125-N127 PolarHBondContact O-N 2.89Å; K125-N127 PolarHBondContact O-ND2 3.3Å; K125-E157 WeakPolarHBondContact CA-OE1 3.48Å; K125-E157 HydrophobicContact CG-CG 4.13Å; K125-E157 WeakPolarHBondContact CG-OE1 3.47Å; K125-E157 WeakPolarHBondContact CG-OE2 3.45Å; K125-E157 PolarHBondContact N-OE1 2.78Å; K125-E157 IonicContact NZ-OE2 3.68Å; K125-E157 PolarHBondContact NZ-OE2 2.88Å; K125-D192 IonicContact NZ-OD1 2.76Å; K125-D192 IonicContact NZ-OD2 3.8Å
126	V	98.4	Very high	96.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.163	C	C	.	.			trans	-77.6	101.5	175.2	-177.1	0	0	0	0	108.9	L123 P124 D131 L132 I154 W155 A161 I168	L123-V126 HydrophobicContact CB-CG2 4.42Å; L123-V126 HydrophobicContact CD2-CG2 3.62Å; L123-V126 HydrophobicContact CG-CG2 3.71Å; P124-V126 VanDerWaalsContact C-N 3.33Å; P124-V126 PolarHBondContact O-N 3.37Å; V126-D131 HydrophobicContact CG1-CB 4.39Å; V126-L132 HydrophobicContact CG1-CB 4.02Å; V126-I154 HydrophobicContact CG2-CB 3.98Å; V126-I154 HydrophobicContact CG2-CG2 4.29Å; V126-W155 PolarHBondContact N-O 2.8Å; V126-A161 VanDerWaalsContact O-CB 3.32Å; V126-A161 WeakPolarHBondContact O-CB 3.48Å; V126-I168 HydrophobicContact CG1-CD1 4.47Å; V126-I168 HydrophobicContact CG1-CG2 3.72Å
127	N	97.8	Very high	96.4	Very high	39 Å²	39	38 Å²	38	21%	0.209	19%	0.19	C	C	.	.			trans	-98.6	-6	-175.9	-73.3	-70	0	0	0	113.7	K125 D131 S158	K125-N127 PolarHBondContact O-N 2.89Å; K125-N127 PolarHBondContact O-ND2 3.3Å; N127-D131 WeakPolarHBondContact CA-OD2 3.38Å; N127-D131 WeakPolarHBondContact CB-OD2 3.44Å; N127-D131 PolarHBondContact N-OD2 3.48Å; N127-S158 WeakPolarHBondContact OD1-CB 3.48Å; N127-S158 PolarHBondContact OD1-OG 3Å
128	S	97.9	Very high	96.6	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.084	17%	0.172	C	C	.	.	S	Bend	trans	-164.2	164.2	-175	65.2	0	0	0	0	112.2	Q130 D131 L132	S128-Q130 PolarHBondContact O-N 3.4Å; S128-Q130 PolarHBondContact OG-N 2.74Å; S128-D131 PolarHBondContact N-OD2 3.31Å; S128-D131 PolarHBondContact O-N 3.48Å; S128-D131 PolarHBondContact OG-N 3.3Å; S128-D131 VanDerWaalsContact OG-N 3.15Å; S128-D131 PolarHBondContact OG-OD2 3.28Å; S128-L132 PolarHBondContact O-N 3.48Å
129	V	97.3	Very high	96.6	Very high	37 Å²	37	34.5 Å²	34.5	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-32.2	169.6	174.1	0	0	0	0	111.6	L132 S133 N167 I168 A171	V129-L132 PolarHBondContact O-N 3.32Å; V129-S133 WeakPolarHBondContact O-CB 3Å; V129-S133 PolarHBondContact O-N 3.01Å; V129-S133 PolarHBondContact O-OG 3.26Å; V129-N167 HydrophobicContact CG2-CB 4.06Å; V129-I168 HydrophobicContact CG2-CG1 4.39Å; V129-A171 HydrophobicContact CB-CB 4.42Å; V129-A171 HydrophobicContact CG1-CB 3.64Å; V129-A171 HydrophobicContact CG2-CB 4.08Å
130	Q	97.1	Very high	96.6	Very high	133 Å²	133	31.4 Å²	31.4	62%	0.621	17%	0.165	S	C	*	.	H	α-helix	trans	-68	-41.3	179.6	-68.7	74.7	15.7	0	0	111.7	S128 L132 S133 H134	S128-Q130 PolarHBondContact O-N 3.4Å; S128-Q130 PolarHBondContact OG-N 2.74Å; Q130-L132 VanDerWaalsContact C-N 3.35Å; Q130-L132 PolarHBondContact O-N 3.32Å; Q130-S133 PolarHBondContact O-N 3.44Å; Q130-H134 WeakPolarHBondContact O-CB 3.31Å; Q130-H134 PolarHBondContact O-N 3.01Å
131	D	97.3	Very high	96.4	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-48.5	175.7	-59.9	-42.1	0	0	0	110.4	V99 V126 N127 S128 S133 H134 A135	V99-D131 HydrophobicContact CB-CB 4.46Å; V99-D131 HydrophobicContact CG2-CB 4.4Å; V126-D131 HydrophobicContact CG1-CB 4.39Å; N127-D131 WeakPolarHBondContact CA-OD2 3.38Å; N127-D131 WeakPolarHBondContact CB-OD2 3.44Å; N127-D131 PolarHBondContact N-OD2 3.48Å; S128-D131 PolarHBondContact N-OD2 3.31Å; S128-D131 PolarHBondContact O-N 3.48Å; S128-D131 PolarHBondContact OG-N 3.3Å; S128-D131 VanDerWaalsContact OG-N 3.15Å; S128-D131 PolarHBondContact OG-OD2 3.28Å; D131-S133 PolarHBondContact O-N 3.22Å; D131-H134 PolarHBondContact O-N 2.91Å; D131-A135 WeakPolarHBondContact O-CB 2.89Å; D131-A135 PolarHBondContact O-N 3.02Å
132	L	96.7	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-48.9	178.2	179.5	58.6	0	0	0	111.7	L123 V126 S128 V129 Q130 H134 A135 I136 L152 I154 I168	L123-L132 HydrophobicContact CD2-CD1 4.16Å; V126-L132 HydrophobicContact CG1-CB 4.02Å; S128-L132 PolarHBondContact O-N 3.48Å; V129-L132 PolarHBondContact O-N 3.32Å; Q130-L132 VanDerWaalsContact C-N 3.35Å; Q130-L132 PolarHBondContact O-N 3.32Å; L132-H134 VanDerWaalsContact C-N 3.33Å; L132-H134 PolarHBondContact O-N 3Å; L132-A135 PolarHBondContact O-N 3.1Å; L132-I136 HydrophobicContact CD1-CD1 3.89Å; L132-I136 HydrophobicContact CD1-CG1 4.3Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.33Å; L132-I136 PolarHBondContact O-N 3.27Å; L132-L152 HydrophobicContact CD1-CD2 3.8Å; L132-I154 HydrophobicContact CD1-CG2 4.23Å; L132-I168 HydrophobicContact CD2-CG2 4.24Å; L132-I168 WeakPolarHBondContact CD2-O 3.41Å
133	S	95.1	Very high	96.1	Very high	52 Å²	52	39.3 Å²	39.3	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-39.2	-179.1	-58.1	0	0	0	0	111.9	V129 Q130 D131 K137	V129-S133 WeakPolarHBondContact O-CB 3Å; V129-S133 PolarHBondContact O-N 3.01Å; V129-S133 PolarHBondContact O-OG 3.26Å; Q130-S133 PolarHBondContact O-N 3.44Å; D131-S133 PolarHBondContact O-N 3.22Å; S133-K137 WeakPolarHBondContact O-CB 3.14Å; S133-K137 PolarHBondContact O-N 2.93Å
134	H	95.9	Very high	95.9	Very high	89 Å²	89	43.1 Å²	43.1	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-46.1	177.2	-176.4	70	0	0	0	111.5	Q130 D131 L132 K137 L138	Q130-H134 WeakPolarHBondContact O-CB 3.31Å; Q130-H134 PolarHBondContact O-N 3.01Å; D131-H134 PolarHBondContact O-N 2.91Å; L132-H134 VanDerWaalsContact C-N 3.33Å; L132-H134 PolarHBondContact O-N 3Å; H134-K137 PolarHBondContact O-N 2.85Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.46Å; H134-L138 PolarHBondContact O-N 3.49Å
135	A	96.1	Very high	95.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-45.7	176.8	0	0	0	0	0	112.2	V99 L104 L123 D131 L132 K137 L138 I139	V99-A135 HydrophobicContact CG2-CB 3.99Å; L104-A135 HydrophobicContact CD2-CB 3.83Å; L123-A135 HydrophobicContact CD1-CB 3.81Å; L123-A135 HydrophobicContact CD2-CB 3.44Å; L123-A135 VanDerWaalsContact CD2-CB 3.44Å; L123-A135 HydrophobicContact CG-CB 4.29Å; D131-A135 WeakPolarHBondContact O-CB 2.89Å; D131-A135 PolarHBondContact O-N 3.02Å; L132-A135 PolarHBondContact O-N 3.1Å; A135-K137 VanDerWaalsContact C-N 3.3Å; A135-K137 PolarHBondContact O-N 3.03Å; A135-L138 PolarHBondContact O-N 3.39Å; A135-I139 WeakPolarHBondContact O-CB 3.25Å; A135-I139 VanDerWaalsContact O-CG1 3.32Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 3.48Å
136	I	94.6	Very high	95.3	Very high	18 Å²	18	45.3 Å²	45.3	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-44.1	176.2	-69.9	167.3	0	0	0	110.8	L132 I139 A140 C175 L181	L132-I136 HydrophobicContact CD1-CD1 3.89Å; L132-I136 HydrophobicContact CD1-CG1 4.3Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.33Å; L132-I136 PolarHBondContact O-N 3.27Å; I136-I139 PolarHBondContact O-N 3.46Å; I136-A140 WeakPolarHBondContact O-CB 3.31Å; I136-A140 PolarHBondContact O-N 2.92Å; I136-C175 HydrophobicContact CD1-CB 4.12Å; I136-L181 HydrophobicContact CG1-CD1 4.06Å
137	K	94.3	Very high	94.8	Very high	143 Å²	143	53.2 Å²	53.2	62%	0.622	27%	0.268	S	S	*	.	H	α-helix	trans	-61	-46.8	177.7	-179.3	-177	174.4	-176	0	111.8	S133 H134 A135 A140 Q141	S133-K137 WeakPolarHBondContact O-CB 3.14Å; S133-K137 PolarHBondContact O-N 2.93Å; H134-K137 PolarHBondContact O-N 2.85Å; A135-K137 VanDerWaalsContact C-N 3.3Å; A135-K137 PolarHBondContact O-N 3.03Å; K137-A140 PolarHBondContact O-N 2.99Å; K137-Q141 WeakPolarHBondContact O-CB 3.33Å; K137-Q141 PolarHBondContact O-N 3.44Å
138	L	95.2	Very high	94.4	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-42.7	178.1	-70.2	179.4	0	0	0	111.5	L104 L108 H134 A135 A140 Q141 Y142	L104-L138 HydrophobicContact CD2-CD1 4.01Å; L104-L138 HydrophobicContact CG-CD1 4.28Å; L108-L138 HydrophobicContact CD1-CB 3.54Å; H134-L138 WeakPolarHBondContact NE2-CD1 3.46Å; H134-L138 PolarHBondContact O-N 3.49Å; A135-L138 PolarHBondContact O-N 3.39Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 3.36Å; L138-Q141 WeakPolarHBondContact O-CB 3.34Å; L138-Q141 PolarHBondContact O-N 3.25Å; L138-Q141 VanDerWaalsContact O-N 3.13Å; L138-Y142 HydrophobicContact CD2-CE2 4.32Å; L138-Y142 WeakPolarHBondContact O-CD2 3.26Å; L138-Y142 PolarHBondContact O-N 2.94Å
139	I	94.6	Very high	94.1	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-44.1	176.8	-70.7	163.2	0	0	0	110.6	L108 V121 A135 I136 Q141 Y142 M143 P180 L181	L108-I139 HydrophobicContact CD1-CG1 4.01Å; L108-I139 HydrophobicContact CD2-CB 4.49Å; L108-I139 HydrophobicContact CD2-CG1 3.64Å; L108-I139 HydrophobicContact CG-CG1 4.47Å; V121-I139 HydrophobicContact CG1-CD1 4.17Å; A135-I139 WeakPolarHBondContact O-CB 3.25Å; A135-I139 VanDerWaalsContact O-CG1 3.32Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 3.48Å; I136-I139 PolarHBondContact O-N 3.46Å; I139-Q141 VanDerWaalsContact C-N 3.27Å; I139-Q141 PolarHBondContact O-N 3.5Å; I139-Y142 PolarHBondContact O-N 2.87Å; I139-M143 HydrophobicContact CG2-SD 4.12Å; I139-M143 WeakPolarHBondContact O-CA 3.36Å; I139-M143 VanDerWaalsContact O-CB 3.32Å; I139-M143 WeakPolarHBondContact O-CB 3.42Å; I139-M143 PolarHBondContact O-N 2.94Å; I139-P180 HydrophobicContact CG2-CB 4.45Å; I139-P180 HydrophobicContact CG2-CG 3.87Å; I139-L181 HydrophobicContact CB-CD1 4.39Å; I139-L181 HydrophobicContact CD1-CD1 3.46Å; I139-L181 VanDerWaalsContact CD1-CD1 3.46Å; I139-L181 HydrophobicContact CG1-CD1 4.49Å; I139-L181 HydrophobicContact CG2-CD1 4.21Å; I139-L181 HydrophobicContact CG2-CD2 4.2Å; I139-L181 HydrophobicContact CG2-CG 4.2Å
140	A	93.3	Very high	93.9	Very high	44 Å²	44	57.3 Å²	57.3	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-35.4	175.6	0	0	0	0	0	112.9	I136 K137 L138 P180	I136-A140 WeakPolarHBondContact O-CB 3.31Å; I136-A140 PolarHBondContact O-N 2.92Å; K137-A140 PolarHBondContact O-N 2.99Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 3.36Å; A140-P180 HydrophobicContact CB-CG 3.88Å
141	Q	93.8	Very high	93.9	Very high	113 Å²	113	52.1 Å²	52.1	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-71.8	-45	178.5	179.3	-177.5	-37.9	0	0	112.6	K137 L138 I139	K137-Q141 WeakPolarHBondContact O-CB 3.33Å; K137-Q141 PolarHBondContact O-N 3.44Å; L138-Q141 WeakPolarHBondContact O-CB 3.34Å; L138-Q141 PolarHBondContact O-N 3.25Å; L138-Q141 VanDerWaalsContact O-N 3.13Å; I139-Q141 VanDerWaalsContact C-N 3.27Å; I139-Q141 PolarHBondContact O-N 3.5Å
142	Y	94.8	Very high	93.8	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-88.7	-17.9	-175	-77.8	-80.9	0	0	0	113.8	E105 L108 R109 L138 I139 P144	E105-Y142 HydrophobicContact CG-CE2 3.56Å; E105-Y142 PolarHBondContact OE1-OH 2.8Å; L108-Y142 HydrophobicContact CB-CD2 4.02Å; L108-Y142 HydrophobicContact CB-CG 3.85Å; L108-Y142 HydrophobicContact CD1-CD2 4.35Å; R109-Y142 HydrophobicContact CB-CE1 4.17Å; R109-Y142 HydrophobicContact CG-CE1 4.41Å; L138-Y142 HydrophobicContact CD2-CE2 4.32Å; L138-Y142 WeakPolarHBondContact O-CD2 3.26Å; L138-Y142 PolarHBondContact O-N 2.94Å; I139-Y142 PolarHBondContact O-N 2.87Å; Y142-P144 WeakPolarHBondContact O-CD 3.19Å
143	M	94.1	Very high	93.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.26	C	S	.	.			trans	-123.5	51.4	178.8	-53.3	179.3	73.4	0	0	113	L108 A116 I139 Y145 V146 I150	L108-M143 HydrophobicContact CD2-SD 4.31Å; A116-M143 WeakPolarHBondContact O-CE 3.41Å; I139-M143 HydrophobicContact CG2-SD 4.12Å; I139-M143 WeakPolarHBondContact O-CA 3.36Å; I139-M143 VanDerWaalsContact O-CB 3.32Å; I139-M143 WeakPolarHBondContact O-CB 3.42Å; I139-M143 PolarHBondContact O-N 2.94Å; M143-Y145 HydrophobicContact CB-CE1 4.15Å; M143-Y145 HydrophobicContact CE-CE2 4.35Å; M143-Y145 WeakPolarHBondContact CE-OH 3.29Å; M143-Y145 HydrophobicContact CG-CE1 4.49Å; M143-Y145 PolarHBondContact O-N 3.26Å; M143-Y145 VanDerWaalsContact O-N 3.07Å; M143-V146 HydrophobicContact CB-CG2 3.85Å; M143-V146 HydrophobicContact CE-CG2 4.06Å; M143-V146 WeakPolarHBondContact O-CB 3.36Å; M143-V146 WeakPolarHBondContact O-CG2 3.47Å; M143-V146 PolarHBondContact O-N 3.15Å; M143-V146 VanDerWaalsContact O-N 3.08Å; M143-I150 HydrophobicContact CE-CD1 4.39Å
144	P	92.8	Very high	94.1	Very high	83 Å²	83	48.3 Å²	48.3	54%	0.539	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	-175.5	31	-37.9	0	0	0	114	Y142 V146 K147	Y142-P144 WeakPolarHBondContact O-CD 3.19Å; P144-V146 VanDerWaalsContact C-N 3.33Å; P144-K147 PolarHBondContact O-NZ 2.85Å
145	Y	92.3	Very high	94.2	Very high	69 Å²	69	44.2 Å²	44.2	27%	0.271	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.4	175.7	54.6	-95.5	0	0	0	112.8	G112 G115 A116 I117 M143 K147	G112-Y145 WeakPolarHBondContact CA-OH 3.44Å; G112-Y145 WeakPolarHBondContact O-CE1 3.45Å; G112-Y145 PolarHBondContact O-OH 3.22Å; G115-Y145 VanDerWaalsContact O-CE2 3.24Å; G115-Y145 WeakPolarHBondContact O-CE2 3.31Å; A116-Y145 PolarHBondContact O-OH 2.93Å; A116-Y145 VanDerWaalsContact O-OH 3.06Å; I117-Y145 HydrophobicContact CD1-CD2 4.2Å; I117-Y145 HydrophobicContact CD1-CE2 4.37Å; I117-Y145 HydrophobicContact CG1-CD2 4.09Å; I117-Y145 HydrophobicContact CG1-CE2 3.75Å; M143-Y145 HydrophobicContact CB-CE1 4.15Å; M143-Y145 HydrophobicContact CE-CE2 4.35Å; M143-Y145 WeakPolarHBondContact CE-OH 3.29Å; M143-Y145 HydrophobicContact CG-CE1 4.49Å; M143-Y145 PolarHBondContact O-N 3.26Å; M143-Y145 VanDerWaalsContact O-N 3.07Å; Y145-K147 PolarHBondContact O-N 3.38Å
146	V	92	Very high	94.3	Very high	15 Å²	15	44.2 Å²	44.2	9%	0.091	22%	0.224	C	C	.	.			trans	-69.5	111.8	174.4	175.9	0	0	0	0	109.4	I117 M143 P144 N148 I150 P180	I117-V146 HydrophobicContact CD1-CG2 4.38Å; I117-V146 HydrophobicContact CG1-CG2 4.22Å; M143-V146 HydrophobicContact CB-CG2 3.85Å; M143-V146 HydrophobicContact CE-CG2 4.06Å; M143-V146 WeakPolarHBondContact O-CB 3.36Å; M143-V146 WeakPolarHBondContact O-CG2 3.47Å; M143-V146 PolarHBondContact O-N 3.15Å; M143-V146 VanDerWaalsContact O-N 3.08Å; P144-V146 VanDerWaalsContact C-N 3.33Å; V146-N148 WeakPolarHBondContact CG1-O 3.45Å; V146-I150 HydrophobicContact CG1-CD1 3.81Å; V146-I150 HydrophobicContact CG1-CG1 3.8Å; V146-I150 HydrophobicContact CG2-CD1 3.83Å; V146-P180 HydrophobicContact CB-CB 4.36Å; V146-P180 HydrophobicContact CG1-CB 4.09Å
147	K	88.4	Confident	94.5	Very high	167 Å²	167	43.7 Å²	43.7	73%	0.726	22%	0.221	S	C	*	.			trans	-100	-27.4	-179.4	-58.2	-50.7	-179.9	-162.7	0	114	P144 Y145	P144-K147 PolarHBondContact O-NZ 2.85Å; Y145-K147 PolarHBondContact O-N 3.38Å
148	N	89.5	Confident	94.7	Very high	129 Å²	129	37.2 Å²	37.2	69%	0.69	19%	0.194	S	C	*	.	S	Bend	trans	-107	132.9	175.1	-63.1	-46	0	0	0	108.4	V146 I150	V146-N148 WeakPolarHBondContact CG1-O 3.45Å; N148-I150 PolarHBondContact O-N 2.97Å
149	P	91.4	Very high	94.8	Very high	39 Å²	39	38.2 Å²	38.2	25%	0.253	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-55.4	130.5	178.3	-26.8	35	0	0	0	112	F26 P180 H182	F26-P149 HydrophobicContact CZ-CB 4.36Å; F26-P149 HydrophobicContact CZ-CG 4.35Å; P149-P180 CarbonylContact C-O 3.59Å; P149-P180 WeakPolarHBondContact CA-O 3.3Å; P149-H182 HydrophobicContact CB-CB 4.01Å
150	I	93.7	Very high	95	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.3	175.2	-52.8	164.1	0	0	0	108.4	I117 P118 V121 M143 V146 N148 L152 P180 L181 H182	I117-I150 HydrophobicContact CG2-CD1 3.81Å; I117-I150 HydrophobicContact CG2-CG1 4Å; P118-I150 WeakPolarHBondContact O-CG2 3.12Å; V121-I150 HydrophobicContact CG2-CB 4.44Å; V121-I150 HydrophobicContact CG2-CD1 4.33Å; V121-I150 HydrophobicContact CG2-CG2 3.89Å; M143-I150 HydrophobicContact CE-CD1 4.39Å; V146-I150 HydrophobicContact CG1-CD1 3.81Å; V146-I150 HydrophobicContact CG1-CG1 3.8Å; V146-I150 HydrophobicContact CG2-CD1 3.83Å; N148-I150 PolarHBondContact O-N 2.97Å; I150-L152 PolarHBondContact O-N 3.15Å; I150-P180 PolarHBondContact N-O 2.76Å; I150-L181 HydrophobicContact CB-CD2 4.01Å; I150-L181 CarbonylContact O-C 3.6Å; I150-L181 VanDerWaalsContact O-CA 3.26Å; I150-L181 WeakPolarHBondContact O-CA 3.15Å; I150-H182 PolarHBondContact O-N 2.94Å
151	P	95.5	Very high	95.3	Very high	24 Å²	24	42.7 Å²	42.7	16%	0.156	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	126	170	-29.9	36.4	0	0	0	112.3	Q119 A120 V121 H182 E184	Q119-P151 WeakPolarHBondContact O-CD 3.01Å; A120-P151 CarbonylContact C-O 3.56Å; A120-P151 WeakPolarHBondContact CA-O 3.33Å; A120-P151 HydrophobicContact CB-CB 4.19Å; V121-P151 PolarHBondContact N-O 3.49Å; P151-H182 CarbonylContact C-O 3.57Å; P151-E184 HydrophobicContact CB-CG 4.19Å
152	L	96.8	Very high	95.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	173.8	173.8	66.3	0	0	0	109.7	V121 L123 L132 I150 I154 L181 H182 L183 E184 A185	V121-L152 HydrophobicContact CG1-CD1 4.37Å; V121-L152 WeakPolarHBondContact O-CA 3.38Å; L123-L152 HydrophobicContact CB-CD1 3.99Å; L132-L152 HydrophobicContact CD1-CD2 3.8Å; I150-L152 PolarHBondContact O-N 3.15Å; L152-I154 HydrophobicContact CD1-CG2 3.92Å; L152-I154 HydrophobicContact CD2-CG2 3.87Å; L152-I154 HydrophobicContact CG-CG2 3.72Å; L152-L181 HydrophobicContact CB-CB 4.07Å; L152-L181 HydrophobicContact CD1-CD1 4.16Å; L152-L181 HydrophobicContact CD2-CB 4.39Å; L152-L181 HydrophobicContact CD2-CD1 4.17Å; L152-H182 PolarHBondContact N-O 3.25Å; L152-L183 HydrophobicContact CD2-CD1 4.43Å; L152-L183 HydrophobicContact CG-CD1 4.3Å; L152-E184 PolarHBondContact O-N 2.79Å; L152-A185 PolarHBondContact O-N 3.18Å
153	I	98	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.1	171.8	-59.4	91.6	0	0	0	107.4	M34 A120 V121 M122 L123 W155 A185 V187	M34-I153 HydrophobicContact CE-CG1 4.49Å; M34-I153 HydrophobicContact CE-CG2 4.2Å; A120-I153 HydrophobicContact CB-CD1 3.64Å; V121-I153 PolarHBondContact O-N 3.15Å; M122-I153 CarbonylContact C-O 3.53Å; M122-I153 VanDerWaalsContact CA-O 3.31Å; M122-I153 WeakPolarHBondContact CA-O 3.15Å; M122-I153 HydrophobicContact CE-CD1 4.1Å; M122-I153 HydrophobicContact CG-CB 4.2Å; L123-I153 PolarHBondContact N-O 2.8Å; I153-W155 HydrophobicContact CG2-CH2 4.5Å; I153-W155 HydrophobicContact CG2-CZ3 4.06Å; I153-A185 WeakPolarHBondContact CA-O 3.32Å; I153-A185 HydrophobicContact CB-CB 4.38Å; I153-A185 HydrophobicContact CG1-CB 3.73Å; I153-A185 HydrophobicContact CG2-CB 4.07Å; I153-V187 HydrophobicContact CG2-CG2 3.54Å
154	I	98.5	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	157.7	-179.9	73.4	178.9	0	0	0	111.7	L123 V126 L132 L152 I168 L169 L183 A185 V186 V187	L123-I154 HydrophobicContact CB-CG2 4.26Å; L123-I154 VanDerWaalsContact O-CA 3.32Å; L123-I154 WeakPolarHBondContact O-CA 3.36Å; V126-I154 HydrophobicContact CG2-CB 3.98Å; V126-I154 HydrophobicContact CG2-CG2 4.29Å; L132-I154 HydrophobicContact CD1-CG2 4.23Å; L152-I154 HydrophobicContact CD1-CG2 3.92Å; L152-I154 HydrophobicContact CD2-CG2 3.87Å; L152-I154 HydrophobicContact CG-CG2 3.72Å; I154-I168 HydrophobicContact CD1-CG2 3.72Å; I154-L169 HydrophobicContact CD1-CD2 3.8Å; I154-L183 HydrophobicContact CD1-CD1 4.2Å; I154-L183 HydrophobicContact CG1-CD1 4.08Å; I154-L183 HydrophobicContact CG2-CD1 3.99Å; I154-A185 PolarHBondContact N-O 3.46Å; I154-V186 HydrophobicContact CG1-CG1 3.99Å; I154-V186 HydrophobicContact CG1-CG2 4.45Å; I154-V186 CarbonylContact O-C 3.57Å; I154-V186 VanDerWaalsContact O-CA 3.31Å; I154-V186 WeakPolarHBondContact O-CA 3.48Å; I154-V187 PolarHBondContact O-N 3.33Å
155	W	98.5	Very high	96.1	Very high	3 Å²	3	39 Å²	39	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.9	172.9	-79.3	-119.6	0	0	0	110.9	Y36 R95 M122 L123 V126 I153 E157 V187	Y36-W155 HydrophobicContact CE1-CH2 4.08Å; Y36-W155 AromaticContact CE1-CZ2 3.62Å; Y36-W155 HydrophobicContact CE1-CZ2 3.62Å; Y36-W155 AromaticContact CZ-CZ2 3.74Å; Y36-W155 WeakPolarHBondContact OH-CZ2 3.39Å; R95-W155 HydrophobicContact CG-CH2 4.44Å; M122-W155 HydrophobicContact CB-CH2 3.6Å; M122-W155 HydrophobicContact CB-CZ3 3.47Å; M122-W155 VanDerWaalsContact CB-CZ3 3.47Å; M122-W155 HydrophobicContact CG-CH2 3.73Å; M122-W155 HydrophobicContact CG-CZ3 3.89Å; L123-W155 PolarHBondContact O-N 2.83Å; L123-W155 VanDerWaalsContact O-N 3.15Å; V126-W155 PolarHBondContact N-O 2.8Å; I153-W155 HydrophobicContact CG2-CH2 4.5Å; I153-W155 HydrophobicContact CG2-CZ3 4.06Å; W155-E157 WeakPolarHBondContact CB-OE1 3.48Å; W155-V187 WeakPolarHBondContact CA-O 3.07Å; W155-V187 HydrophobicContact CD2-CB 3.8Å; W155-V187 HydrophobicContact CD2-CG1 4.24Å; W155-V187 HydrophobicContact CD2-CG2 4.17Å; W155-V187 HydrophobicContact CE3-CB 4.41Å; W155-V187 HydrophobicContact CE3-CG2 4.4Å; W155-V187 HydrophobicContact CG-CB 3.94Å; W155-V187 HydrophobicContact CG-CG1 4.26Å; W155-V187 HydrophobicContact CH2-CG2 4.19Å; W155-V187 HydrophobicContact CZ2-CB 4.3Å; W155-V187 HydrophobicContact CZ2-CG1 4.28Å; W155-V187 HydrophobicContact CZ2-CG2 4.04Å; W155-V187 HydrophobicContact CZ3-CG2 4.35Å; W155-V187 VanDerWaalsContact NE1-CG1 3.34Å
156	I	98.7	Very high	96.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.4	161	-59.4	-61.7	0	0	0	106.2	A161 L162 A165 I168 V186 V187 F188 G189 F215	I156-A161 HydrophobicContact CD1-CB 4.24Å; I156-A161 HydrophobicContact CG2-CB 3.93Å; I156-L162 HydrophobicContact CG2-CB 4.05Å; I156-L162 HydrophobicContact CG2-CD1 4.01Å; I156-A165 HydrophobicContact CD1-CB 4.4Å; I156-A165 HydrophobicContact CG1-CB 4.45Å; I156-A165 HydrophobicContact CG2-CB 4.5Å; I156-I168 HydrophobicContact CD1-CD1 3.98Å; I156-I168 HydrophobicContact CD1-CG2 4.32Å; I156-V186 HydrophobicContact CB-CG1 4.46Å; I156-V186 HydrophobicContact CG1-CG1 3.67Å; I156-V187 PolarHBondContact N-O 3.3Å; I156-F188 WeakPolarHBondContact O-CD2 3.47Å; I156-G189 PolarHBondContact O-N 3.25Å; I156-F215 HydrophobicContact CB-CD2 4.14Å; I156-F215 HydrophobicContact CB-CE2 3.89Å; I156-F215 HydrophobicContact CG1-CE2 4.16Å; I156-F215 HydrophobicContact CG2-CD2 4.41Å
157	E	98.4	Very high	96.7	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.033	22%	0.216	C	C	.	.			trans	-145.9	12.4	-165.2	75	-167.5	90.2	0	0	114	K125 W155 D192 F193	K125-E157 WeakPolarHBondContact CA-OE1 3.48Å; K125-E157 HydrophobicContact CG-CG 4.13Å; K125-E157 WeakPolarHBondContact CG-OE1 3.47Å; K125-E157 WeakPolarHBondContact CG-OE2 3.45Å; K125-E157 PolarHBondContact N-OE1 2.78Å; K125-E157 IonicContact NZ-OE2 3.68Å; K125-E157 PolarHBondContact NZ-OE2 2.88Å; W155-E157 WeakPolarHBondContact CB-OE1 3.48Å; E157-D192 HydrophobicContact CB-CB 3.93Å; E157-D192 HydrophobicContact CG-CB 3.97Å; E157-D192 CarbonylContact O-C 3.46Å; E157-D192 VanDerWaalsContact O-C 3.22Å; E157-D192 VanDerWaalsContact OE2-OD2 3.13Å; E157-F193 WeakPolarHBondContact O-CA 3.09Å; E157-F193 PolarHBondContact O-N 3.43Å
158	S	98.5	Very high	97.2	Very high	8 Å²	8	33.4 Å²	33.4	6%	0.056	18%	0.181	C	C	.	.	S	Bend	trans	-134.1	162.1	171.8	73.4	0	0	0	0	110.4	N127 K160 A161 L162 D196	N127-S158 WeakPolarHBondContact OD1-CB 3.48Å; N127-S158 PolarHBondContact OD1-OG 3Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.38Å; S158-A161 PolarHBondContact O-N 3.19Å; S158-A161 VanDerWaalsContact OG-CB 3.23Å; S158-A161 WeakPolarHBondContact OG-CB 3.24Å; S158-A161 PolarHBondContact OG-N 3.07Å; S158-L162 WeakPolarHBondContact O-CB 3.26Å; S158-L162 PolarHBondContact O-N 2.66Å; S158-D196 WeakPolarHBondContact CA-OD2 3.35Å; S158-D196 WeakPolarHBondContact CB-OD2 3.44Å
159	A	98.3	Very high	97.6	Very high	36 Å²	36	27.3 Å²	27.3	30%	0.298	15%	0.149	S	C	.	.	H	α-helix	trans	-58.5	-43.1	173.2	0	0	0	0	0	111.5	L162 I163 D196 I197	A159-L162 PolarHBondContact O-N 3.48Å; A159-I163 VanDerWaalsContact O-CG1 3.31Å; A159-I163 WeakPolarHBondContact O-CG1 3.46Å; A159-I163 PolarHBondContact O-N 3.29Å; A159-D196 WeakPolarHBondContact CB-OD2 3.49Å; A159-D196 PolarHBondContact N-OD2 3.36Å; A159-I197 HydrophobicContact CB-CG2 3.77Å
160	K	98.2	Very high	97.8	Very high	139 Å²	139	26.6 Å²	26.6	60%	0.604	15%	0.146	S	C	*	.	H	α-helix	trans	-60.8	-49.3	176.7	-178.7	-179.1	173.9	-175.8	0	111.2	S158 L162 I163 D164	S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.38Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 3Å; K160-I163 PolarHBondContact O-N 3.06Å; K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 2.99Å
161	A	98.6	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-40.1	178.7	0	0	0	0	0	111.5	V126 I156 S158 D164 A165	V126-A161 VanDerWaalsContact O-CB 3.32Å; V126-A161 WeakPolarHBondContact O-CB 3.48Å; I156-A161 HydrophobicContact CD1-CB 4.24Å; I156-A161 HydrophobicContact CG2-CB 3.93Å; S158-A161 PolarHBondContact O-N 3.19Å; S158-A161 VanDerWaalsContact OG-CB 3.23Å; S158-A161 WeakPolarHBondContact OG-CB 3.24Å; S158-A161 PolarHBondContact OG-N 3.07Å; A161-D164 CarbonylContact O-C 3.57Å; A161-D164 PolarHBondContact O-N 3Å; A161-A165 WeakPolarHBondContact O-CA 3.48Å; A161-A165 WeakPolarHBondContact O-CB 3.32Å; A161-A165 PolarHBondContact O-N 3.13Å
162	L	98.7	Very high	97.8	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-47.9	179.4	-172.6	69.1	0	0	0	111	I156 S158 A159 K160 D164 A165 F188 F193 A211 Y214 F215	I156-L162 HydrophobicContact CG2-CB 4.05Å; I156-L162 HydrophobicContact CG2-CD1 4.01Å; S158-L162 WeakPolarHBondContact O-CB 3.26Å; S158-L162 PolarHBondContact O-N 2.66Å; A159-L162 PolarHBondContact O-N 3.48Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 3Å; L162-D164 VanDerWaalsContact C-N 3.3Å; L162-D164 PolarHBondContact O-N 3.04Å; L162-A165 VanDerWaalsContact O-CB 3.23Å; L162-A165 WeakPolarHBondContact O-CB 3.49Å; L162-A165 PolarHBondContact O-N 2.83Å; L162-F188 HydrophobicContact CD1-CE2 4.48Å; L162-F193 HydrophobicContact CB-CE2 4.08Å; L162-F193 HydrophobicContact CD2-CE2 3.58Å; L162-F193 HydrophobicContact CD2-CZ 3.83Å; L162-F193 HydrophobicContact CG-CE2 4.45Å; L162-A211 HydrophobicContact CD2-CB 3.67Å; L162-Y214 HydrophobicContact CD1-CD1 3.87Å; L162-Y214 HydrophobicContact CD1-CE1 4.46Å; L162-Y214 HydrophobicContact CD2-CD1 4.48Å; L162-Y214 HydrophobicContact CG-CD1 3.9Å; L162-Y214 HydrophobicContact CG-CE1 4.31Å; L162-Y214 VanDerWaalsContact O-CE1 3.27Å; L162-Y214 WeakPolarHBondContact O-CE1 3.35Å; L162-F215 HydrophobicContact CD1-CB 4Å; L162-F215 HydrophobicContact CD1-CD2 4.38Å
163	I	98.3	Very high	97.4	Very high	125 Å²	125	26.8 Å²	26.8	64%	0.641	15%	0.152	S	C	*	.	H	α-helix	trans	-59.9	-42.2	176.8	-68.2	-65.3	0	0	0	111.1	A159 K160 A165 P166	A159-I163 VanDerWaalsContact O-CG1 3.31Å; A159-I163 WeakPolarHBondContact O-CG1 3.46Å; A159-I163 PolarHBondContact O-N 3.29Å; K160-I163 PolarHBondContact O-N 3.06Å; I163-A165 VanDerWaalsContact C-N 3.33Å; I163-P166 WeakPolarHBondContact O-CD 3.4Å
164	D	98.2	Very high	96.9	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.214	18%	0.181	C	C	.	.	H	α-helix	trans	-85.3	-0.7	-179.3	-160.5	39.9	0	0	0	114.1	K160 A161 L162 P166 N167 I168	K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 2.99Å; A161-D164 CarbonylContact O-C 3.57Å; A161-D164 PolarHBondContact O-N 3Å; L162-D164 VanDerWaalsContact C-N 3.3Å; L162-D164 PolarHBondContact O-N 3.04Å; D164-P166 VanDerWaalsContact C-N 3.3Å; D164-P166 VanDerWaalsContact O-N 3.15Å; D164-N167 PolarHBondContact O-N 2.96Å; D164-N167 WeakPolarHBondContact OD1-CB 3.31Å; D164-N167 PolarHBondContact OD1-ND2 2.92Å; D164-I168 HydrophobicContact CB-CD1 4.25Å; D164-I168 PolarHBondContact O-N 3.34Å; D164-I168 VanDerWaalsContact O-N 3.07Å
165	A	98.6	Very high	95.8	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-51.8	-40.9	-176	0	0	0	0	0	113.3	I156 A161 L162 I163 N167 I168 L169 V218	I156-A165 HydrophobicContact CD1-CB 4.4Å; I156-A165 HydrophobicContact CG1-CB 4.45Å; I156-A165 HydrophobicContact CG2-CB 4.5Å; A161-A165 WeakPolarHBondContact O-CA 3.48Å; A161-A165 WeakPolarHBondContact O-CB 3.32Å; A161-A165 PolarHBondContact O-N 3.13Å; L162-A165 VanDerWaalsContact O-CB 3.23Å; L162-A165 WeakPolarHBondContact O-CB 3.49Å; L162-A165 PolarHBondContact O-N 2.83Å; I163-A165 VanDerWaalsContact C-N 3.33Å; A165-N167 VanDerWaalsContact C-N 3.26Å; A165-N167 PolarHBondContact O-N 2.93Å; A165-I168 PolarHBondContact O-N 3.5Å; A165-L169 WeakPolarHBondContact O-CB 3.32Å; A165-L169 VanDerWaalsContact O-CG 3.27Å; A165-L169 WeakPolarHBondContact O-CG 3.31Å; A165-L169 PolarHBondContact O-N 3.05Å; A165-V218 HydrophobicContact CB-CG1 3.9Å
166	P	98.6	Very high	94.3	Very high	39 Å²	39	35.1 Å²	35.1	25%	0.253	20%	0.201	S	C	.	.	H	α-helix	trans	-55.6	-38.9	175.7	-26.7	36.1	0	0	0	113.8	I163 D164 A170 Y214 V218 Y222	I163-P166 WeakPolarHBondContact O-CD 3.4Å; D164-P166 VanDerWaalsContact C-N 3.3Å; D164-P166 VanDerWaalsContact O-N 3.15Å; P166-A170 VanDerWaalsContact O-CB 3.3Å; P166-A170 WeakPolarHBondContact O-CB 3.46Å; P166-A170 PolarHBondContact O-N 2.76Å; P166-A170 VanDerWaalsContact O-N 3.07Å; P166-Y214 WeakPolarHBondContact CG-OH 3.35Å; P166-V218 HydrophobicContact CG-CG1 4.06Å; P166-V218 HydrophobicContact CG-CG2 4.08Å; P166-Y222 PolarHBondContact O-OH 3.32Å
167	N	98.3	Very high	92.9	Very high	93 Å²	93	39.4 Å²	39.4	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-77.1	-41.6	179.3	-64.6	-41.1	0	0	0	111.6	V129 D164 A165 L169 A170 A171	V129-N167 HydrophobicContact CG2-CB 4.06Å; D164-N167 PolarHBondContact O-N 2.96Å; D164-N167 WeakPolarHBondContact OD1-CB 3.31Å; D164-N167 PolarHBondContact OD1-ND2 2.92Å; A165-N167 VanDerWaalsContact C-N 3.26Å; A165-N167 PolarHBondContact O-N 2.93Å; N167-L169 PolarHBondContact O-N 3.33Å; N167-A170 PolarHBondContact O-N 2.95Å; N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 3.33Å
168	I	98.3	Very high	91.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-48.5	176.3	-64.1	170	0	0	0	110.2	V126 V129 L132 I154 I156 D164 A165 A171 G172	V126-I168 HydrophobicContact CG1-CD1 4.47Å; V126-I168 HydrophobicContact CG1-CG2 3.72Å; V129-I168 HydrophobicContact CG2-CG1 4.39Å; L132-I168 HydrophobicContact CD2-CG2 4.24Å; L132-I168 WeakPolarHBondContact CD2-O 3.41Å; I154-I168 HydrophobicContact CD1-CG2 3.72Å; I156-I168 HydrophobicContact CD1-CD1 3.98Å; I156-I168 HydrophobicContact CD1-CG2 4.32Å; D164-I168 HydrophobicContact CB-CD1 4.25Å; D164-I168 PolarHBondContact O-N 3.34Å; D164-I168 VanDerWaalsContact O-N 3.07Å; A165-I168 PolarHBondContact O-N 3.5Å; I168-A171 PolarHBondContact O-N 3.07Å; I168-G172 PolarHBondContact O-N 2.95Å
169	L	98	Very high	91.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-71.5	-34.4	-179.4	-58.2	-169	0	0	0	112.3	I154 A165 N167 G172 A173 L183 V186 V218 Y222 L224	I154-L169 HydrophobicContact CD1-CD2 3.8Å; A165-L169 WeakPolarHBondContact O-CB 3.32Å; A165-L169 VanDerWaalsContact O-CG 3.27Å; A165-L169 WeakPolarHBondContact O-CG 3.31Å; A165-L169 PolarHBondContact O-N 3.05Å; N167-L169 PolarHBondContact O-N 3.33Å; L169-G172 PolarHBondContact O-N 2.72Å; L169-A173 WeakPolarHBondContact O-CB 3.14Å; L169-A173 PolarHBondContact O-N 3.24Å; L169-L183 HydrophobicContact CD2-CD2 3.99Å; L169-V186 HydrophobicContact CD1-CG2 4.07Å; L169-V186 HydrophobicContact CD2-CG1 4.31Å; L169-V186 HydrophobicContact CD2-CG2 3.52Å; L169-V186 HydrophobicContact CG-CG2 4.47Å; L169-V218 HydrophobicContact CD1-CG1 3.72Å; L169-V218 HydrophobicContact CG-CG1 4.45Å; L169-Y222 HydrophobicContact CB-CD2 3.48Å; L169-Y222 VanDerWaalsContact CB-CD2 3.48Å; L169-Y222 HydrophobicContact CB-CE2 3.65Å; L169-Y222 HydrophobicContact CB-CG 4.11Å; L169-Y222 HydrophobicContact CD1-CD2 4.02Å; L169-Y222 HydrophobicContact CG-CD2 4.4Å; L169-L224 HydrophobicContact CB-CD1 4.38Å; L169-L224 HydrophobicContact CD1-CD1 4.08Å; L169-L224 HydrophobicContact CD2-CD1 4.12Å; L169-L224 HydrophobicContact CG-CD1 4.41Å
170	A	95.9	Very high	90.7	Very high	24 Å²	24	46 Å²	46	20%	0.198	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-48.3	171.1	0	0	0	0	0	111.4	P166 N167 A173 N174 Y222	P166-A170 VanDerWaalsContact O-CB 3.3Å; P166-A170 WeakPolarHBondContact O-CB 3.46Å; P166-A170 PolarHBondContact O-N 2.76Å; P166-A170 VanDerWaalsContact O-N 3.07Å; N167-A170 PolarHBondContact O-N 2.95Å; A170-A173 PolarHBondContact O-N 3.01Å; A170-N174 WeakPolarHBondContact O-CB 3.47Å; A170-N174 PolarHBondContact O-N 2.96Å; A170-N174 VanDerWaalsContact O-N 3.08Å; A170-N174 PolarHBondContact O-ND2 3.41Å; A170-N174 VanDerWaalsContact O-ND2 3.09Å; A170-Y222 HydrophobicContact CB-CE1 4.1Å; A170-Y222 WeakPolarHBondContact CB-OH 3.49Å
171	A	94.4	Very high	90.5	Very high	19 Å²	19	39.6 Å²	39.6	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-48.5	178.4	0	0	0	0	0	111.1	V129 N167 I168 A173 N174 C175	V129-A171 HydrophobicContact CB-CB 4.42Å; V129-A171 HydrophobicContact CG1-CB 3.64Å; V129-A171 HydrophobicContact CG2-CB 4.08Å; N167-A171 WeakPolarHBondContact O-CB 3.34Å; N167-A171 PolarHBondContact O-N 3.33Å; I168-A171 PolarHBondContact O-N 3.07Å; A171-A173 PolarHBondContact O-N 3.15Å; A171-N174 PolarHBondContact O-N 3.04Å; A171-C175 PolarHBondContact O-N 2.8Å; A171-C175 PolarHBondContact O-SG 3.39Å
172	G	93.4	Very high	90.2	Very high	4 Å²	4	41.2 Å²	41.2	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-40	178.5	0	0	0	0	0	113.9	I168 L169 N174	I168-G172 PolarHBondContact O-N 2.95Å; L169-G172 PolarHBondContact O-N 2.72Å; G172-N174 VanDerWaalsContact C-N 3.34Å; G172-N174 PolarHBondContact O-N 3.49Å
173	A	89.3	Confident	90.1	Very high	15 Å²	15	41 Å²	41	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-39.5	175.5	0	0	0	0	0	112	V21 L169 A170 A171 S176 Y222	V21-A173 HydrophobicContact CG2-CB 4.47Å; L169-A173 WeakPolarHBondContact O-CB 3.14Å; L169-A173 PolarHBondContact O-N 3.24Å; A170-A173 PolarHBondContact O-N 3.01Å; A171-A173 PolarHBondContact O-N 3.15Å; A173-S176 PolarHBondContact O-OG 3.21Å; A173-Y222 HydrophobicContact CB-CD1 4.19Å
174	N	86.5	Confident	90	Very high	113 Å²	113	35.8 Å²	35.8	60%	0.604	22%	0.215	S	C	*	.	H	α-helix	trans	-77.1	-24	-177.1	-70.3	-26.9	0	0	0	114	A170 A171 G172 S176	A170-N174 WeakPolarHBondContact O-CB 3.47Å; A170-N174 PolarHBondContact O-N 2.96Å; A170-N174 VanDerWaalsContact O-N 3.08Å; A170-N174 PolarHBondContact O-ND2 3.41Å; A170-N174 VanDerWaalsContact O-ND2 3.09Å; A171-N174 PolarHBondContact O-N 3.04Å; G172-N174 VanDerWaalsContact C-N 3.34Å; G172-N174 PolarHBondContact O-N 3.49Å; N174-S176 PolarHBondContact O-N 3.41Å
175	C	76.5	Confident	89.9	Confident	41 Å²	41	33.9 Å²	33.9	28%	0.277	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-69.3	-15.2	-178.8	-73.9	0	0	0	0	114.4	I136 A171 S177 N178 S179	I136-C175 HydrophobicContact CD1-CB 4.12Å; A171-C175 PolarHBondContact O-N 2.8Å; A171-C175 PolarHBondContact O-SG 3.39Å; C175-S177 VanDerWaalsContact C-N 3.25Å; C175-S177 PolarHBondContact O-N 3.11Å; C175-N178 PolarHBondContact O-N 3.26Å; C175-S179 WeakPolarHBondContact O-CB 3.13Å; C175-S179 PolarHBondContact O-N 2.81Å
176	S	66.3	Low	89.9	Confident	24 Å²	24	33.8 Å²	33.8	17%	0.168	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.6	-29.3	-166.9	-50.5	0	0	0	0	115.6	A173 N174 H182	A173-S176 PolarHBondContact O-OG 3.21Å; N174-S176 PolarHBondContact O-N 3.41Å; S176-H182 PolarHBondContact OG-ND1 2.91Å
177	S	70	Confident	90	Very high	91 Å²	91	31.9 Å²	31.9	64%	0.636	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-77.1	-24.3	-173.6	53.6	0	0	0	0	114.9	C175	C175-S177 VanDerWaalsContact C-N 3.25Å; C175-S177 PolarHBondContact O-N 3.11Å
178	N	73.5	Confident	90	Very high	160 Å²	160	27.5 Å²	27.5	86%	0.856	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.4	16.3	-177.8	-69.3	-34.1	0	0	0	112.5	C175	C175-N178 PolarHBondContact O-N 3.26Å
179	S	85.1	Confident	90	Very high	13 Å²	13	27.7 Å²	27.7	9%	0.091	17%	0.17	C	C	.	.			trans	-107.8	141.4	-174.9	171.9	0	0	0	0	110.3	C175 L181	C175-S179 WeakPolarHBondContact O-CB 3.13Å; C175-S179 PolarHBondContact O-N 2.81Å; S179-L181 VanDerWaalsContact CB-O 3.24Å; S179-L181 WeakPolarHBondContact CB-O 3.38Å; S179-L181 PolarHBondContact O-N 2.96Å; S179-L181 VanDerWaalsContact O-N 3.11Å; S179-L181 WeakPolarHBondContact OG-CA 3.05Å; S179-L181 WeakPolarHBondContact OG-CB 3.32Å; S179-L181 PolarHBondContact OG-N 3.27Å; S179-L181 PolarHBondContact OG-O 2.78Å
180	P	89.6	Confident	89.9	Confident	16 Å²	16	27.7 Å²	27.7	10%	0.104	17%	0.17	C	C	.	.	S	Bend	trans	-67.9	-2	167.3	31.8	-36.3	0	0	0	112.3	I139 A140 V146 P149 I150	I139-P180 HydrophobicContact CG2-CB 4.45Å; I139-P180 HydrophobicContact CG2-CG 3.87Å; A140-P180 HydrophobicContact CB-CG 3.88Å; V146-P180 HydrophobicContact CB-CB 4.36Å; V146-P180 HydrophobicContact CG1-CB 4.09Å; P149-P180 CarbonylContact C-O 3.59Å; P149-P180 WeakPolarHBondContact CA-O 3.3Å; I150-P180 PolarHBondContact N-O 2.76Å
181	L	93.4	Very high	89.9	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147	-175.9	-58.7	176.3	0	0	0	111.7	V121 I136 I139 I150 L152 S179	V121-L181 HydrophobicContact CB-CD2 4.08Å; V121-L181 HydrophobicContact CG1-CD2 4.44Å; V121-L181 HydrophobicContact CG2-CD2 4.05Å; I136-L181 HydrophobicContact CG1-CD1 4.06Å; I139-L181 HydrophobicContact CB-CD1 4.39Å; I139-L181 HydrophobicContact CD1-CD1 3.46Å; I139-L181 VanDerWaalsContact CD1-CD1 3.46Å; I139-L181 HydrophobicContact CG1-CD1 4.49Å; I139-L181 HydrophobicContact CG2-CD1 4.21Å; I139-L181 HydrophobicContact CG2-CD2 4.2Å; I139-L181 HydrophobicContact CG2-CG 4.2Å; I150-L181 HydrophobicContact CB-CD2 4.01Å; I150-L181 CarbonylContact O-C 3.6Å; I150-L181 VanDerWaalsContact O-CA 3.26Å; I150-L181 WeakPolarHBondContact O-CA 3.15Å; L152-L181 HydrophobicContact CB-CB 4.07Å; L152-L181 HydrophobicContact CD1-CD1 4.16Å; L152-L181 HydrophobicContact CD2-CB 4.39Å; L152-L181 HydrophobicContact CD2-CD1 4.17Å; S179-L181 VanDerWaalsContact CB-O 3.24Å; S179-L181 WeakPolarHBondContact CB-O 3.38Å; S179-L181 PolarHBondContact O-N 2.96Å; S179-L181 VanDerWaalsContact O-N 3.11Å; S179-L181 WeakPolarHBondContact OG-CA 3.05Å; S179-L181 WeakPolarHBondContact OG-CB 3.32Å; S179-L181 PolarHBondContact OG-N 3.27Å; S179-L181 PolarHBondContact OG-O 2.78Å
182	H	93.9	Very high	90	Very high	34 Å²	34	31.7 Å²	31.7	16%	0.157	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121	170.4	168.7	59.9	0	0	0	110	P149 I150 P151 L152 S176 E184	P149-H182 HydrophobicContact CB-CB 4.01Å; I150-H182 PolarHBondContact O-N 2.94Å; P151-H182 CarbonylContact C-O 3.57Å; L152-H182 PolarHBondContact N-O 3.25Å; S176-H182 PolarHBondContact OG-ND1 2.91Å; H182-E184 VanDerWaalsContact CD2-CG 3.46Å; H182-E184 WeakPolarHBondContact CD2-CG 3.15Å; H182-E184 IonicContact CD2-OE1 2.93Å; H182-E184 PolarHBondContact O-N 2.85Å
183	L	95.7	Very high	90.3	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	118.4	179.6	-179.1	63.5	0	0	0	110.8	L152 I154 L169 L224	L152-L183 HydrophobicContact CD2-CD1 4.43Å; L152-L183 HydrophobicContact CG-CD1 4.3Å; I154-L183 HydrophobicContact CD1-CD1 4.2Å; I154-L183 HydrophobicContact CG1-CD1 4.08Å; I154-L183 HydrophobicContact CG2-CD1 3.99Å; L169-L183 HydrophobicContact CD2-CD2 3.99Å; L183-L224 HydrophobicContact CD2-CD1 3.61Å; L183-L224 HydrophobicContact CD2-CD2 4.49Å; L183-L224 HydrophobicContact CG-CD1 3.87Å; L183-L224 HydrophobicContact CG-CD2 3.97Å; L183-L224 WeakPolarHBondContact O-CD2 3.21Å
184	E	95.7	Very high	90.7	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.07	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-31	-179	-73.2	-166.4	171.6	0	0	113.9	R31 P151 L152 H182 Q225	R31-E184 IonicContact CZ-OE2 2.78Å; R31-E184 IonicContact NH1-OE2 3.69Å; R31-E184 PolarHBondContact NH1-OE2 3.44Å; R31-E184 IonicContact NH2-OE2 3.65Å; R31-E184 PolarHBondContact NH2-OE2 3.26Å; P151-E184 HydrophobicContact CB-CG 4.19Å; L152-E184 PolarHBondContact O-N 2.79Å; H182-E184 VanDerWaalsContact CD2-CG 3.46Å; H182-E184 WeakPolarHBondContact CD2-CG 3.15Å; H182-E184 IonicContact CD2-OE1 2.93Å; H182-E184 PolarHBondContact O-N 2.85Å; E184-Q225 PolarHBondContact O-N 3.38Å
185	A	97.8	Very high	91.2	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.5	-176	0	0	0	0	0	112.2	L152 I153 I154 Q225 I227	L152-A185 PolarHBondContact O-N 3.18Å; I153-A185 WeakPolarHBondContact CA-O 3.32Å; I153-A185 HydrophobicContact CB-CB 4.38Å; I153-A185 HydrophobicContact CG1-CB 3.73Å; I153-A185 HydrophobicContact CG2-CB 4.07Å; I154-A185 PolarHBondContact N-O 3.46Å; A185-Q225 CarbonylContact C-O 3.44Å; A185-Q225 VanDerWaalsContact CA-O 3.26Å; A185-Q225 WeakPolarHBondContact CA-O 3.39Å; A185-Q225 HydrophobicContact CB-CB 3.75Å; A185-I227 HydrophobicContact CB-CG1 4.35Å
186	V	98.7	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.8	174.7	-164.7	0	0	0	0	107.4	I154 I156 L169 F215 L224 Q225 I227	I154-V186 HydrophobicContact CG1-CG1 3.99Å; I154-V186 HydrophobicContact CG1-CG2 4.45Å; I154-V186 CarbonylContact O-C 3.57Å; I154-V186 VanDerWaalsContact O-CA 3.31Å; I154-V186 WeakPolarHBondContact O-CA 3.48Å; I156-V186 HydrophobicContact CB-CG1 4.46Å; I156-V186 HydrophobicContact CG1-CG1 3.67Å; L169-V186 HydrophobicContact CD1-CG2 4.07Å; L169-V186 HydrophobicContact CD2-CG1 4.31Å; L169-V186 HydrophobicContact CD2-CG2 3.52Å; L169-V186 HydrophobicContact CG-CG2 4.47Å; V186-F215 HydrophobicContact CB-CE2 4.12Å; V186-F215 HydrophobicContact CB-CZ 3.77Å; V186-F215 HydrophobicContact CG1-CE2 3.47Å; V186-F215 VanDerWaalsContact CG1-CE2 3.47Å; V186-F215 HydrophobicContact CG1-CZ 3.62Å; V186-F215 WeakPolarHBondContact O-CZ 3.45Å; V186-L224 HydrophobicContact CG2-CB 4.3Å; V186-L224 HydrophobicContact CG2-CD1 3.81Å; V186-Q225 PolarHBondContact N-O 3.48Å; V186-I227 PolarHBondContact O-N 3.1Å
187	V	98.8	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.8	177.1	-177.9	0	0	0	0	108.9	M34 I153 I154 W155 I156 F215 I227 Q256	M34-V187 HydrophobicContact SD-CG2 3.9Å; I153-V187 HydrophobicContact CG2-CG2 3.54Å; I154-V187 PolarHBondContact O-N 3.33Å; W155-V187 WeakPolarHBondContact CA-O 3.07Å; W155-V187 HydrophobicContact CD2-CB 3.8Å; W155-V187 HydrophobicContact CD2-CG1 4.24Å; W155-V187 HydrophobicContact CD2-CG2 4.17Å; W155-V187 HydrophobicContact CE3-CB 4.41Å; W155-V187 HydrophobicContact CE3-CG2 4.4Å; W155-V187 HydrophobicContact CG-CB 3.94Å; W155-V187 HydrophobicContact CG-CG1 4.26Å; W155-V187 HydrophobicContact CH2-CG2 4.19Å; W155-V187 HydrophobicContact CZ2-CB 4.3Å; W155-V187 HydrophobicContact CZ2-CG1 4.28Å; W155-V187 HydrophobicContact CZ2-CG2 4.04Å; W155-V187 HydrophobicContact CZ3-CG2 4.35Å; W155-V187 VanDerWaalsContact NE1-CG1 3.34Å; I156-V187 PolarHBondContact N-O 3.3Å; V187-F215 VanDerWaalsContact C-CZ 3.49Å; V187-I227 HydrophobicContact CB-CB 4.39Å; V187-I227 HydrophobicContact CG2-CB 3.92Å; V187-I227 HydrophobicContact CG2-CG1 4.19Å; V187-I227 HydrophobicContact CG2-CG2 4.3Å; V187-Q256 HydrophobicContact CG1-CG 3.71Å
188	F	98.7	Very high	95.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.6	170.2	-173.3	-130.2	0	0	0	109.6	I156 L162 S190 F193 L208 A211 R212 F215 I227 I229 Q256	I156-F188 WeakPolarHBondContact O-CD2 3.47Å; L162-F188 HydrophobicContact CD1-CE2 4.48Å; F188-S190 PolarHBondContact O-N 3.45Å; F188-S190 VanDerWaalsContact O-N 3.13Å; F188-F193 HydrophobicContact CE2-CB 4.25Å; F188-F193 HydrophobicContact CE2-CD2 4.03Å; F188-F193 HydrophobicContact CE2-CG 4.01Å; F188-F193 HydrophobicContact CZ-CB 4.2Å; F188-F193 AromaticContact CZ-CD1 3.95Å; F188-F193 HydrophobicContact CZ-CD1 3.95Å; F188-F193 HydrophobicContact CZ-CD2 4.26Å; F188-F193 HydrophobicContact CZ-CE1 4.39Å; F188-F193 AromaticContact CZ-CG 3.86Å; F188-F193 HydrophobicContact CZ-CG 3.86Å; F188-L208 HydrophobicContact CE1-CB 4.47Å; F188-L208 HydrophobicContact CE1-CD1 4.11Å; F188-L208 HydrophobicContact CZ-CD2 4.5Å; F188-A211 HydrophobicContact CE1-CB 4.31Å; F188-A211 HydrophobicContact CE2-CB 4.31Å; F188-A211 HydrophobicContact CZ-CB 3.64Å; F188-R212 HydrophobicContact CD1-CG 3.74Å; F188-R212 HydrophobicContact CE1-CG 3.61Å; F188-F215 HydrophobicContact CB-CD1 3.86Å; F188-F215 HydrophobicContact CB-CD2 4Å; F188-F215 HydrophobicContact CB-CE1 3.76Å; F188-F215 HydrophobicContact CB-CE2 3.9Å; F188-F215 HydrophobicContact CB-CG 3.98Å; F188-F215 HydrophobicContact CB-CZ 3.77Å; F188-F215 HydrophobicContact CD2-CB 4.42Å; F188-F215 AromaticContact CD2-CD2 3.9Å; F188-F215 HydrophobicContact CD2-CD2 3.9Å; F188-F215 HydrophobicContact CD2-CE2 4.37Å; F188-F215 HydrophobicContact CD2-CG 4.15Å; F188-F215 HydrophobicContact CG-CD1 4.43Å; F188-F215 HydrophobicContact CG-CD2 4.23Å; F188-F215 HydrophobicContact CG-CG 4.16Å; F188-I227 PolarHBondContact N-O 2.84Å; F188-I229 HydrophobicContact CB-CG2 4.47Å; F188-I229 HydrophobicContact CD1-CG2 3.31Å; F188-I229 HydrophobicContact CE1-CG2 3.86Å; F188-I229 HydrophobicContact CG-CG2 4.28Å; F188-Q256 PolarHBondContact O-NE2 3.42Å
189	G	97.9	Very high	96.2	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	18%	0.178	C	C	.	.			trans	-80.3	84.5	177.7	0	0	0	0	0	111	I156 D191 F193	I156-G189 PolarHBondContact O-N 3.25Å; G189-D191 VanDerWaalsContact C-N 3.35Å; G189-D191 PolarHBondContact O-N 2.99Å; G189-F193 VanDerWaalsContact O-CB 3.23Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.39Å
190	S	97	Very high	96.8	Very high	2 Å²	2	33 Å²	33	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-38.3	-172.4	48.7	0	0	0	0	115.2	F188 F193 C194 L208 I229	F188-S190 PolarHBondContact O-N 3.45Å; F188-S190 VanDerWaalsContact O-N 3.13Å; S190-F193 PolarHBondContact O-N 3.28Å; S190-C194 WeakPolarHBondContact O-CB 3.44Å; S190-C194 PolarHBondContact O-N 2.89Å; S190-C194 PolarHBondContact O-SG 2.83Å; S190-L208 VanDerWaalsContact CB-CD1 3.44Å; S190-I229 VanDerWaalsContact CB-CG2 3.49Å; S190-I229 WeakPolarHBondContact OG-CB 3.28Å
191	D	95.6	Very high	96.9	Very high	66 Å²	66	35.1 Å²	35.1	35%	0.353	22%	0.217	S	C	.	.	H	α-helix	trans	-80.7	-42.6	-166.1	-65.3	5	0	0	0	109.4	G189 F193 C194 A195 R201 V230	G189-D191 VanDerWaalsContact C-N 3.35Å; G189-D191 PolarHBondContact O-N 2.99Å; D191-F193 VanDerWaalsContact C-N 3.3Å; D191-F193 PolarHBondContact O-N 3.38Å; D191-C194 PolarHBondContact O-N 3.07Å; D191-A195 WeakPolarHBondContact O-CB 3.07Å; D191-A195 PolarHBondContact O-N 3.39Å; D191-R201 IonicContact OD1-NE 3.52Å; D191-V230 WeakPolarHBondContact OD2-CG2 3.48Å
192	D	97.4	Very high	96.8	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-59.2	-41.2	165.9	-62.9	-70.2	0	0	0	111.5	K125 E157 C194 A195 D196	K125-D192 IonicContact NZ-OD1 2.76Å; K125-D192 IonicContact NZ-OD2 3.8Å; E157-D192 HydrophobicContact CB-CB 3.93Å; E157-D192 HydrophobicContact CG-CB 3.97Å; E157-D192 CarbonylContact O-C 3.46Å; E157-D192 VanDerWaalsContact O-C 3.22Å; E157-D192 VanDerWaalsContact OE2-OD2 3.13Å; D192-C194 PolarHBondContact O-N 3.29Å; D192-A195 WeakPolarHBondContact O-CB 3.36Å; D192-A195 PolarHBondContact O-N 2.84Å; D192-D196 WeakPolarHBondContact O-CB 3.39Å; D192-D196 PolarHBondContact O-N 3.26Å
193	F	98.5	Very high	96.6	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.057	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-45.7	177.8	-179.9	-89.8	0	0	0	111.7	E157 L162 F188 G189 S190 D191 A195 D196 I197 L208 A211	E157-F193 WeakPolarHBondContact O-CA 3.09Å; E157-F193 PolarHBondContact O-N 3.43Å; L162-F193 HydrophobicContact CB-CE2 4.08Å; L162-F193 HydrophobicContact CD2-CE2 3.58Å; L162-F193 HydrophobicContact CD2-CZ 3.83Å; L162-F193 HydrophobicContact CG-CE2 4.45Å; F188-F193 HydrophobicContact CE2-CB 4.25Å; F188-F193 HydrophobicContact CE2-CD2 4.03Å; F188-F193 HydrophobicContact CE2-CG 4.01Å; F188-F193 HydrophobicContact CZ-CB 4.2Å; F188-F193 AromaticContact CZ-CD1 3.95Å; F188-F193 HydrophobicContact CZ-CD1 3.95Å; F188-F193 HydrophobicContact CZ-CD2 4.26Å; F188-F193 HydrophobicContact CZ-CE1 4.39Å; F188-F193 AromaticContact CZ-CG 3.86Å; F188-F193 HydrophobicContact CZ-CG 3.86Å; G189-F193 VanDerWaalsContact O-CB 3.23Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.39Å; S190-F193 PolarHBondContact O-N 3.28Å; D191-F193 VanDerWaalsContact C-N 3.3Å; D191-F193 PolarHBondContact O-N 3.38Å; F193-A195 VanDerWaalsContact C-N 3.3Å; F193-A195 PolarHBondContact O-N 2.9Å; F193-D196 PolarHBondContact O-N 3.1Å; F193-I197 HydrophobicContact CD1-CD1 4.14Å; F193-I197 HydrophobicContact CD1-CG1 4.46Å; F193-I197 HydrophobicContact CE1-CD1 3.55Å; F193-I197 HydrophobicContact CE1-CG1 4.24Å; F193-I197 HydrophobicContact CE1-CG2 4.23Å; F193-I197 HydrophobicContact CE2-CG2 4.33Å; F193-I197 HydrophobicContact CZ-CD1 4.22Å; F193-I197 HydrophobicContact CZ-CG2 4.05Å; F193-I197 WeakPolarHBondContact O-CG1 3.47Å; F193-I197 PolarHBondContact O-N 3.08Å; F193-L208 HydrophobicContact CD1-CD2 3.52Å; F193-L208 HydrophobicContact CE1-CD2 3.81Å; F193-A211 HydrophobicContact CD1-CB 4.47Å; F193-A211 HydrophobicContact CE1-CB 3.69Å; F193-A211 HydrophobicContact CE2-CB 4.38Å; F193-A211 HydrophobicContact CZ-CB 3.65Å
194	C	98.1	Very high	96.3	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-43.2	174.3	-81.5	0	0	0	0	111.5	S190 D191 D192 I197 G198 A199	S190-C194 WeakPolarHBondContact O-CB 3.44Å; S190-C194 PolarHBondContact O-N 2.89Å; S190-C194 PolarHBondContact O-SG 2.83Å; D191-C194 PolarHBondContact O-N 3.07Å; D192-C194 PolarHBondContact O-N 3.29Å; C194-I197 PolarHBondContact O-N 3.43Å; C194-G198 CarbonylContact O-C 3.53Å; C194-G198 PolarHBondContact O-N 3.42Å; C194-A199 HydrophobicContact CB-CB 4.46Å; C194-A199 PolarHBondContact O-N 3.15Å
195	A	97.6	Very high	96.3	Very high	79 Å²	79	45.1 Å²	45.1	65%	0.653	27%	0.267	S	S	*	.	H	α-helix	trans	-62	-43.1	177.2	0	0	0	0	0	111.7	D191 D192 F193 G198	D191-A195 WeakPolarHBondContact O-CB 3.07Å; D191-A195 PolarHBondContact O-N 3.39Å; D192-A195 WeakPolarHBondContact O-CB 3.36Å; D192-A195 PolarHBondContact O-N 2.84Å; F193-A195 VanDerWaalsContact C-N 3.3Å; F193-A195 PolarHBondContact O-N 2.9Å; A195-G198 PolarHBondContact O-N 2.81Å
196	D	98.2	Very high	96.1	Very high	90 Å²	90	50.5 Å²	50.5	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-43.2	179.3	-174.8	65.3	0	0	0	112.5	S158 A159 D192 F193	S158-D196 WeakPolarHBondContact CA-OD2 3.35Å; S158-D196 WeakPolarHBondContact CB-OD2 3.44Å; A159-D196 WeakPolarHBondContact CB-OD2 3.49Å; A159-D196 PolarHBondContact N-OD2 3.36Å; D192-D196 WeakPolarHBondContact O-CB 3.39Å; D192-D196 PolarHBondContact O-N 3.26Å; F193-D196 PolarHBondContact O-N 3.1Å
197	I	97.9	Very high	96	Very high	78 Å²	78	53.5 Å²	53.5	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-87.9	-3.2	-179.8	71.1	167.1	0	0	0	114.2	A159 F193 C194 A199	A159-I197 HydrophobicContact CB-CG2 3.77Å; F193-I197 HydrophobicContact CD1-CD1 4.14Å; F193-I197 HydrophobicContact CD1-CG1 4.46Å; F193-I197 HydrophobicContact CE1-CD1 3.55Å; F193-I197 HydrophobicContact CE1-CG1 4.24Å; F193-I197 HydrophobicContact CE1-CG2 4.23Å; F193-I197 HydrophobicContact CE2-CG2 4.33Å; F193-I197 HydrophobicContact CZ-CD1 4.22Å; F193-I197 HydrophobicContact CZ-CG2 4.05Å; F193-I197 WeakPolarHBondContact O-CG1 3.47Å; F193-I197 PolarHBondContact O-N 3.08Å; C194-I197 PolarHBondContact O-N 3.43Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 HydrophobicContact CD1-CB 3.59Å; I197-A199 HydrophobicContact CG1-CB 3.59Å; I197-A199 PolarHBondContact O-N 2.98Å
198	G	97.8	Very high	96	Very high	66 Å²	66	53.5 Å²	53.5	68%	0.68	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	25.4	-174.8	0	0	0	0	0	114.2	C194 A195	C194-G198 CarbonylContact O-C 3.53Å; C194-G198 PolarHBondContact O-N 3.42Å; A195-G198 PolarHBondContact O-N 2.81Å
199	A	97.3	Very high	95.9	Very high	29 Å²	29	57.3 Å²	57.3	24%	0.24	33%	0.329	C	S	.	.			trans	-84.1	144.2	177.4	0	0	0	0	0	111.4	C194 I197 E207	C194-A199 HydrophobicContact CB-CB 4.46Å; C194-A199 PolarHBondContact O-N 3.15Å; I197-A199 VanDerWaalsContact C-N 3.3Å; I197-A199 HydrophobicContact CD1-CB 3.59Å; I197-A199 HydrophobicContact CG1-CB 3.59Å; I197-A199 PolarHBondContact O-N 2.98Å; A199-E207 HydrophobicContact CB-CG 4.41Å
200	T	96.1	Very high	95.9	Very high	129 Å²	129	64.3 Å²	64.3	79%	0.791	36%	0.359	S	S	*	.			trans	-88.6	126	171.5	-59.7	0	0	0	0	109.9	S202	T200-S202 PolarHBondContact O-N 3.23Å
201	R	92.3	Very high	95.9	Very high	59 Å²	59	64.4 Å²	64.4	22%	0.223	36%	0.36	C	S	.	.			trans	-70.1	115.8	179.8	-165.3	77	-179.8	110.2	6.4	111.3	D191 A205 E207	D191-R201 IonicContact OD1-NE 3.52Å; R201-A205 VanDerWaalsContact NH2-CB 3.28Å; R201-E207 WeakPolarHBondContact CA-OE1 3.24Å; R201-E207 IonicContact CZ-OE1 2.73Å; R201-E207 IonicContact NH1-OE1 3.24Å; R201-E207 PolarHBondContact NH1-OE1 3.05Å
202	S	92.4	Very high	96.1	Very high	40 Å²	40	61.5 Å²	61.5	28%	0.28	34%	0.344	S	S	.	.			trans	-88.9	163.3	171.6	72.2	0	0	0	0	111.4	T200 E204 A205 E207	T200-S202 PolarHBondContact O-N 3.23Å; S202-E204 PolarHBondContact O-N 2.67Å; S202-A205 PolarHBondContact O-N 3.28Å; S202-A205 PolarHBondContact OG-N 2.79Å; S202-E207 WeakPolarHBondContact CB-OE2 3.14Å; S202-E207 PolarHBondContact N-OE1 2.88Å; S202-E207 PolarHBondContact N-OE2 2.92Å; S202-E207 PolarHBondContact OG-OE2 2.73Å
203	K	89	Confident	96.1	Very high	120 Å²	120	63.2 Å²	63.2	52%	0.522	35%	0.35	S	S	.	.	S	Bend	trans	-64.4	-33.8	175.8	-179.8	176.3	-178	170.6	0	111.5	D236	K203-D236 WeakPolarHBondContact CE-OD2 3.47Å; K203-D236 IonicContact NZ-OD2 3.19Å; K203-D236 PolarHBondContact NZ-OD2 2.69Å
204	E	90	Very high	96.1	Very high	104 Å²	104	66 Å²	66	49%	0.486	36%	0.36	S	S	.	.	S	Bend	trans	-84.5	-15.4	-176	-65.7	64.1	-149.3	0	0	112.2	S202 N206	S202-E204 PolarHBondContact O-N 2.67Å; E204-N206 PolarHBondContact O-N 3.4Å
205	A	94.4	Very high	96.1	Very high	2 Å²	2	65.8 Å²	65.8	2%	0.017	36%	0.359	C	S	.	.			trans	62.2	23.4	178.9	0	0	0	0	0	115.5	R201 S202 E207 L208 I229	R201-A205 VanDerWaalsContact NH2-CB 3.28Å; S202-A205 PolarHBondContact O-N 3.28Å; S202-A205 PolarHBondContact OG-N 2.79Å; A205-E207 VanDerWaalsContact C-N 3.27Å; A205-E207 PolarHBondContact O-N 3.11Å; A205-L208 PolarHBondContact O-N 2.71Å; A205-I229 HydrophobicContact CB-CD1 4.11Å
206	N	94.7	Very high	96.2	Very high	114 Å²	114	62.3 Å²	62.3	61%	0.61	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.2	-32.5	-175.3	-71.3	-32.5	0	0	0	112.8	E204 L208 L209	E204-N206 PolarHBondContact O-N 3.4Å; N206-L208 PolarHBondContact O-N 3.04Å; N206-L208 VanDerWaalsContact O-N 3.15Å; N206-L209 WeakPolarHBondContact O-CB 3.25Å; N206-L209 PolarHBondContact O-N 3.39Å; N206-L209 VanDerWaalsContact O-N 3.1Å
207	E	96.5	Very high	96.2	Very high	62 Å²	62	62.6 Å²	62.6	29%	0.29	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-62.5	-17	175.5	69.4	-72.7	168.1	0	0	113.6	A199 R201 S202 A205	A199-E207 HydrophobicContact CB-CG 4.41Å; R201-E207 WeakPolarHBondContact CA-OE1 3.24Å; R201-E207 IonicContact CZ-OE1 2.73Å; R201-E207 IonicContact NH1-OE1 3.24Å; R201-E207 PolarHBondContact NH1-OE1 3.05Å; S202-E207 WeakPolarHBondContact CB-OE2 3.14Å; S202-E207 PolarHBondContact N-OE1 2.88Å; S202-E207 PolarHBondContact N-OE2 2.92Å; S202-E207 PolarHBondContact OG-OE2 2.73Å; A205-E207 VanDerWaalsContact C-N 3.27Å; A205-E207 PolarHBondContact O-N 3.11Å
208	L	97.6	Very high	96.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-100.9	3.7	177.3	-62.4	-172.6	0	0	0	113.6	F188 S190 F193 A205 N206 F210 A211 R212 I229	F188-L208 HydrophobicContact CE1-CB 4.47Å; F188-L208 HydrophobicContact CE1-CD1 4.11Å; F188-L208 HydrophobicContact CZ-CD2 4.5Å; S190-L208 VanDerWaalsContact CB-CD1 3.44Å; F193-L208 HydrophobicContact CD1-CD2 3.52Å; F193-L208 HydrophobicContact CE1-CD2 3.81Å; A205-L208 PolarHBondContact O-N 2.71Å; N206-L208 PolarHBondContact O-N 3.04Å; N206-L208 VanDerWaalsContact O-N 3.15Å; L208-F210 PolarHBondContact O-N 3.32Å; L208-A211 PolarHBondContact O-N 3.27Å; L208-R212 HydrophobicContact CB-CG 4.09Å; L208-R212 WeakPolarHBondContact O-CB 3.08Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.34Å; L208-R212 PolarHBondContact O-N 3.02Å; L208-I229 HydrophobicContact CD1-CG2 4.44Å
209	L	97	Very high	96.2	Very high	80 Å²	80	56.4 Å²	56.4	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-57.8	-50.7	-170.6	-175.9	64.4	0	0	0	112.2	N206 Q213 M250	N206-L209 WeakPolarHBondContact O-CB 3.25Å; N206-L209 PolarHBondContact O-N 3.39Å; N206-L209 VanDerWaalsContact O-N 3.1Å; L209-Q213 WeakPolarHBondContact O-CB 3.19Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3Å; L209-M250 HydrophobicContact CD1-SD 4.44Å
210	F	97.6	Very high	96.2	Very high	152 Å²	152	58.8 Å²	58.8	67%	0.667	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-49.5	176.7	171.5	-99.8	0	0	0	111.2	L208 R212 Q213 Y214	L208-F210 PolarHBondContact O-N 3.32Å; F210-R212 VanDerWaalsContact C-N 3.34Å; F210-R212 PolarHBondContact O-N 3.06Å; F210-Q213 PolarHBondContact O-N 3.47Å; F210-Y214 HydrophobicContact CZ-CD2 4.48Å; F210-Y214 WeakPolarHBondContact O-CB 3.39Å; F210-Y214 PolarHBondContact O-N 3.4Å
211	A	98.4	Very high	96.2	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-43.6	-176.9	0	0	0	0	0	112.1	L162 F188 F193 L208 F215	L162-A211 HydrophobicContact CD2-CB 3.67Å; F188-A211 HydrophobicContact CE1-CB 4.31Å; F188-A211 HydrophobicContact CE2-CB 4.31Å; F188-A211 HydrophobicContact CZ-CB 3.64Å; F193-A211 HydrophobicContact CD1-CB 4.47Å; F193-A211 HydrophobicContact CE1-CB 3.69Å; F193-A211 HydrophobicContact CE2-CB 4.38Å; F193-A211 HydrophobicContact CZ-CB 3.65Å; L208-A211 PolarHBondContact O-N 3.27Å; A211-F215 WeakPolarHBondContact O-CB 3.27Å; A211-F215 PolarHBondContact O-N 3.32Å
212	R	98.4	Very high	96.3	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-44.7	177.4	-72.2	174.3	74	-160.1	3.8	112.4	F188 L208 F210 F215 V216 D228 I229 F252	F188-R212 HydrophobicContact CD1-CG 3.74Å; F188-R212 HydrophobicContact CE1-CG 3.61Å; L208-R212 HydrophobicContact CB-CG 4.09Å; L208-R212 WeakPolarHBondContact O-CB 3.08Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.34Å; L208-R212 PolarHBondContact O-N 3.02Å; F210-R212 VanDerWaalsContact C-N 3.34Å; F210-R212 PolarHBondContact O-N 3.06Å; R212-F215 PolarHBondContact O-N 3.32Å; R212-V216 WeakPolarHBondContact O-CG1 3.42Å; R212-V216 PolarHBondContact O-N 3.35Å; R212-D228 IonicContact CZ-OD1 3.39Å; R212-D228 IonicContact CZ-OD2 3.42Å; R212-D228 IonicContact NE-OD1 2.77Å; R212-D228 PolarHBondContact NE-OD1 3.37Å; R212-D228 IonicContact NH2-OD1 3.5Å; R212-D228 PolarHBondContact NH2-OD1 3.12Å; R212-D228 IonicContact NH2-OD2 2.77Å; R212-D228 PolarHBondContact NH2-OD2 3.23Å; R212-I229 HydrophobicContact CG-CG2 4.37Å; R212-F252 HydrophobicContact CB-CE2 4.11Å; R212-F252 HydrophobicContact CB-CZ 4.02Å; R212-F252 HydrophobicContact CG-CZ 4.36Å
213	Q	98.2	Very high	96.4	Very high	96 Å²	96	60 Å²	60	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-44.8	179.1	-73.2	-175.4	12.2	0	0	111.7	L209 F210 V216 T217 M250	L209-Q213 WeakPolarHBondContact O-CB 3.19Å; L209-Q213 WeakPolarHBondContact O-CG 3.44Å; L209-Q213 PolarHBondContact O-N 3Å; F210-Q213 PolarHBondContact O-N 3.47Å; Q213-V216 WeakPolarHBondContact O-CG1 3.15Å; Q213-V216 PolarHBondContact O-N 2.81Å; Q213-T217 PolarHBondContact O-N 3.13Å; Q213-T217 VanDerWaalsContact O-N 3.09Å; Q213-T217 PolarHBondContact O-OG1 2.92Å; Q213-M250 HydrophobicContact CG-CG 4.45Å; Q213-M250 HydrophobicContact CG-SD 3.89Å
214	Y	98.7	Very high	96.7	Very high	71 Å²	71	54.9 Å²	54.9	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-46.9	175	-177.9	-96.1	0	0	0	111.2	L162 P166 F210 V216 T217 V218	L162-Y214 HydrophobicContact CD1-CD1 3.87Å; L162-Y214 HydrophobicContact CD1-CE1 4.46Å; L162-Y214 HydrophobicContact CD2-CD1 4.48Å; L162-Y214 HydrophobicContact CG-CD1 3.9Å; L162-Y214 HydrophobicContact CG-CE1 4.31Å; L162-Y214 VanDerWaalsContact O-CE1 3.27Å; L162-Y214 WeakPolarHBondContact O-CE1 3.35Å; P166-Y214 WeakPolarHBondContact CG-OH 3.35Å; F210-Y214 HydrophobicContact CZ-CD2 4.48Å; F210-Y214 WeakPolarHBondContact O-CB 3.39Å; F210-Y214 PolarHBondContact O-N 3.4Å; Y214-V216 PolarHBondContact O-N 2.73Å; Y214-T217 PolarHBondContact O-N 3.03Å; Y214-V218 HydrophobicContact CD1-CG2 4.09Å; Y214-V218 HydrophobicContact CD2-CG2 4.49Å; Y214-V218 HydrophobicContact CE1-CG2 3.67Å; Y214-V218 HydrophobicContact CE2-CG2 4.11Å; Y214-V218 HydrophobicContact CG-CG2 4.49Å; Y214-V218 WeakPolarHBondContact O-CG2 3.23Å; Y214-V218 PolarHBondContact O-N 2.85Å
215	F	98.8	Very high	97	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-51.3	177.5	173.9	-91.5	0	0	0	112.3	I156 L162 V186 V187 F188 A211 R212 T217 V218 C219 A226 F252	I156-F215 HydrophobicContact CB-CD2 4.14Å; I156-F215 HydrophobicContact CB-CE2 3.89Å; I156-F215 HydrophobicContact CG1-CE2 4.16Å; I156-F215 HydrophobicContact CG2-CD2 4.41Å; L162-F215 HydrophobicContact CD1-CB 4Å; L162-F215 HydrophobicContact CD1-CD2 4.38Å; V186-F215 HydrophobicContact CB-CE2 4.12Å; V186-F215 HydrophobicContact CB-CZ 3.77Å; V186-F215 HydrophobicContact CG1-CE2 3.47Å; V186-F215 VanDerWaalsContact CG1-CE2 3.47Å; V186-F215 HydrophobicContact CG1-CZ 3.62Å; V186-F215 WeakPolarHBondContact O-CZ 3.45Å; V187-F215 VanDerWaalsContact C-CZ 3.49Å; F188-F215 HydrophobicContact CB-CD1 3.86Å; F188-F215 HydrophobicContact CB-CD2 4Å; F188-F215 HydrophobicContact CB-CE1 3.76Å; F188-F215 HydrophobicContact CB-CE2 3.9Å; F188-F215 HydrophobicContact CB-CG 3.98Å; F188-F215 HydrophobicContact CB-CZ 3.77Å; F188-F215 HydrophobicContact CD2-CB 4.42Å; F188-F215 AromaticContact CD2-CD2 3.9Å; F188-F215 HydrophobicContact CD2-CD2 3.9Å; F188-F215 HydrophobicContact CD2-CE2 4.37Å; F188-F215 HydrophobicContact CD2-CG 4.15Å; F188-F215 HydrophobicContact CG-CD1 4.43Å; F188-F215 HydrophobicContact CG-CD2 4.23Å; F188-F215 HydrophobicContact CG-CG 4.16Å; A211-F215 WeakPolarHBondContact O-CB 3.27Å; A211-F215 PolarHBondContact O-N 3.32Å; R212-F215 PolarHBondContact O-N 3.32Å; F215-T217 PolarHBondContact O-N 3.44Å; F215-V218 PolarHBondContact O-N 2.82Å; F215-C219 VanDerWaalsContact CZ-SG 3.54Å; F215-C219 PolarHBondContact O-N 2.9Å; F215-C219 PolarHBondContact O-SG 2.93Å; F215-A226 HydrophobicContact CE1-CB 3.97Å; F215-F252 AromaticContact CD1-CE1 3.56Å; F215-F252 HydrophobicContact CD1-CE1 3.56Å; F215-F252 AromaticContact CD1-CZ 3.88Å; F215-F252 HydrophobicContact CD1-CZ 3.88Å; F215-F252 HydrophobicContact CE1-CD1 4.46Å; F215-F252 AromaticContact CE1-CE1 3.68Å; F215-F252 HydrophobicContact CE1-CE1 3.68Å; F215-F252 HydrophobicContact CE1-CZ 4.46Å
216	V	98.3	Very high	97.2	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-41.2	-179	67.5	0	0	0	0	111.1	R212 Q213 Y214 V218 C219 K220 A226 M250 G251 F252	R212-V216 WeakPolarHBondContact O-CG1 3.42Å; R212-V216 PolarHBondContact O-N 3.35Å; Q213-V216 WeakPolarHBondContact O-CG1 3.15Å; Q213-V216 PolarHBondContact O-N 2.81Å; Y214-V216 PolarHBondContact O-N 2.73Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V216-V218 PolarHBondContact O-N 2.99Å; V216-C219 PolarHBondContact O-N 2.83Å; V216-K220 HydrophobicContact CG2-CG 4.1Å; V216-K220 WeakPolarHBondContact O-CB 3.31Å; V216-K220 VanDerWaalsContact O-CG 3.25Å; V216-K220 WeakPolarHBondContact O-CG 3.39Å; V216-K220 PolarHBondContact O-N 2.77Å; V216-A226 HydrophobicContact CB-CB 4.47Å; V216-A226 HydrophobicContact CG2-CB 3.98Å; V216-M250 WeakPolarHBondContact CG1-O 3.48Å; V216-G251 VanDerWaalsContact CG2-C 3.49Å; V216-G251 WeakPolarHBondContact CG2-O 3.48Å; V216-F252 HydrophobicContact CB-CD2 4.33Å; V216-F252 HydrophobicContact CB-CE2 4.06Å; V216-F252 HydrophobicContact CB-CZ 4.22Å; V216-F252 HydrophobicContact CG1-CE2 4.4Å; V216-F252 HydrophobicContact CG2-CD2 4.41Å
217	T	98.5	Very high	97.4	Very high	96 Å²	96	45.1 Å²	45.1	59%	0.589	22%	0.219	S	C	*	.	H	α-helix	trans	-57.7	-47.1	176.1	-61.5	0	0	0	0	111.4	Q213 Y214 F215 K220 A221	Q213-T217 PolarHBondContact O-N 3.13Å; Q213-T217 VanDerWaalsContact O-N 3.09Å; Q213-T217 PolarHBondContact O-OG1 2.92Å; Y214-T217 PolarHBondContact O-N 3.03Å; F215-T217 PolarHBondContact O-N 3.44Å; T217-K220 PolarHBondContact O-N 3.38Å; T217-A221 PolarHBondContact O-N 3.41Å
218	V	98.5	Very high	97.4	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-43.3	179.7	174.8	0	0	0	0	111.2	A165 P166 L169 Y214 F215 V216 K220 A221 Y222	A165-V218 HydrophobicContact CB-CG1 3.9Å; P166-V218 HydrophobicContact CG-CG1 4.06Å; P166-V218 HydrophobicContact CG-CG2 4.08Å; L169-V218 HydrophobicContact CD1-CG1 3.72Å; L169-V218 HydrophobicContact CG-CG1 4.45Å; Y214-V218 HydrophobicContact CD1-CG2 4.09Å; Y214-V218 HydrophobicContact CD2-CG2 4.49Å; Y214-V218 HydrophobicContact CE1-CG2 3.67Å; Y214-V218 HydrophobicContact CE2-CG2 4.11Å; Y214-V218 HydrophobicContact CG-CG2 4.49Å; Y214-V218 WeakPolarHBondContact O-CG2 3.23Å; Y214-V218 PolarHBondContact O-N 2.85Å; F215-V218 PolarHBondContact O-N 2.82Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V216-V218 PolarHBondContact O-N 2.99Å; V218-K220 PolarHBondContact O-N 3.24Å; V218-A221 WeakPolarHBondContact O-CB 3.38Å; V218-A221 PolarHBondContact O-N 3.43Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å
219	C	98.4	Very high	97.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-44.4	175.4	-65.7	0	0	0	0	112.3	F215 V216 A221 Y222 R223 L224 A226	F215-C219 VanDerWaalsContact CZ-SG 3.54Å; F215-C219 PolarHBondContact O-N 2.9Å; F215-C219 PolarHBondContact O-SG 2.93Å; V216-C219 PolarHBondContact O-N 2.83Å; C219-A221 VanDerWaalsContact C-N 3.32Å; C219-A221 PolarHBondContact O-N 3.12Å; C219-Y222 PolarHBondContact O-N 3.39Å; C219-R223 PolarHBondContact O-N 2.78Å; C219-L224 PolarHBondContact O-N 2.64Å; C219-A226 HydrophobicContact CB-CB 3.88Å
220	K	96	Very high	97.4	Very high	79 Å²	79	39.2 Å²	39.2	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-71.2	-25.8	-179.2	-64.1	-52.2	176.9	-168.5	0	113.2	V216 T217 V218 Y222 R223 L224 G251 T253	V216-K220 HydrophobicContact CG2-CG 4.1Å; V216-K220 WeakPolarHBondContact O-CB 3.31Å; V216-K220 VanDerWaalsContact O-CG 3.25Å; V216-K220 WeakPolarHBondContact O-CG 3.39Å; V216-K220 PolarHBondContact O-N 2.77Å; T217-K220 PolarHBondContact O-N 3.38Å; V218-K220 PolarHBondContact O-N 3.24Å; K220-Y222 PolarHBondContact O-N 3.09Å; K220-R223 PolarHBondContact O-N 2.7Å; K220-L224 PolarHBondContact NZ-O 2.93Å; K220-G251 WeakPolarHBondContact CE-O 3.18Å; K220-T253 PolarHBondContact NZ-OG1 3.42Å
221	A	96.8	Very high	97.4	Very high	66 Å²	66	32.6 Å²	32.6	55%	0.545	16%	0.162	S	C	.	.	H	α-helix	trans	-57	-31.1	171.1	0	0	0	0	0	112.2	T217 V218 C219	T217-A221 PolarHBondContact O-N 3.41Å; V218-A221 WeakPolarHBondContact O-CB 3.38Å; V218-A221 PolarHBondContact O-N 3.43Å; C219-A221 VanDerWaalsContact C-N 3.32Å; C219-A221 PolarHBondContact O-N 3.12Å
222	Y	95.2	Very high	97.1	Very high	48 Å²	48	37.1 Å²	37.1	19%	0.188	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.5	176.2	-62.2	-78.4	0	0	0	113.8	I18 P166 L169 A170 A173 V218 C219 K220 L224	I18-Y222 HydrophobicContact CD1-CE1 4.38Å; P166-Y222 PolarHBondContact O-OH 3.32Å; L169-Y222 HydrophobicContact CB-CD2 3.48Å; L169-Y222 VanDerWaalsContact CB-CD2 3.48Å; L169-Y222 HydrophobicContact CB-CE2 3.65Å; L169-Y222 HydrophobicContact CB-CG 4.11Å; L169-Y222 HydrophobicContact CD1-CD2 4.02Å; L169-Y222 HydrophobicContact CG-CD2 4.4Å; A170-Y222 HydrophobicContact CB-CE1 4.1Å; A170-Y222 WeakPolarHBondContact CB-OH 3.49Å; A173-Y222 HydrophobicContact CB-CD1 4.19Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å; C219-Y222 PolarHBondContact O-N 3.39Å; K220-Y222 PolarHBondContact O-N 3.09Å; Y222-L224 PolarHBondContact O-N 2.77Å
223	R	92.9	Very high	96.8	Very high	140 Å²	140	40.5 Å²	40.5	53%	0.528	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	28.3	-175.7	-55.2	-173.9	177	101.3	-7.3	114.2	L20 C219 K220	L20-R223 VanDerWaalsContact CD2-NH1 3.31Å; C219-R223 PolarHBondContact O-N 2.78Å; K220-R223 PolarHBondContact O-N 2.7Å
224	L	95.5	Very high	96.6	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.063	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-83.9	154.1	178.7	-60.3	171.7	0	0	0	111.4	L169 L183 V186 C219 K220 Y222 A226	L169-L224 HydrophobicContact CB-CD1 4.38Å; L169-L224 HydrophobicContact CD1-CD1 4.08Å; L169-L224 HydrophobicContact CD2-CD1 4.12Å; L169-L224 HydrophobicContact CG-CD1 4.41Å; L183-L224 HydrophobicContact CD2-CD1 3.61Å; L183-L224 HydrophobicContact CD2-CD2 4.49Å; L183-L224 HydrophobicContact CG-CD1 3.87Å; L183-L224 HydrophobicContact CG-CD2 3.97Å; L183-L224 WeakPolarHBondContact O-CD2 3.21Å; V186-L224 HydrophobicContact CG2-CB 4.3Å; V186-L224 HydrophobicContact CG2-CD1 3.81Å; C219-L224 PolarHBondContact O-N 2.64Å; K220-L224 PolarHBondContact NZ-O 2.93Å; Y222-L224 PolarHBondContact O-N 2.77Å; L224-A226 PolarHBondContact O-N 3.07Å
225	Q	96.6	Very high	96.4	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.5	168.7	-59.8	-173.6	51	0	0	108.9	C28 V29 E184 A185 V186 I227 T253	C28-Q225 PolarHBondContact SG-NE2 3.21Å; V29-Q225 PolarHBondContact O-NE2 2.79Å; V29-Q225 PolarHBondContact O-OE1 2.88Å; E184-Q225 PolarHBondContact O-N 3.38Å; A185-Q225 CarbonylContact C-O 3.44Å; A185-Q225 VanDerWaalsContact CA-O 3.26Å; A185-Q225 WeakPolarHBondContact CA-O 3.39Å; A185-Q225 HydrophobicContact CB-CB 3.75Å; V186-Q225 PolarHBondContact N-O 3.48Å; Q225-I227 HydrophobicContact CB-CD1 4.29Å; Q225-T253 HydrophobicContact CB-CG2 3.89Å; Q225-T253 HydrophobicContact CG-CG2 3.87Å; Q225-T253 VanDerWaalsContact OE1-CG2 3.28Å
226	A	98.2	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.8	175.2	0	0	0	0	0	107.9	F215 V216 C219 L224 F252 T253 G254	F215-A226 HydrophobicContact CE1-CB 3.97Å; V216-A226 HydrophobicContact CB-CB 4.47Å; V216-A226 HydrophobicContact CG2-CB 3.98Å; C219-A226 HydrophobicContact CB-CB 3.88Å; L224-A226 PolarHBondContact O-N 3.07Å; A226-F252 HydrophobicContact CB-CD1 3.86Å; A226-F252 HydrophobicContact CB-CE1 4.33Å; A226-T253 PolarHBondContact O-N 2.87Å; A226-G254 PolarHBondContact O-N 3.38Å
227	I	98.6	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.2	-179.5	-48.8	-57.2	0	0	0	108.7	R31 M34 A185 V186 V187 F188 Q225 Q256	R31-I227 HydrophobicContact CB-CD1 4.03Å; R31-I227 WeakPolarHBondContact O-CD1 3.33Å; M34-I227 HydrophobicContact CB-CG2 4.36Å; M34-I227 HydrophobicContact CE-CG1 4.13Å; M34-I227 HydrophobicContact SD-CG2 4.48Å; A185-I227 HydrophobicContact CB-CG1 4.35Å; V186-I227 PolarHBondContact O-N 3.1Å; V187-I227 HydrophobicContact CB-CB 4.39Å; V187-I227 HydrophobicContact CG2-CB 3.92Å; V187-I227 HydrophobicContact CG2-CG1 4.19Å; V187-I227 HydrophobicContact CG2-CG2 4.3Å; F188-I227 PolarHBondContact N-O 2.84Å; Q225-I227 HydrophobicContact CB-CD1 4.29Å; I227-Q256 HydrophobicContact CG2-CG 4.02Å
228	D	98.4	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	167.6	-174.7	-169.1	40.6	0	0	0	112.3	R212 A247 F252 G254 K255 Q256	R212-D228 IonicContact CZ-OD1 3.39Å; R212-D228 IonicContact CZ-OD2 3.42Å; R212-D228 IonicContact NE-OD1 2.77Å; R212-D228 PolarHBondContact NE-OD1 3.37Å; R212-D228 IonicContact NH2-OD1 3.5Å; R212-D228 PolarHBondContact NH2-OD1 3.12Å; R212-D228 IonicContact NH2-OD2 2.77Å; R212-D228 PolarHBondContact NH2-OD2 3.23Å; D228-A247 HydrophobicContact CB-CB 4Å; D228-A247 WeakPolarHBondContact OD2-CB 3.47Å; D228-F252 VanDerWaalsContact CA-CD1 3.5Å; D228-F252 HydrophobicContact CB-CB 4.13Å; D228-F252 HydrophobicContact CB-CD1 3.48Å; D228-F252 VanDerWaalsContact CB-CD1 3.48Å; D228-F252 HydrophobicContact CB-CD2 4.37Å; D228-F252 HydrophobicContact CB-CE1 3.88Å; D228-F252 HydrophobicContact CB-CG 3.75Å; D228-F252 HydrophobicContact CB-CZ 4.48Å; D228-G254 VanDerWaalsContact CB-O 3.29Å; D228-G254 WeakPolarHBondContact CB-O 3.45Å; D228-G254 PolarHBondContact N-O 2.84Å; D228-K255 HydrophobicContact CB-CB 4.25Å; D228-K255 HydrophobicContact CB-CG 4.11Å; D228-K255 IonicContact OD2-NZ 2.7Å; D228-K255 PolarHBondContact OD2-NZ 2.94Å; D228-Q256 VanDerWaalsContact O-CG 3.32Å; D228-Q256 WeakPolarHBondContact O-CG 3.33Å; D228-Q256 PolarHBondContact O-N 3.39Å; D228-Q256 PolarHBondContact O-NE2 2.98Å
229	I	97.7	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-55.3	162.7	-176.7	69.7	-163.8	0	0	0	114.1	F188 S190 A205 L208 R212 K255	F188-I229 HydrophobicContact CB-CG2 4.47Å; F188-I229 HydrophobicContact CD1-CG2 3.31Å; F188-I229 HydrophobicContact CE1-CG2 3.86Å; F188-I229 HydrophobicContact CG-CG2 4.28Å; S190-I229 VanDerWaalsContact CB-CG2 3.49Å; S190-I229 WeakPolarHBondContact OG-CB 3.28Å; A205-I229 HydrophobicContact CB-CD1 4.11Å; L208-I229 HydrophobicContact CD1-CG2 4.44Å; R212-I229 HydrophobicContact CG-CG2 4.37Å; I229-K255 VanDerWaalsContact CG1-NZ 3.26Å; I229-K255 VanDerWaalsContact O-CE 3.24Å; I229-K255 WeakPolarHBondContact O-CE 3.27Å; I229-K255 WeakPolarHBondContact O-CG 3.16Å; I229-K255 PolarHBondContact O-NZ 2.9Å
230	V	96.9	Very high	96.2	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-69.5	156.4	169.8	-68.8	0	0	0	0	111.8	D191 I232 Q256 I258	D191-V230 WeakPolarHBondContact OD2-CG2 3.48Å; V230-I232 HydrophobicContact CG2-CG1 4.26Å; V230-Q256 HydrophobicContact CB-CB 4.48Å; V230-Q256 HydrophobicContact CG1-CB 3.55Å; V230-Q256 HydrophobicContact CG1-CG 4.47Å; V230-I258 HydrophobicContact CB-CG2 4.07Å; V230-I258 HydrophobicContact CG1-CG2 3.77Å
231	F	96.2	Very high	96.2	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	26%	0.255	C	S	.	.			trans	-115	108.3	165.1	-169.5	-93.8	0	0	0	109.1	D233 D236 L240 Q243 I258 Q262	F231-D233 VanDerWaalsContact CD1-O 3.27Å; F231-D233 WeakPolarHBondContact CD1-O 3.36Å; F231-D233 HydrophobicContact CE1-CB 4.02Å; F231-D233 WeakPolarHBondContact CE1-O 3.2Å; F231-D236 HydrophobicContact CE1-CB 4.04Å; F231-D236 VanDerWaalsContact CE1-O 3.25Å; F231-D236 WeakPolarHBondContact CE1-O 3.47Å; F231-D236 HydrophobicContact CZ-CB 4.36Å; F231-L240 HydrophobicContact CB-CD1 3.59Å; F231-L240 HydrophobicContact CD1-CB 3.82Å; F231-L240 HydrophobicContact CD1-CD1 4.28Å; F231-L240 HydrophobicContact CE1-CB 4.08Å; F231-L240 HydrophobicContact CG-CB 4.14Å; F231-L240 HydrophobicContact CG-CD1 3.98Å; F231-Q243 HydrophobicContact CD2-CB 4.37Å; F231-I258 WeakPolarHBondContact O-CD1 3.45Å; F231-Q262 PolarHBondContact O-NE2 3.37Å
232	I	92	Very high	96.2	Very high	99 Å²	99	53.5 Å²	53.5	51%	0.508	26%	0.256	S	S	.	.	S	Bend	trans	-70.6	-38.9	-165	-59.6	170.7	0	0	0	112.5	V230 F234 I258	V230-I232 HydrophobicContact CG2-CG1 4.26Å; I232-F234 PolarHBondContact O-N 3.31Å; I232-I258 VanDerWaalsContact O-CD1 3.28Å; I232-I258 WeakPolarHBondContact O-CD1 3.35Å
233	D	93.4	Very high	96.3	Very high	75 Å²	75	51.6 Å²	51.6	40%	0.401	25%	0.249	S	C	.	.			trans	-78.5	89	178.2	-172.9	-8.4	0	0	0	110.5	F231 K235 D236	F231-D233 VanDerWaalsContact CD1-O 3.27Å; F231-D233 WeakPolarHBondContact CD1-O 3.36Å; F231-D233 HydrophobicContact CE1-CB 4.02Å; F231-D233 WeakPolarHBondContact CE1-O 3.2Å; D233-K235 PolarHBondContact O-N 3.14Å; D233-K235 VanDerWaalsContact O-N 3.12Å; D233-K235 WeakPolarHBondContact OD1-CB 3.42Å; D233-K235 PolarHBondContact OD1-N 3.11Å; D233-D236 HydrophobicContact CB-CB 4.21Å; D233-D236 PolarHBondContact O-N 3.04Å; D233-D236 PolarHBondContact OD1-N 3.28Å; D233-D236 WeakPolarHBondContact OD2-CB 3.5Å
234	F	92.8	Very high	96.5	Very high	84 Å²	84	44.9 Å²	44.9	37%	0.368	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.6	-178.8	75	-89.7	0	0	0	114.4	I232 I258 H259	I232-F234 PolarHBondContact O-N 3.31Å; F234-I258 HydrophobicContact CB-CD1 4.41Å; F234-H259 HydrophobicContact CB-CB 3.71Å; F234-H259 HydrophobicContact CD2-CB 4.33Å; F234-H259 AromaticContact CD2-CG 3.85Å; F234-H259 AromaticContact CD2-ND1 3.95Å; F234-H259 HydrophobicContact CG-CB 4.19Å
235	K	95.7	Very high	96.5	Very high	164 Å²	164	47.1 Å²	47.1	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-29.6	176.7	-63.1	-178.7	-179.8	177.5	0	111.7	D233 L237	D233-K235 PolarHBondContact O-N 3.14Å; D233-K235 VanDerWaalsContact O-N 3.12Å; D233-K235 WeakPolarHBondContact OD1-CB 3.42Å; D233-K235 PolarHBondContact OD1-N 3.11Å; K235-L237 VanDerWaalsContact C-N 3.33Å; K235-L237 PolarHBondContact O-N 2.7Å
236	D	96.9	Very high	96.5	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	25%	0.246	C	C	.	.			trans	-82.8	73.9	178	-174.4	9.8	0	0	0	112.3	K203 F231 D233 T238 G239 L240	K203-D236 WeakPolarHBondContact CE-OD2 3.47Å; K203-D236 IonicContact NZ-OD2 3.19Å; K203-D236 PolarHBondContact NZ-OD2 2.69Å; F231-D236 HydrophobicContact CE1-CB 4.04Å; F231-D236 VanDerWaalsContact CE1-O 3.25Å; F231-D236 WeakPolarHBondContact CE1-O 3.47Å; F231-D236 HydrophobicContact CZ-CB 4.36Å; D233-D236 HydrophobicContact CB-CB 4.21Å; D233-D236 PolarHBondContact O-N 3.04Å; D233-D236 PolarHBondContact OD1-N 3.28Å; D233-D236 WeakPolarHBondContact OD2-CB 3.5Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 PolarHBondContact OD1-N 2.91Å; D236-G239 PolarHBondContact O-N 3.13Å; D236-G239 PolarHBondContact OD1-N 3.11Å; D236-L240 PolarHBondContact O-N 3.27Å
237	L	97.6	Very high	96.4	Very high	59 Å²	59	49.6 Å²	49.6	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-24	177.6	-61.4	-177.2	0	0	0	113	K235 L240 K241 Q262 I265	K235-L237 VanDerWaalsContact C-N 3.33Å; K235-L237 PolarHBondContact O-N 2.7Å; L237-L240 HydrophobicContact CD2-CD2 4.07Å; L237-K241 WeakPolarHBondContact O-CB 3.33Å; L237-K241 PolarHBondContact O-N 2.83Å; L237-Q262 HydrophobicContact CD2-CG 4.22Å; L237-I265 HydrophobicContact CB-CG1 4.39Å; L237-I265 HydrophobicContact CD1-CG1 4.37Å; L237-I265 HydrophobicContact CD2-CG1 4.31Å
238	T	97.5	Very high	96.3	Very high	115 Å²	115	52.4 Å²	52.4	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-71.9	-47.9	176.3	-59.3	0	0	0	0	110.6	D236 L240 K241 K242	D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 PolarHBondContact OD1-N 2.91Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-K241 PolarHBondContact O-N 3.14Å; T238-K242 PolarHBondContact O-N 2.84Å
239	G	96.9	Very high	96	Very high	16 Å²	16	57.9 Å²	57.9	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-42.6	173.5	0	0	0	0	0	112	D236 K241 K242 Q243	D236-G239 PolarHBondContact O-N 3.13Å; D236-G239 PolarHBondContact OD1-N 3.11Å; G239-K241 PolarHBondContact O-N 2.89Å; G239-K242 PolarHBondContact O-N 2.8Å; G239-Q243 PolarHBondContact O-N 3.33Å
240	L	97.7	Very high	95.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-51.7	172.6	171.5	69.2	0	0	0	111.7	F231 D236 L237 T238 K242 Q243 C244 K255 Q262 I265 V266	F231-L240 HydrophobicContact CB-CD1 3.59Å; F231-L240 HydrophobicContact CD1-CB 3.82Å; F231-L240 HydrophobicContact CD1-CD1 4.28Å; F231-L240 HydrophobicContact CE1-CB 4.08Å; F231-L240 HydrophobicContact CG-CB 4.14Å; F231-L240 HydrophobicContact CG-CD1 3.98Å; D236-L240 PolarHBondContact O-N 3.27Å; L237-L240 HydrophobicContact CD2-CD2 4.07Å; T238-L240 VanDerWaalsContact C-N 3.33Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 2.96Å; L240-Q243 PolarHBondContact O-N 3.41Å; L240-C244 PolarHBondContact O-N 3.06Å; L240-C244 PolarHBondContact O-SG 3.21Å; L240-K255 HydrophobicContact CD1-CD 4.24Å; L240-Q262 HydrophobicContact CD2-CB 3.51Å; L240-Q262 HydrophobicContact CD2-CG 3.67Å; L240-I265 HydrophobicContact CD2-CB 3.95Å; L240-I265 HydrophobicContact CD2-CG2 3.93Å; L240-I265 HydrophobicContact CG-CG2 4.22Å; L240-V266 HydrophobicContact CD1-CG2 3.89Å; L240-V266 HydrophobicContact CD2-CG2 4.1Å; L240-V266 HydrophobicContact CG-CG2 4.26Å
241	K	97.3	Very high	95.8	Very high	102 Å²	102	60.7 Å²	60.7	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-44.1	-179	-176.3	177	177.9	178.2	0	111.3	L237 T238 G239 C244 I245 I265	L237-K241 WeakPolarHBondContact O-CB 3.33Å; L237-K241 PolarHBondContact O-N 2.83Å; T238-K241 PolarHBondContact O-N 3.14Å; G239-K241 PolarHBondContact O-N 2.89Å; K241-C244 PolarHBondContact O-N 3.12Å; K241-I245 HydrophobicContact CG-CD1 4.15Å; K241-I245 WeakPolarHBondContact O-CG1 3.37Å; K241-I245 PolarHBondContact O-N 3.02Å; K241-I245 VanDerWaalsContact O-N 3.07Å; K241-I265 HydrophobicContact CB-CG2 3.77Å; K241-I265 HydrophobicContact CG-CG2 4.37Å
242	K	96.7	Very high	95.9	Very high	130 Å²	130	60.4 Å²	60.4	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-57.5	-51.9	176.4	-177.1	-174.3	173.7	-169	0	111	T238 G239 L240 C244 I245 E246	T238-K242 PolarHBondContact O-N 2.84Å; G239-K242 PolarHBondContact O-N 2.8Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 2.96Å; K242-C244 VanDerWaalsContact C-N 3.29Å; K242-C244 PolarHBondContact O-N 3.27Å; K242-I245 PolarHBondContact O-N 3.03Å; K242-I245 VanDerWaalsContact O-N 3.15Å; K242-E246 WeakPolarHBondContact CE-OE1 3.46Å; K242-E246 WeakPolarHBondContact O-CG 3.28Å; K242-E246 PolarHBondContact O-N 3.21Å
243	Q	96.8	Very high	96.1	Very high	8 Å²	8	56 Å²	56	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-32.2	-179	-165.2	-178.7	84.8	0	0	112.7	F231 G239 L240 E246 A247	F231-Q243 HydrophobicContact CD2-CB 4.37Å; G239-Q243 PolarHBondContact O-N 3.33Å; L240-Q243 PolarHBondContact O-N 3.41Å; Q243-E246 PolarHBondContact O-N 3Å; Q243-A247 WeakPolarHBondContact O-CB 3.5Å; Q243-A247 PolarHBondContact O-N 3.08Å
244	C	97.5	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-42.2	173.5	-65.6	0	0	0	0	112.1	L240 K241 K242 A247 R248 K255 A269 F270	L240-C244 PolarHBondContact O-N 3.06Å; L240-C244 PolarHBondContact O-SG 3.21Å; K241-C244 PolarHBondContact O-N 3.12Å; K242-C244 VanDerWaalsContact C-N 3.29Å; K242-C244 PolarHBondContact O-N 3.27Å; C244-A247 PolarHBondContact O-N 2.85Å; C244-R248 WeakPolarHBondContact O-CB 3.32Å; C244-R248 PolarHBondContact O-N 3.06Å; C244-K255 WeakPolarHBondContact SG-CD 3.14Å; C244-A269 HydrophobicContact CB-CB 3.39Å; C244-F270 HydrophobicContact CB-CD2 4.25Å; C244-F270 HydrophobicContact CB-CE2 3.77Å
245	I	95.5	Very high	96.5	Very high	59 Å²	59	48.5 Å²	48.5	30%	0.303	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-43.4	177.2	-67.5	165.1	0	0	0	110.1	K241 K242 A247 R248 N249	K241-I245 HydrophobicContact CG-CD1 4.15Å; K241-I245 WeakPolarHBondContact O-CG1 3.37Å; K241-I245 PolarHBondContact O-N 3.02Å; K241-I245 VanDerWaalsContact O-N 3.07Å; K242-I245 PolarHBondContact O-N 3.03Å; K242-I245 VanDerWaalsContact O-N 3.15Å; I245-A247 PolarHBondContact O-N 3.07Å; I245-R248 PolarHBondContact O-N 2.83Å; I245-N249 WeakPolarHBondContact O-CB 3.48Å; I245-N249 PolarHBondContact O-N 3.24Å; I245-N249 PolarHBondContact O-ND2 3.01Å; I245-N249 PolarHBondContact O-OD1 3.36Å
246	E	95.9	Very high	96.6	Very high	67 Å²	67	41.1 Å²	41.1	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-45.9	174.3	-69.2	167.1	-178.3	0	0	111.6	K242 Q243 N249 M250	K242-E246 WeakPolarHBondContact CE-OE1 3.46Å; K242-E246 WeakPolarHBondContact O-CG 3.28Å; K242-E246 PolarHBondContact O-N 3.21Å; Q243-E246 PolarHBondContact O-N 3Å; E246-N249 PolarHBondContact O-N 2.86Å; E246-M250 HydrophobicContact CB-CE 4.2Å; E246-M250 WeakPolarHBondContact O-CE 3.45Å; E246-M250 PolarHBondContact O-N 3.4Å
247	A	97.2	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176.7	0	0	0	0	0	112.3	D228 Q243 C244 I245 N249 M250 G251 F252 F270	D228-A247 HydrophobicContact CB-CB 4Å; D228-A247 WeakPolarHBondContact OD2-CB 3.47Å; Q243-A247 WeakPolarHBondContact O-CB 3.5Å; Q243-A247 PolarHBondContact O-N 3.08Å; C244-A247 PolarHBondContact O-N 2.85Å; I245-A247 PolarHBondContact O-N 3.07Å; A247-N249 VanDerWaalsContact C-N 3.29Å; A247-N249 PolarHBondContact O-N 2.85Å; A247-M250 WeakPolarHBondContact O-CB 3.21Å; A247-M250 PolarHBondContact O-N 3.37Å; A247-M250 VanDerWaalsContact O-N 3.12Å; A247-G251 PolarHBondContact O-N 3.48Å; A247-F252 HydrophobicContact CB-CB 4.07Å; A247-F252 HydrophobicContact CB-CD2 4.09Å; A247-F252 HydrophobicContact CB-CG 4.28Å; A247-F252 WeakPolarHBondContact O-CB 3.47Å; A247-F252 WeakPolarHBondContact O-CD2 3.49Å; A247-F252 PolarHBondContact O-N 3.08Å; A247-F270 HydrophobicContact CB-CE1 4.23Å; A247-F270 HydrophobicContact CB-CZ 3.78Å
248	R	95	Very high	96.6	Very high	59 Å²	59	40.3 Å²	40.3	22%	0.223	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-43.3	175.7	-176.7	-172.8	65.3	170.5	8.3	111.1	C244 I245 M250 G251 A269 F270 V271	C244-R248 WeakPolarHBondContact O-CB 3.32Å; C244-R248 PolarHBondContact O-N 3.06Å; I245-R248 PolarHBondContact O-N 2.83Å; R248-M250 VanDerWaalsContact C-N 3.28Å; R248-M250 PolarHBondContact O-N 2.81Å; R248-G251 WeakPolarHBondContact O-CA 3.24Å; R248-G251 PolarHBondContact O-N 3.41Å; R248-A269 VanDerWaalsContact CD-O 3.3Å; R248-A269 WeakPolarHBondContact CD-O 3.46Å; R248-A269 PolarHBondContact NH1-O 3.43Å; R248-F270 HydrophobicContact CB-CD1 4.13Å; R248-F270 HydrophobicContact CB-CE1 4.23Å; R248-V271 PolarHBondContact NH1-O 3.15Å
249	N	93.5	Very high	96.5	Very high	115 Å²	115	37.9 Å²	37.9	62%	0.615	19%	0.191	S	C	*	.	H	α-helix	trans	-65.3	-30.7	178.7	-68	-6.8	0	0	0	112.4	I245 E246 A247 G251	I245-N249 WeakPolarHBondContact O-CB 3.48Å; I245-N249 PolarHBondContact O-N 3.24Å; I245-N249 PolarHBondContact O-ND2 3.01Å; I245-N249 PolarHBondContact O-OD1 3.36Å; E246-N249 PolarHBondContact O-N 2.86Å; A247-N249 VanDerWaalsContact C-N 3.29Å; A247-N249 PolarHBondContact O-N 2.85Å; N249-G251 PolarHBondContact O-N 2.95Å
250	M	95.9	Very high	96.4	Very high	47 Å²	47	40 Å²	40	23%	0.232	20%	0.202	C	C	.	.	H	α-helix	trans	-73.4	-13	170.6	-73.9	-177.5	-95.2	0	0	113.4	L209 Q213 V216 E246 A247 R248 F252	L209-M250 HydrophobicContact CD1-SD 4.44Å; Q213-M250 HydrophobicContact CG-CG 4.45Å; Q213-M250 HydrophobicContact CG-SD 3.89Å; V216-M250 WeakPolarHBondContact CG1-O 3.48Å; E246-M250 HydrophobicContact CB-CE 4.2Å; E246-M250 WeakPolarHBondContact O-CE 3.45Å; E246-M250 PolarHBondContact O-N 3.4Å; A247-M250 WeakPolarHBondContact O-CB 3.21Å; A247-M250 PolarHBondContact O-N 3.37Å; A247-M250 VanDerWaalsContact O-N 3.12Å; R248-M250 VanDerWaalsContact C-N 3.28Å; R248-M250 PolarHBondContact O-N 2.81Å; M250-F252 HydrophobicContact CB-CD2 4.06Å; M250-F252 HydrophobicContact CB-CE2 4.29Å
251	G	94.3	Very high	96.4	Very high	31 Å²	31	43.2 Å²	43.2	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	10.5	-179.7	0	0	0	0	0	114.8	V216 K220 A247 R248 N249	V216-G251 VanDerWaalsContact CG2-C 3.49Å; V216-G251 WeakPolarHBondContact CG2-O 3.48Å; K220-G251 WeakPolarHBondContact CE-O 3.18Å; A247-G251 PolarHBondContact O-N 3.48Å; R248-G251 WeakPolarHBondContact O-CA 3.24Å; R248-G251 PolarHBondContact O-N 3.41Å; N249-G251 PolarHBondContact O-N 2.95Å
252	F	97.6	Very high	96.4	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	20%	0.2	C	C	.	.			trans	-63.3	144.8	170.8	-75.3	-92.2	0	0	0	110.7	R212 F215 V216 A226 D228 A247 M250 F270	R212-F252 HydrophobicContact CB-CE2 4.11Å; R212-F252 HydrophobicContact CB-CZ 4.02Å; R212-F252 HydrophobicContact CG-CZ 4.36Å; F215-F252 AromaticContact CD1-CE1 3.56Å; F215-F252 HydrophobicContact CD1-CE1 3.56Å; F215-F252 AromaticContact CD1-CZ 3.88Å; F215-F252 HydrophobicContact CD1-CZ 3.88Å; F215-F252 HydrophobicContact CE1-CD1 4.46Å; F215-F252 AromaticContact CE1-CE1 3.68Å; F215-F252 HydrophobicContact CE1-CE1 3.68Å; F215-F252 HydrophobicContact CE1-CZ 4.46Å; V216-F252 HydrophobicContact CB-CD2 4.33Å; V216-F252 HydrophobicContact CB-CE2 4.06Å; V216-F252 HydrophobicContact CB-CZ 4.22Å; V216-F252 HydrophobicContact CG1-CE2 4.4Å; V216-F252 HydrophobicContact CG2-CD2 4.41Å; A226-F252 HydrophobicContact CB-CD1 3.86Å; A226-F252 HydrophobicContact CB-CE1 4.33Å; D228-F252 VanDerWaalsContact CA-CD1 3.5Å; D228-F252 HydrophobicContact CB-CB 4.13Å; D228-F252 HydrophobicContact CB-CD1 3.48Å; D228-F252 VanDerWaalsContact CB-CD1 3.48Å; D228-F252 HydrophobicContact CB-CD2 4.37Å; D228-F252 HydrophobicContact CB-CE1 3.88Å; D228-F252 HydrophobicContact CB-CG 3.75Å; D228-F252 HydrophobicContact CB-CZ 4.48Å; A247-F252 HydrophobicContact CB-CB 4.07Å; A247-F252 HydrophobicContact CB-CD2 4.09Å; A247-F252 HydrophobicContact CB-CG 4.28Å; A247-F252 WeakPolarHBondContact O-CB 3.47Å; A247-F252 WeakPolarHBondContact O-CD2 3.49Å; A247-F252 PolarHBondContact O-N 3.08Å; M250-F252 HydrophobicContact CB-CD2 4.06Å; M250-F252 HydrophobicContact CB-CE2 4.29Å; F252-F270 HydrophobicContact CB-CE1 3.97Å
253	T	95.6	Very high	96.5	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.049	18%	0.176	C	C	.	.			trans	-84.7	-33.6	179.2	-65.3	0	0	0	0	112.2	Y30 K220 Q225 A226 F270	Y30-T253 HydrophobicContact CD2-CG2 3.93Å; Y30-T253 HydrophobicContact CE2-CG2 3.45Å; Y30-T253 VanDerWaalsContact CE2-CG2 3.45Å; K220-T253 PolarHBondContact NZ-OG1 3.42Å; Q225-T253 HydrophobicContact CB-CG2 3.89Å; Q225-T253 HydrophobicContact CG-CG2 3.87Å; Q225-T253 VanDerWaalsContact OE1-CG2 3.28Å; A226-T253 PolarHBondContact O-N 2.87Å; T253-F270 VanDerWaalsContact O-CD1 3.31Å; T253-F270 WeakPolarHBondContact O-CD1 3.5Å
254	G	97.5	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-168	-177.8	0	0	0	0	0	111.6	R31 R32 A226 D228 F270	R31-G254 WeakPolarHBondContact O-CA 3.09Å; R32-G254 CarbonylContact O-C 3.53Å; R32-G254 WeakPolarHBondContact O-CA 3.34Å; A226-G254 PolarHBondContact O-N 3.38Å; D228-G254 VanDerWaalsContact CB-O 3.29Å; D228-G254 WeakPolarHBondContact CB-O 3.45Å; D228-G254 PolarHBondContact N-O 2.84Å; G254-F270 VanDerWaalsContact C-CZ 3.43Å; G254-F270 WeakPolarHBondContact O-CZ 3.39Å
255	K	98.3	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.4	-176	-167.9	174.6	-172.2	58.7	0	111.8	R32 M34 D228 I229 L240 C244 V266 F270	R32-K255 PolarHBondContact O-N 2.79Å; M34-K255 PolarHBondContact N-O 3.1Å; M34-K255 VanDerWaalsContact N-O 3.12Å; D228-K255 HydrophobicContact CB-CB 4.25Å; D228-K255 HydrophobicContact CB-CG 4.11Å; D228-K255 IonicContact OD2-NZ 2.7Å; D228-K255 PolarHBondContact OD2-NZ 2.94Å; I229-K255 VanDerWaalsContact CG1-NZ 3.26Å; I229-K255 VanDerWaalsContact O-CE 3.24Å; I229-K255 WeakPolarHBondContact O-CE 3.27Å; I229-K255 WeakPolarHBondContact O-CG 3.16Å; I229-K255 PolarHBondContact O-NZ 2.9Å; L240-K255 HydrophobicContact CD1-CD 4.24Å; C244-K255 WeakPolarHBondContact SG-CD 3.14Å; K255-V266 HydrophobicContact CB-CG1 3.9Å; K255-F270 HydrophobicContact CB-CE2 3.56Å; K255-F270 HydrophobicContact CB-CZ 3.85Å; K255-F270 HydrophobicContact CD-CE2 4.44Å
256	Q	98.3	Very high	96.6	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.5	170.3	-65.6	-179.4	89.5	0	0	111.5	M34 Y36 V187 F188 I227 D228 V230	M34-Q256 WeakPolarHBondContact O-CA 3.23Å; Y36-Q256 HydrophobicContact CE2-CB 4.09Å; Y36-Q256 HydrophobicContact CE2-CG 4.08Å; Y36-Q256 WeakPolarHBondContact OH-CG 3.37Å; Y36-Q256 PolarHBondContact OH-OE1 3.08Å; V187-Q256 HydrophobicContact CG1-CG 3.71Å; F188-Q256 PolarHBondContact O-NE2 3.42Å; I227-Q256 HydrophobicContact CG2-CG 4.02Å; D228-Q256 VanDerWaalsContact O-CG 3.32Å; D228-Q256 WeakPolarHBondContact O-CG 3.33Å; D228-Q256 PolarHBondContact O-N 3.39Å; D228-Q256 PolarHBondContact O-NE2 2.98Å; V230-Q256 HydrophobicContact CB-CB 4.48Å; V230-Q256 HydrophobicContact CG1-CB 3.55Å; V230-Q256 HydrophobicContact CG1-CG 4.47Å
257	V	97.6	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.6	-177.4	170	0	0	0	0	110.3	A33 M34 M35 H259 Q262 V263 V266	A33-V257 HydrophobicContact CB-CG2 3.99Å; M34-V257 PolarHBondContact O-N 2.91Å; M35-V257 WeakPolarHBondContact CA-O 3.3Å; M35-V257 HydrophobicContact CB-CB 4.25Å; M35-V257 HydrophobicContact CB-CG1 4.32Å; M35-V257 HydrophobicContact CG-CG1 4.27Å; V257-H259 WeakPolarHBondContact CG1-O 3.47Å; V257-Q262 HydrophobicContact CG1-CB 3.8Å; V257-Q262 HydrophobicContact CG2-CB 4.46Å; V257-V263 HydrophobicContact CG1-CG2 3.77Å; V257-V266 HydrophobicContact CG2-CB 4.11Å; V257-V266 HydrophobicContact CG2-CG1 4.26Å; V257-V266 HydrophobicContact CG2-CG2 3.71Å
258	I	95.2	Very high	96.5	Very high	75 Å²	75	40 Å²	40	39%	0.385	22%	0.217	S	C	.	.	S	Bend	trans	-104.9	-11.5	-178.2	61.9	163.4	0	0	0	113.3	V230 F231 I232 F234 Q262	V230-I258 HydrophobicContact CB-CG2 4.07Å; V230-I258 HydrophobicContact CG1-CG2 3.77Å; F231-I258 WeakPolarHBondContact O-CD1 3.45Å; I232-I258 VanDerWaalsContact O-CD1 3.28Å; I232-I258 WeakPolarHBondContact O-CD1 3.35Å; F234-I258 HydrophobicContact CB-CD1 4.41Å; I258-Q262 VanDerWaalsContact CG1-OE1 3.3Å
259	H	95.8	Very high	96.5	Very high	64 Å²	64	37.4 Å²	37.4	30%	0.296	21%	0.209	S	C	.	.	S	Bend	trans	-146.4	142.2	-178.4	-168.4	-94.3	0	0	0	112.2	F234 V257 T261 Q262	F234-H259 HydrophobicContact CB-CB 3.71Å; F234-H259 HydrophobicContact CD2-CB 4.33Å; F234-H259 AromaticContact CD2-CG 3.85Å; F234-H259 AromaticContact CD2-ND1 3.95Å; F234-H259 HydrophobicContact CG-CB 4.19Å; V257-H259 WeakPolarHBondContact CG1-O 3.47Å; H259-T261 PolarHBondContact ND1-N 2.83Å; H259-T261 PolarHBondContact ND1-OG1 2.98Å; H259-T261 PolarHBondContact O-N 2.67Å; H259-T261 VanDerWaalsContact O-N 3.11Å; H259-Q262 HydrophobicContact CB-CG 4.35Å; H259-Q262 WeakPolarHBondContact O-CB 3.07Å; H259-Q262 PolarHBondContact O-N 3.02Å
260	P	95.9	Very high	96.6	Very high	61 Å²	61	32 Å²	32	40%	0.396	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-54.1	-34	-178.2	-27.5	33.1	0	0	0	115.1	M35 L51 Q262 V263	M35-P260 HydrophobicContact CE-CG 3.71Å; M35-P260 HydrophobicContact SD-CG 4.37Å; L51-P260 HydrophobicContact CD2-CB 4.41Å; L51-P260 HydrophobicContact CD2-CG 4.11Å; P260-Q262 PolarHBondContact O-N 2.71Å; P260-V263 WeakPolarHBondContact O-CB 3.11Å; P260-V263 PolarHBondContact O-N 2.8Å; P260-V263 VanDerWaalsContact O-N 3.13Å
261	T	96.7	Very high	96.3	Very high	66 Å²	66	30.7 Å²	30.7	41%	0.405	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.2	-20.6	179.9	58.5	0	0	0	0	113.3	H259	H259-T261 PolarHBondContact ND1-N 2.83Å; H259-T261 PolarHBondContact ND1-OG1 2.98Å; H259-T261 PolarHBondContact O-N 2.67Å; H259-T261 VanDerWaalsContact O-N 3.11Å
262	Q	98.1	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-79.5	-26.2	177.3	-59.8	-175.9	-42.9	0	0	111.8	F231 L237 L240 V257 I258 H259 P260 I265 V266	F231-Q262 PolarHBondContact O-NE2 3.37Å; L237-Q262 HydrophobicContact CD2-CG 4.22Å; L240-Q262 HydrophobicContact CD2-CB 3.51Å; L240-Q262 HydrophobicContact CD2-CG 3.67Å; V257-Q262 HydrophobicContact CG1-CB 3.8Å; V257-Q262 HydrophobicContact CG2-CB 4.46Å; I258-Q262 VanDerWaalsContact CG1-OE1 3.3Å; H259-Q262 HydrophobicContact CB-CG 4.35Å; H259-Q262 WeakPolarHBondContact O-CB 3.07Å; H259-Q262 PolarHBondContact O-N 3.02Å; P260-Q262 PolarHBondContact O-N 2.71Å; Q262-I265 WeakPolarHBondContact O-CB 3.44Å; Q262-I265 PolarHBondContact O-N 2.98Å; Q262-I265 VanDerWaalsContact O-N 3.13Å; Q262-V266 WeakPolarHBondContact O-CG2 3.12Å; Q262-V266 PolarHBondContact O-N 3.29Å
263	V	97.7	Very high	95.6	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-55.2	-51.6	-172.9	174.8	0	0	0	0	112.7	A33 M35 A53 V257 P260 I265 V266 Q267	A33-V263 HydrophobicContact CB-CG1 4.22Å; M35-V263 HydrophobicContact SD-CG2 4.15Å; A53-V263 HydrophobicContact CB-CG1 3.87Å; A53-V263 HydrophobicContact CB-CG2 4.04Å; V257-V263 HydrophobicContact CG1-CG2 3.77Å; P260-V263 WeakPolarHBondContact O-CB 3.11Å; P260-V263 PolarHBondContact O-N 2.8Å; P260-V263 VanDerWaalsContact O-N 3.13Å; V263-I265 VanDerWaalsContact C-N 3.27Å; V263-I265 PolarHBondContact O-N 2.89Å; V263-V266 PolarHBondContact O-N 2.85Å; V263-Q267 HydrophobicContact CG1-CG 4.21Å; V263-Q267 WeakPolarHBondContact O-CB 3.28Å; V263-Q267 WeakPolarHBondContact O-CG 3.39Å; V263-Q267 PolarHBondContact O-N 3.13Å
264	P	96.7	Very high	95.4	Very high	80 Å²	80	38.4 Å²	38.4	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-37.5	-179.6	-21.7	34.5	0	0	0	112.4	Q268	P264-Q268 VanDerWaalsContact O-CB 3.27Å; P264-Q268 WeakPolarHBondContact O-CB 3.18Å; P264-Q268 PolarHBondContact O-N 2.67Å
265	I	97.9	Very high	95.2	Very high	41 Å²	41	46 Å²	46	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-47.1	-179.2	-53.7	-56.5	0	0	0	110.7	L237 L240 K241 Q262 V263 A269	L237-I265 HydrophobicContact CB-CG1 4.39Å; L237-I265 HydrophobicContact CD1-CG1 4.37Å; L237-I265 HydrophobicContact CD2-CG1 4.31Å; L240-I265 HydrophobicContact CD2-CB 3.95Å; L240-I265 HydrophobicContact CD2-CG2 3.93Å; L240-I265 HydrophobicContact CG-CG2 4.22Å; K241-I265 HydrophobicContact CB-CG2 3.77Å; K241-I265 HydrophobicContact CG-CG2 4.37Å; Q262-I265 WeakPolarHBondContact O-CB 3.44Å; Q262-I265 PolarHBondContact O-N 2.98Å; Q262-I265 VanDerWaalsContact O-N 3.13Å; V263-I265 VanDerWaalsContact C-N 3.27Å; V263-I265 PolarHBondContact O-N 2.89Å; I265-A269 VanDerWaalsContact O-CB 3.28Å; I265-A269 WeakPolarHBondContact O-CB 3.43Å; I265-A269 PolarHBondContact O-N 2.79Å
266	V	98	Very high	94.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-52.2	177.8	174	0	0	0	0	110.6	R32 A33 L240 K255 V257 Q262 V263 Q268 A269 F270	R32-V266 WeakPolarHBondContact O-CG1 3.26Å; A33-V266 HydrophobicContact CB-CB 4.28Å; A33-V266 HydrophobicContact CB-CG1 3.97Å; L240-V266 HydrophobicContact CD1-CG2 3.89Å; L240-V266 HydrophobicContact CD2-CG2 4.1Å; L240-V266 HydrophobicContact CG-CG2 4.26Å; K255-V266 HydrophobicContact CB-CG1 3.9Å; V257-V266 HydrophobicContact CG2-CB 4.11Å; V257-V266 HydrophobicContact CG2-CG1 4.26Å; V257-V266 HydrophobicContact CG2-CG2 3.71Å; Q262-V266 WeakPolarHBondContact O-CG2 3.12Å; Q262-V266 PolarHBondContact O-N 3.29Å; V263-V266 PolarHBondContact O-N 2.85Å; V266-Q268 VanDerWaalsContact C-N 3.26Å; V266-Q268 PolarHBondContact O-N 2.86Å; V266-A269 PolarHBondContact O-N 2.84Å; V266-A269 VanDerWaalsContact O-N 3.08Å; V266-F270 HydrophobicContact CG1-CD2 3.81Å; V266-F270 HydrophobicContact CG1-CE2 4Å; V266-F270 WeakPolarHBondContact O-CD2 3.45Å; V266-F270 PolarHBondContact O-N 3.09Å; V266-F270 VanDerWaalsContact O-N 3.1Å
267	Q	96.4	Very high	94.7	Very high	33 Å²	33	50.4 Å²	50.4	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-37.3	-178.2	-67.4	-175.7	160	0	0	112.1	R32 A33 K52 A53 D54 V263 V271	R32-Q267 HydrophobicContact CB-CG 4.32Å; A33-Q267 HydrophobicContact CB-CG 3.6Å; K52-Q267 PolarHBondContact O-NE2 3.21Å; K52-Q267 PolarHBondContact O-OE1 3.25Å; A53-Q267 VanDerWaalsContact CA-OE1 3.29Å; D54-Q267 PolarHBondContact OD2-OE1 3.43Å; V263-Q267 HydrophobicContact CG1-CG 4.21Å; V263-Q267 WeakPolarHBondContact O-CB 3.28Å; V263-Q267 WeakPolarHBondContact O-CG 3.39Å; V263-Q267 PolarHBondContact O-N 3.13Å; Q267-V271 WeakPolarHBondContact O-CG2 3.37Å
268	Q	94.9	Very high	94.6	Very high	134 Å²	134	56.4 Å²	56.4	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-69	-41.2	175	-172	178.1	29.9	0	0	112.1	P264 V266 F270 V271	P264-Q268 VanDerWaalsContact O-CB 3.27Å; P264-Q268 WeakPolarHBondContact O-CB 3.18Å; P264-Q268 PolarHBondContact O-N 2.67Å; V266-Q268 VanDerWaalsContact C-N 3.26Å; V266-Q268 PolarHBondContact O-N 2.86Å; Q268-F270 VanDerWaalsContact C-N 3.33Å; Q268-F270 PolarHBondContact O-N 2.93Å; Q268-V271 PolarHBondContact O-N 3.23Å
269	A	95.4	Very high	94.7	Very high	6 Å²	6	55.1 Å²	55.1	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-29.2	-176.4	0	0	0	0	0	113.6	C244 R248 I265 V266 V271	C244-A269 HydrophobicContact CB-CB 3.39Å; R248-A269 VanDerWaalsContact CD-O 3.3Å; R248-A269 WeakPolarHBondContact CD-O 3.46Å; R248-A269 PolarHBondContact NH1-O 3.43Å; I265-A269 VanDerWaalsContact O-CB 3.28Å; I265-A269 WeakPolarHBondContact O-CB 3.43Å; I265-A269 PolarHBondContact O-N 2.79Å; V266-A269 PolarHBondContact O-N 2.84Å; V266-A269 VanDerWaalsContact O-N 3.08Å; A269-V271 VanDerWaalsContact C-N 3.35Å
270	F	94.7	Very high	94.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5.5	178.8	-81.4	-86.2	0	0	0	114.8	R32 C244 A247 R248 F252 T253 G254 K255 V266 Q268	R32-F270 HydrophobicContact CB-CB 3.91Å; R32-F270 HydrophobicContact CG-CB 3.89Å; C244-F270 HydrophobicContact CB-CD2 4.25Å; C244-F270 HydrophobicContact CB-CE2 3.77Å; A247-F270 HydrophobicContact CB-CE1 4.23Å; A247-F270 HydrophobicContact CB-CZ 3.78Å; R248-F270 HydrophobicContact CB-CD1 4.13Å; R248-F270 HydrophobicContact CB-CE1 4.23Å; F252-F270 HydrophobicContact CB-CE1 3.97Å; T253-F270 VanDerWaalsContact O-CD1 3.31Å; T253-F270 WeakPolarHBondContact O-CD1 3.5Å; G254-F270 VanDerWaalsContact C-CZ 3.43Å; G254-F270 WeakPolarHBondContact O-CZ 3.39Å; K255-F270 HydrophobicContact CB-CE2 3.56Å; K255-F270 HydrophobicContact CB-CZ 3.85Å; K255-F270 HydrophobicContact CD-CE2 4.44Å; V266-F270 HydrophobicContact CG1-CD2 3.81Å; V266-F270 HydrophobicContact CG1-CE2 4Å; V266-F270 WeakPolarHBondContact O-CD2 3.45Å; V266-F270 PolarHBondContact O-N 3.09Å; V266-F270 VanDerWaalsContact O-N 3.1Å; Q268-F270 VanDerWaalsContact C-N 3.33Å; Q268-F270 PolarHBondContact O-N 2.93Å
271	V	90.2	Very high	94.6	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.115	27%	0.271	C	S	.	.	S	Bend	trans	-104.3	141.8	171.4	-179.9	0	0	0	0	108.8	R248 Q267 Q268 A269 K323	R248-V271 PolarHBondContact NH1-O 3.15Å; Q267-V271 WeakPolarHBondContact O-CG2 3.37Å; Q268-V271 PolarHBondContact O-N 3.23Å; A269-V271 VanDerWaalsContact C-N 3.35Å; V271-K323 HydrophobicContact CG1-CD 4.5Å
272	P	86.7	Confident	94.7	Very high	15 Å²	15	51.3 Å²	51.3	10%	0.097	26%	0.264	C	S	.	.			trans	-57.6	146.5	172	-22.4	32.5	0	0	0	111.5	Q276 V277 I316 C319	P272-Q276 HydrophobicContact CB-CB 3.9Å; P272-V277 HydrophobicContact CB-CG2 4Å; P272-I316 HydrophobicContact CB-CG2 3.8Å; P272-I316 HydrophobicContact CG-CB 4.42Å; P272-I316 HydrophobicContact CG-CG2 3.9Å; P272-C319 VanDerWaalsContact CD-SG 3.56Å; P272-C319 HydrophobicContact CG-CB 4.09Å
273	S	89.6	Confident	94.5	Very high	50 Å²	50	51.3 Å²	51.3	35%	0.35	26%	0.264	S	S	.	.			trans	-67.3	159.4	173.1	67.3	0	0	0	0	111.1	E275 Q276 V277	S273-E275 PolarHBondContact O-N 2.9Å; S273-E275 VanDerWaalsContact O-N 3.15Å; S273-Q276 WeakPolarHBondContact O-CA 3.47Å; S273-Q276 WeakPolarHBondContact O-CB 2.99Å; S273-Q276 PolarHBondContact O-N 2.99Å; S273-Q276 WeakPolarHBondContact OG-CG 3.21Å; S273-Q276 PolarHBondContact OG-N 2.77Å; S273-V277 WeakPolarHBondContact O-CG2 3.36Å; S273-V277 PolarHBondContact O-N 3.29Å
274	D	91.6	Very high	94.4	Very high	140 Å²	140	52.6 Å²	52.6	75%	0.749	27%	0.27	S	S	*	.	H	α-helix	trans	-55.9	-33.3	175.7	-62.1	-22.6	0	0	0	111.8	V277 K278	D274-V277 PolarHBondContact O-N 3.11Å; D274-K278 VanDerWaalsContact O-CB 3.25Å; D274-K278 WeakPolarHBondContact O-CB 3.37Å; D274-K278 PolarHBondContact O-N 3.24Å
275	E	93.7	Very high	94.4	Very high	161 Å²	161	53.9 Å²	53.9	75%	0.752	27%	0.269	S	S	*	.	H	α-helix	trans	-65.7	-42.7	173.2	-66	179.9	165.9	0	0	112.7	S273 K278 W279	S273-E275 PolarHBondContact O-N 2.9Å; S273-E275 VanDerWaalsContact O-N 3.15Å; E275-K278 PolarHBondContact O-N 2.85Å; E275-W279 WeakPolarHBondContact O-CB 3.44Å; E275-W279 PolarHBondContact O-N 3.21Å
276	Q	92.3	Very high	94.2	Very high	66 Å²	66	54.8 Å²	54.8	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-42	175.7	-71.1	176.7	-62	0	0	111	P272 S273 W279 A280 I316	P272-Q276 HydrophobicContact CB-CB 3.9Å; S273-Q276 WeakPolarHBondContact O-CA 3.47Å; S273-Q276 WeakPolarHBondContact O-CB 2.99Å; S273-Q276 PolarHBondContact O-N 2.99Å; S273-Q276 WeakPolarHBondContact OG-CG 3.21Å; S273-Q276 PolarHBondContact OG-N 2.77Å; Q276-W279 PolarHBondContact O-N 3.21Å; Q276-A280 VanDerWaalsContact O-CB 3.3Å; Q276-A280 WeakPolarHBondContact O-CB 3.4Å; Q276-A280 PolarHBondContact O-N 3.17Å; Q276-I316 HydrophobicContact CB-CG2 4.38Å
277	V	93.6	Very high	94.1	Very high	35 Å²	35	55.4 Å²	55.4	21%	0.212	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-46.8	176.4	178.7	0	0	0	0	110.4	P272 S273 D274 W279 A280 T281 I316 A320	P272-V277 HydrophobicContact CB-CG2 4Å; S273-V277 WeakPolarHBondContact O-CG2 3.36Å; S273-V277 PolarHBondContact O-N 3.29Å; D274-V277 PolarHBondContact O-N 3.11Å; V277-W279 PolarHBondContact O-N 3.29Å; V277-A280 PolarHBondContact O-N 3.2Å; V277-T281 WeakPolarHBondContact O-CB 3.1Å; V277-T281 PolarHBondContact O-N 3.48Å; V277-T281 PolarHBondContact O-OG1 2.59Å; V277-I316 HydrophobicContact CG2-CG2 4.38Å; V277-A320 HydrophobicContact CG1-CB 4.24Å; V277-A320 HydrophobicContact CG2-CB 3.62Å
278	K	96	Very high	93.9	Very high	127 Å²	127	57.7 Å²	57.7	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-58.5	-48.5	176.4	-179.9	176.5	177.4	179	0	111.7	D274 E275 A280 T281 E282	D274-K278 VanDerWaalsContact O-CB 3.25Å; D274-K278 WeakPolarHBondContact O-CB 3.37Å; D274-K278 PolarHBondContact O-N 3.24Å; E275-K278 PolarHBondContact O-N 2.85Å; K278-A280 VanDerWaalsContact C-N 3.32Å; K278-A280 PolarHBondContact O-N 3.16Å; K278-T281 PolarHBondContact O-N 3.48Å; K278-E282 WeakPolarHBondContact CE-OE1 3.33Å; K278-E282 WeakPolarHBondContact CG-OE1 3.14Å; K278-E282 WeakPolarHBondContact O-CB 3.44Å; K278-E282 WeakPolarHBondContact O-CG 3.37Å; K278-E282 PolarHBondContact O-N 2.98Å
279	W	96	Very high	93.9	Very high	48 Å²	48	56.7 Å²	56.7	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-46.2	176	172.3	91.3	0	0	0	111.6	E275 Q276 V277 E282 L283 F300 L309 A313 I316	E275-W279 WeakPolarHBondContact O-CB 3.44Å; E275-W279 PolarHBondContact O-N 3.21Å; Q276-W279 PolarHBondContact O-N 3.21Å; V277-W279 PolarHBondContact O-N 3.29Å; W279-E282 PolarHBondContact O-N 2.88Å; W279-L283 HydrophobicContact CH2-CD1 3.53Å; W279-L283 HydrophobicContact CZ2-CD1 3.34Å; W279-L283 HydrophobicContact CZ3-CD1 4.26Å; W279-L283 WeakPolarHBondContact O-CB 3.38Å; W279-L283 PolarHBondContact O-N 3.5Å; W279-F300 AromaticContact CD1-CE1 3.82Å; W279-F300 AromaticContact NE1-CE1 3.73Å; W279-L309 HydrophobicContact CH2-CD2 4.4Å; W279-A313 HydrophobicContact CZ3-CB 4Å; W279-I316 HydrophobicContact CE3-CD1 4.18Å; W279-I316 HydrophobicContact CZ3-CD1 3.91Å
280	A	94.9	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-44.8	-178.2	0	0	0	0	0	111.8	Q276 V277 K278 L283 L284 A313 I316 V317	Q276-A280 VanDerWaalsContact O-CB 3.3Å; Q276-A280 WeakPolarHBondContact O-CB 3.4Å; Q276-A280 PolarHBondContact O-N 3.17Å; V277-A280 PolarHBondContact O-N 3.2Å; K278-A280 VanDerWaalsContact C-N 3.32Å; K278-A280 PolarHBondContact O-N 3.16Å; A280-L283 PolarHBondContact O-N 3.18Å; A280-L284 VanDerWaalsContact O-CG 3.26Å; A280-L284 WeakPolarHBondContact O-CG 3.43Å; A280-L284 PolarHBondContact O-N 3.35Å; A280-A313 HydrophobicContact CB-CB 3.91Å; A280-I316 HydrophobicContact CB-CB 3.8Å; A280-I316 HydrophobicContact CB-CD1 4.34Å; A280-I316 HydrophobicContact CB-CG2 3.54Å; A280-V317 HydrophobicContact CB-CG2 3.89Å
281	T	96.4	Very high	93.6	Very high	55 Å²	55	62.5 Å²	62.5	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-48.6	177	-58.8	0	0	0	0	111.4	V277 K278 L283 L284 E285	V277-T281 WeakPolarHBondContact O-CB 3.1Å; V277-T281 PolarHBondContact O-N 3.48Å; V277-T281 PolarHBondContact O-OG1 2.59Å; K278-T281 PolarHBondContact O-N 3.48Å; T281-L283 PolarHBondContact O-N 2.85Å; T281-L284 PolarHBondContact O-N 3.21Å; T281-E285 WeakPolarHBondContact O-CG 3.18Å; T281-E285 PolarHBondContact O-N 3.23Å
282	E	97.1	Very high	93.7	Very high	55 Å²	55	67.2 Å²	67.2	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-40.3	178	-72.4	175.8	-164.1	0	0	112.3	K278 W279 E285 Q286 F300 R301	K278-E282 WeakPolarHBondContact CE-OE1 3.33Å; K278-E282 WeakPolarHBondContact CG-OE1 3.14Å; K278-E282 WeakPolarHBondContact O-CB 3.44Å; K278-E282 WeakPolarHBondContact O-CG 3.37Å; K278-E282 PolarHBondContact O-N 2.98Å; W279-E282 PolarHBondContact O-N 2.88Å; E282-E285 PolarHBondContact O-N 3.39Å; E282-Q286 WeakPolarHBondContact O-CG 3.28Å; E282-Q286 PolarHBondContact O-N 2.92Å; E282-F300 HydrophobicContact CB-CE2 4.21Å; E282-F300 HydrophobicContact CB-CZ 3.79Å; E282-R301 IonicContact OE1-NH2 3.55Å; E282-R301 IonicContact OE2-CZ 3.77Å; E282-R301 IonicContact OE2-NE 3.98Å; E282-R301 IonicContact OE2-NH2 3.76Å; E282-R301 PolarHBondContact OE2-NH2 2.86Å
283	L	95.7	Very high	94	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-42.5	176.6	-176.5	157.9	0	0	0	111.2	W279 A280 T281 Q286 F287 F300 I305 L309 V310 A313	W279-L283 HydrophobicContact CH2-CD1 3.53Å; W279-L283 HydrophobicContact CZ2-CD1 3.34Å; W279-L283 HydrophobicContact CZ3-CD1 4.26Å; W279-L283 WeakPolarHBondContact O-CB 3.38Å; W279-L283 PolarHBondContact O-N 3.5Å; A280-L283 PolarHBondContact O-N 3.18Å; T281-L283 PolarHBondContact O-N 2.85Å; L283-Q286 PolarHBondContact O-N 3.33Å; L283-F287 WeakPolarHBondContact O-CB 3.49Å; L283-F287 PolarHBondContact O-N 3.35Å; L283-F300 HydrophobicContact CB-CD1 4.18Å; L283-F300 HydrophobicContact CB-CE1 3.89Å; L283-F300 HydrophobicContact CB-CZ 4.4Å; L283-F300 HydrophobicContact CD1-CD1 4.24Å; L283-F300 HydrophobicContact CG-CD1 4.3Å; L283-F300 HydrophobicContact CG-CE1 4.49Å; L283-I305 HydrophobicContact CD1-CD1 3.97Å; L283-I305 HydrophobicContact CD1-CG1 4.34Å; L283-I305 HydrophobicContact CD1-CG2 4.03Å; L283-I305 HydrophobicContact CD2-CG2 4.11Å; L283-I305 HydrophobicContact CG-CG2 4.15Å; L283-L309 HydrophobicContact CD1-CB 4.49Å; L283-V310 HydrophobicContact CD2-CB 4.46Å; L283-V310 HydrophobicContact CD2-CG2 3.93Å; L283-A313 HydrophobicContact CB-CB 4.49Å; L283-A313 HydrophobicContact CD2-CB 3.83Å
284	L	95.2	Very high	94.1	Very high	37 Å²	37	73.4 Å²	73.4	19%	0.194	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-36.6	178.5	-67.1	175.8	0	0	0	112.6	A280 T281 F287 Q288 V310 A313 K314 V317	A280-L284 VanDerWaalsContact O-CG 3.26Å; A280-L284 WeakPolarHBondContact O-CG 3.43Å; A280-L284 PolarHBondContact O-N 3.35Å; T281-L284 PolarHBondContact O-N 3.21Å; L284-F287 PolarHBondContact O-N 3.38Å; L284-Q288 PolarHBondContact O-N 3.24Å; L284-V310 HydrophobicContact CD2-CG1 3.94Å; L284-A313 HydrophobicContact CD2-CB 4.03Å; L284-A313 HydrophobicContact CG-CB 4.03Å; L284-K314 HydrophobicContact CD1-CG 4.24Å; L284-K314 HydrophobicContact CD2-CG 3.67Å; L284-V317 HydrophobicContact CD1-CB 4.44Å; L284-V317 HydrophobicContact CD1-CG2 3.87Å
285	E	95.4	Very high	93.9	Very high	107 Å²	107	72 Å²	72	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-41.8	172.3	-71.8	177.3	-175.3	0	0	112	T281 E282 K289	T281-E285 WeakPolarHBondContact O-CG 3.18Å; T281-E285 PolarHBondContact O-N 3.23Å; E282-E285 PolarHBondContact O-N 3.39Å; E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 3.36Å
286	Q	95.1	Very high	93.5	Very high	61 Å²	61	67.5 Å²	67.5	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-40	175.7	-67.4	-61.6	-36.3	0	0	111.5	E282 L283 Q288 K289 H290 F298 F300	E282-Q286 WeakPolarHBondContact O-CG 3.28Å; E282-Q286 PolarHBondContact O-N 2.92Å; L283-Q286 PolarHBondContact O-N 3.33Å; Q286-Q288 PolarHBondContact O-N 3Å; Q286-K289 PolarHBondContact O-N 3.05Å; Q286-H290 PolarHBondContact O-N 3.48Å; Q286-H290 VanDerWaalsContact O-N 3.07Å; Q286-H290 PolarHBondContact O-ND1 3.41Å; Q286-F298 HydrophobicContact CB-CD2 4.43Å; Q286-F298 HydrophobicContact CB-CE2 3.62Å; Q286-F298 HydrophobicContact CB-CZ 4.22Å; Q286-F300 HydrophobicContact CB-CD2 4.42Å; Q286-F300 HydrophobicContact CG-CD2 3.87Å; Q286-F300 HydrophobicContact CG-CE2 4.02Å
287	F	94.4	Very high	93.4	Very high	13 Å²	13	66.8 Å²	66.8	6%	0.057	36%	0.364	C	S	.	.	H	α-helix	trans	-57.8	-47.9	175	172.8	-105.8	0	0	0	111	L283 L284 K289 H290 E291 F298 M307 V310	L283-F287 WeakPolarHBondContact O-CB 3.49Å; L283-F287 PolarHBondContact O-N 3.35Å; L284-F287 PolarHBondContact O-N 3.38Å; F287-K289 VanDerWaalsContact C-N 3.34Å; F287-K289 PolarHBondContact O-N 3.23Å; F287-H290 PolarHBondContact O-N 3Å; F287-H290 VanDerWaalsContact O-N 3.08Å; F287-E291 HydrophobicContact CE1-CB 4.39Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.32Å; F287-E291 HydrophobicContact CE2-CB 4.45Å; F287-E291 HydrophobicContact CZ-CB 4.21Å; F287-E291 HydrophobicContact CZ-CG 4.26Å; F287-E291 WeakPolarHBondContact CZ-OE1 3.25Å; F287-E291 WeakPolarHBondContact O-CB 3.34Å; F287-E291 PolarHBondContact O-N 3.31Å; F287-F298 HydrophobicContact CB-CE1 4.05Å; F287-F298 HydrophobicContact CB-CZ 3.95Å; F287-F298 AromaticContact CD2-CE1 3.99Å; F287-F298 HydrophobicContact CD2-CE1 3.99Å; F287-M307 HydrophobicContact CE2-CE 4.06Å; F287-M307 HydrophobicContact CZ-CE 3.81Å; F287-V310 HydrophobicContact CB-CG2 4.08Å; F287-V310 HydrophobicContact CD1-CG1 3.86Å; F287-V310 HydrophobicContact CD1-CG2 4.43Å; F287-V310 HydrophobicContact CD2-CG1 4.3Å; F287-V310 HydrophobicContact CD2-CG2 3.51Å; F287-V310 HydrophobicContact CE1-CG1 4.06Å; F287-V310 HydrophobicContact CE2-CG1 4.46Å; F287-V310 HydrophobicContact CE2-CG2 4.04Å; F287-V310 HydrophobicContact CG-CG1 3.99Å; F287-V310 HydrophobicContact CG-CG2 3.72Å; F287-V310 HydrophobicContact CZ-CG1 4.35Å
288	Q	93.4	Very high	93.4	Very high	81 Å²	81	65.7 Å²	65.7	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-57.3	-46.5	178.1	-171.5	64	62.2	0	0	111.8	L284 Q286 H290 E291 D292	L284-Q288 PolarHBondContact O-N 3.24Å; Q286-Q288 PolarHBondContact O-N 3Å; Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 3.21Å; Q288-E291 PolarHBondContact O-N 2.88Å; Q288-D292 PolarHBondContact NE2-OD1 2.97Å; Q288-D292 PolarHBondContact O-N 3.28Å
289	K	94.2	Very high	93.4	Very high	112 Å²	112	64.5 Å²	64.5	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-35.1	177.4	-69.1	171	-174.5	170.1	0	112.9	E285 Q286 F287 L293	E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 3.36Å; Q286-K289 PolarHBondContact O-N 3.05Å; F287-K289 VanDerWaalsContact C-N 3.34Å; F287-K289 PolarHBondContact O-N 3.23Å; K289-L293 VanDerWaalsContact O-CG 3.31Å; K289-L293 WeakPolarHBondContact O-CG 3.36Å
290	H	92.9	Very high	93.2	Very high	35 Å²	35	63.1 Å²	63.1	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-83.9	-33.7	-179.4	-72.5	82.9	0	0	0	112.5	Q286 F287 Q288 D292 L293 G294 K295 F298	Q286-H290 PolarHBondContact O-N 3.48Å; Q286-H290 VanDerWaalsContact O-N 3.07Å; Q286-H290 PolarHBondContact O-ND1 3.41Å; F287-H290 PolarHBondContact O-N 3Å; F287-H290 VanDerWaalsContact O-N 3.08Å; Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 3.21Å; H290-D292 VanDerWaalsContact C-N 3.34Å; H290-L293 CarbonylContact O-C 3.22Å; H290-L293 WeakPolarHBondContact O-CA 3.17Å; H290-L293 WeakPolarHBondContact O-CB 3.14Å; H290-L293 PolarHBondContact O-N 3.19Å; H290-L293 VanDerWaalsContact O-N 3.11Å; H290-G294 PolarHBondContact O-N 3.31Å; H290-K295 HydrophobicContact CB-CB 4.25Å; H290-K295 PolarHBondContact O-N 3.48Å; H290-F298 HydrophobicContact CB-CB 4.25Å; H290-F298 HydrophobicContact CB-CD1 4.01Å; H290-F298 HydrophobicContact CB-CG 4.1Å; H290-F298 WeakPolarHBondContact CD2-CB 3.33Å; H290-F298 AromaticContact CD2-CG 3.81Å; H290-F298 AromaticContact CE1-CD2 3.74Å; H290-F298 AromaticContact CG-CG 3.65Å; H290-F298 AromaticContact ND1-CD2 3.69Å; H290-F298 AromaticContact ND1-CG 3.81Å
291	E	91.2	Very high	93.2	Very high	95 Å²	95	70.4 Å²	70.4	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-42.3	172.7	-172.4	172.2	-133.2	0	0	110.5	F287 Q288 L293 G294	F287-E291 HydrophobicContact CE1-CB 4.39Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.32Å; F287-E291 HydrophobicContact CE2-CB 4.45Å; F287-E291 HydrophobicContact CZ-CB 4.21Å; F287-E291 HydrophobicContact CZ-CG 4.26Å; F287-E291 WeakPolarHBondContact CZ-OE1 3.25Å; F287-E291 WeakPolarHBondContact O-CB 3.34Å; F287-E291 PolarHBondContact O-N 3.31Å; Q288-E291 PolarHBondContact O-N 2.88Å; E291-L293 PolarHBondContact O-N 3.34Å; E291-G294 WeakPolarHBondContact O-CA 3.45Å; E291-G294 PolarHBondContact O-N 3.14Å
292	D	92.4	Very high	93	Very high	119 Å²	119	71.1 Å²	71.1	64%	0.636	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.7	173.8	-64.5	-14.4	0	0	0	112.5	Q288 H290	Q288-D292 PolarHBondContact NE2-OD1 2.97Å; Q288-D292 PolarHBondContact O-N 3.28Å; H290-D292 VanDerWaalsContact C-N 3.34Å
293	L	93	Very high	92.8	Very high	122 Å²	122	73.7 Å²	73.7	64%	0.639	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	4.2	174.1	-64.5	172.5	0	0	0	113.3	K289 H290 E291 K295	K289-L293 VanDerWaalsContact O-CG 3.31Å; K289-L293 WeakPolarHBondContact O-CG 3.36Å; H290-L293 CarbonylContact O-C 3.22Å; H290-L293 WeakPolarHBondContact O-CA 3.17Å; H290-L293 WeakPolarHBondContact O-CB 3.14Å; H290-L293 PolarHBondContact O-N 3.19Å; H290-L293 VanDerWaalsContact O-N 3.11Å; E291-L293 PolarHBondContact O-N 3.34Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.39Å
294	G	91.7	Very high	92.7	Very high	72 Å²	72	80.7 Å²	80.7	74%	0.742	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	21.2	-179	0	0	0	0	0	114.7	H290 E291	H290-G294 PolarHBondContact O-N 3.31Å; E291-G294 WeakPolarHBondContact O-CA 3.45Å; E291-G294 PolarHBondContact O-N 3.14Å
295	K	87.1	Confident	92.6	Very high	111 Å²	111	78.9 Å²	78.9	48%	0.483	44%	0.439	S	S	.	.			trans	-95.5	123.9	179.5	-68	179.1	175.9	-178.9	0	111.1	H290 L293	H290-K295 HydrophobicContact CB-CB 4.25Å; H290-K295 PolarHBondContact O-N 3.48Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.39Å
296	G	85.9	Confident	92.4	Very high	66 Å²	66	77.3 Å²	77.3	68%	0.68	43%	0.434	S	S	*	.	S	Bend	trans	-83.8	-14.8	175.8	0	0	0	0	0	115.1
297	A	91	Very high	92.3	Very high	51 Å²	51	78.4 Å²	78.4	42%	0.421	44%	0.44	S	S	.	.			trans	-144.3	147.8	176.1	0	0	0	0	0	110.5	I305	A297-I305 VanDerWaalsContact CA-O 3.25Å; A297-I305 WeakPolarHBondContact CA-O 3.39Å
298	F	93.4	Very high	92.2	Very high	13 Å²	13	81.2 Å²	81.2	6%	0.057	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	164.4	-177.7	64	-78.5	0	0	0	111.5	Q286 F287 H290 F300 I305	Q286-F298 HydrophobicContact CB-CD2 4.43Å; Q286-F298 HydrophobicContact CB-CE2 3.62Å; Q286-F298 HydrophobicContact CB-CZ 4.22Å; F287-F298 HydrophobicContact CB-CE1 4.05Å; F287-F298 HydrophobicContact CB-CZ 3.95Å; F287-F298 AromaticContact CD2-CE1 3.99Å; F287-F298 HydrophobicContact CD2-CE1 3.99Å; H290-F298 HydrophobicContact CB-CB 4.25Å; H290-F298 HydrophobicContact CB-CD1 4.01Å; H290-F298 HydrophobicContact CB-CG 4.1Å; H290-F298 WeakPolarHBondContact CD2-CB 3.33Å; H290-F298 AromaticContact CD2-CG 3.81Å; H290-F298 AromaticContact CE1-CD2 3.74Å; H290-F298 AromaticContact CG-CG 3.65Å; H290-F298 AromaticContact ND1-CD2 3.69Å; H290-F298 AromaticContact ND1-CG 3.81Å; F298-F300 HydrophobicContact CD2-CB 4.37Å; F298-F300 HydrophobicContact CE2-CB 3.97Å; F298-I305 HydrophobicContact CD1-CB 4.25Å; F298-I305 HydrophobicContact CD2-CB 4.45Å; F298-I305 HydrophobicContact CE1-CB 3.84Å; F298-I305 HydrophobicContact CE1-CG2 3.69Å; F298-I305 HydrophobicContact CE2-CB 4.1Å; F298-I305 HydrophobicContact CE2-CG1 4.17Å; F298-I305 HydrophobicContact CE2-CG2 4.38Å; F298-I305 HydrophobicContact CZ-CB 3.78Å; F298-I305 HydrophobicContact CZ-CG1 4.23Å; F298-I305 HydrophobicContact CZ-CG2 3.62Å; F298-I305 PolarHBondContact N-O 2.97Å; F298-I305 VanDerWaalsContact N-O 3.1Å; F298-I305 PolarHBondContact O-N 3.17Å
299	T	94.4	Very high	92.1	Very high	102 Å²	102	79.2 Å²	79.2	63%	0.626	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.5	175.7	-51.9	0	0	0	0	110.3	E303	T299-E303 CarbonylContact C-O 3.59Å; T299-E303 VanDerWaalsContact CA-O 3.31Å; T299-E303 WeakPolarHBondContact CA-O 3.29Å
300	F	93.5	Very high	92	Very high	19 Å²	19	73.9 Å²	73.9	8%	0.083	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.6	172.4	176.5	-116.2	0	0	0	109.2	W279 E282 L283 Q286 F298 G302 E303 I305	W279-F300 AromaticContact CD1-CE1 3.82Å; W279-F300 AromaticContact NE1-CE1 3.73Å; E282-F300 HydrophobicContact CB-CE2 4.21Å; E282-F300 HydrophobicContact CB-CZ 3.79Å; L283-F300 HydrophobicContact CB-CD1 4.18Å; L283-F300 HydrophobicContact CB-CE1 3.89Å; L283-F300 HydrophobicContact CB-CZ 4.4Å; L283-F300 HydrophobicContact CD1-CD1 4.24Å; L283-F300 HydrophobicContact CG-CD1 4.3Å; L283-F300 HydrophobicContact CG-CE1 4.49Å; Q286-F300 HydrophobicContact CB-CD2 4.42Å; Q286-F300 HydrophobicContact CG-CD2 3.87Å; Q286-F300 HydrophobicContact CG-CE2 4.02Å; F298-F300 HydrophobicContact CD2-CB 4.37Å; F298-F300 HydrophobicContact CE2-CB 3.97Å; F300-G302 PolarHBondContact O-N 3.36Å; F300-G302 VanDerWaalsContact O-N 3.1Å; F300-E303 PolarHBondContact N-O 3.5Å; F300-E303 PolarHBondContact O-N 2.98Å; F300-I305 HydrophobicContact CB-CD1 4.15Å; F300-I305 HydrophobicContact CB-CG1 3.48Å; F300-I305 VanDerWaalsContact CB-CG1 3.48Å; F300-I305 HydrophobicContact CD1-CD1 4.45Å; F300-I305 HydrophobicContact CD1-CG1 4.49Å; F300-I305 HydrophobicContact CG-CG1 4.45Å
301	R	93.1	Very high	91.9	Very high	152 Å²	152	77.1 Å²	77.1	57%	0.574	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	34.5	-178.3	-61.2	-177.3	173	-157	1.4	114.1	E282 E303	E282-R301 IonicContact OE1-NH2 3.55Å; E282-R301 IonicContact OE2-CZ 3.77Å; E282-R301 IonicContact OE2-NE 3.98Å; E282-R301 IonicContact OE2-NH2 3.76Å; E282-R301 PolarHBondContact OE2-NH2 2.86Å; R301-E303 VanDerWaalsContact C-N 3.27Å; R301-E303 PolarHBondContact O-N 3.49Å
302	G	93.4	Very high	91.9	Very high	71 Å²	71	77.9 Å²	77.9	73%	0.732	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-4.7	-179.3	0	0	0	0	0	114.9	F300	F300-G302 PolarHBondContact O-N 3.36Å; F300-G302 VanDerWaalsContact O-N 3.1Å
303	E	92.5	Very high	91.9	Very high	109 Å²	109	72.2 Å²	72.2	51%	0.509	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.7	178.3	-63.1	-178.1	168.2	0	0	111.1	T299 F300 R301 I305	T299-E303 CarbonylContact C-O 3.59Å; T299-E303 VanDerWaalsContact CA-O 3.31Å; T299-E303 WeakPolarHBondContact CA-O 3.29Å; F300-E303 PolarHBondContact N-O 3.5Å; F300-E303 PolarHBondContact O-N 2.98Å; R301-E303 VanDerWaalsContact C-N 3.27Å; R301-E303 PolarHBondContact O-N 3.49Å; E303-I305 HydrophobicContact CB-CD1 4.29Å
304	M	93.7	Very high	91.9	Very high	146 Å²	146	69.3 Å²	69.3	72%	0.719	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.6	172.2	-175.3	171.9	-70	0	0	109.1
305	I	93.4	Very high	91.7	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.4	179.5	-51.3	-54	0	0	0	109.7	L283 A297 F298 F300 E303 L309 V310	L283-I305 HydrophobicContact CD1-CD1 3.97Å; L283-I305 HydrophobicContact CD1-CG1 4.34Å; L283-I305 HydrophobicContact CD1-CG2 4.03Å; L283-I305 HydrophobicContact CD2-CG2 4.11Å; L283-I305 HydrophobicContact CG-CG2 4.15Å; A297-I305 VanDerWaalsContact CA-O 3.25Å; A297-I305 WeakPolarHBondContact CA-O 3.39Å; F298-I305 HydrophobicContact CD1-CB 4.25Å; F298-I305 HydrophobicContact CD2-CB 4.45Å; F298-I305 HydrophobicContact CE1-CB 3.84Å; F298-I305 HydrophobicContact CE1-CG2 3.69Å; F298-I305 HydrophobicContact CE2-CB 4.1Å; F298-I305 HydrophobicContact CE2-CG1 4.17Å; F298-I305 HydrophobicContact CE2-CG2 4.38Å; F298-I305 HydrophobicContact CZ-CB 3.78Å; F298-I305 HydrophobicContact CZ-CG1 4.23Å; F298-I305 HydrophobicContact CZ-CG2 3.62Å; F298-I305 PolarHBondContact N-O 2.97Å; F298-I305 VanDerWaalsContact N-O 3.1Å; F298-I305 PolarHBondContact O-N 3.17Å; F300-I305 HydrophobicContact CB-CD1 4.15Å; F300-I305 HydrophobicContact CB-CG1 3.48Å; F300-I305 VanDerWaalsContact CB-CG1 3.48Å; F300-I305 HydrophobicContact CD1-CD1 4.45Å; F300-I305 HydrophobicContact CD1-CG1 4.49Å; F300-I305 HydrophobicContact CG-CG1 4.45Å; E303-I305 HydrophobicContact CB-CD1 4.29Å; I305-L309 HydrophobicContact CD1-CD1 3.64Å; I305-L309 HydrophobicContact CG2-CB 4.04Å; I305-V310 HydrophobicContact CG2-CG2 4.12Å
306	D	91.9	Very high	91.7	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	38%	0.377	S	S	.	.			trans	-131.7	-175.7	171.5	65.8	-0.6	0	0	0	110.7	P308 L309 V310	D306-P308 VanDerWaalsContact OD1-CD 3.26Å; D306-P308 WeakPolarHBondContact OD1-CD 3.38Å; D306-L309 PolarHBondContact O-N 2.97Å; D306-V310 WeakPolarHBondContact O-CG2 3.32Å; D306-V310 PolarHBondContact O-N 3.5Å
307	M	92.3	Very high	91.9	Very high	85 Å²	85	66 Å²	66	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-56.5	-41.4	-173.8	-172.9	59.4	60.9	0	0	114.5	F287 L309 V310 L311	F287-M307 HydrophobicContact CE2-CE 4.06Å; F287-M307 HydrophobicContact CZ-CE 3.81Å; M307-L309 PolarHBondContact O-N 2.87Å; M307-V310 WeakPolarHBondContact O-CB 3.46Å; M307-V310 PolarHBondContact O-N 2.6Å; M307-V310 HydrophobicContact SD-CB 4.27Å; M307-V310 HydrophobicContact SD-CG1 4.26Å; M307-L311 HydrophobicContact CG-CD1 4.31Å; M307-L311 HydrophobicContact CG-CG 4.32Å; M307-L311 WeakPolarHBondContact O-CG 3.45Å; M307-L311 PolarHBondContact O-N 3.47Å; M307-L311 HydrophobicContact SD-CG 4.34Å
308	P	91.1	Very high	91.7	Very high	72 Å²	72	66.6 Å²	66.6	47%	0.468	35%	0.354	S	S	.	.	H	α-helix	trans	-49.2	-49	172	-31.5	32.8	0	0	0	114.9	D306 V310 L311 Q312	D306-P308 VanDerWaalsContact OD1-CD 3.26Å; D306-P308 WeakPolarHBondContact OD1-CD 3.38Å; P308-V310 VanDerWaalsContact C-N 3.33Å; P308-V310 PolarHBondContact O-N 3.16Å; P308-L311 PolarHBondContact O-N 2.99Å; P308-Q312 WeakPolarHBondContact O-CG 3.38Å; P308-Q312 PolarHBondContact O-N 3.46Å
309	L	92	Very high	91.2	Very high	39 Å²	39	66.5 Å²	66.5	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-68.6	-34.2	179.3	-76.2	168	0	0	0	111.9	W279 L283 I305 D306 M307 Q312 A313	W279-L309 HydrophobicContact CH2-CD2 4.4Å; L283-L309 HydrophobicContact CD1-CB 4.49Å; I305-L309 HydrophobicContact CD1-CD1 3.64Å; I305-L309 HydrophobicContact CG2-CB 4.04Å; D306-L309 PolarHBondContact O-N 2.97Å; M307-L309 PolarHBondContact O-N 2.87Å; L309-Q312 PolarHBondContact O-N 3.07Å; L309-A313 WeakPolarHBondContact O-CB 3.19Å; L309-A313 PolarHBondContact O-N 3.29Å
310	V	93	Very high	90.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-42.5	172.1	175	0	0	0	0	111.2	L283 L284 F287 I305 D306 M307 P308 Q312 A313 K314	L283-V310 HydrophobicContact CD2-CB 4.46Å; L283-V310 HydrophobicContact CD2-CG2 3.93Å; L284-V310 HydrophobicContact CD2-CG1 3.94Å; F287-V310 HydrophobicContact CB-CG2 4.08Å; F287-V310 HydrophobicContact CD1-CG1 3.86Å; F287-V310 HydrophobicContact CD1-CG2 4.43Å; F287-V310 HydrophobicContact CD2-CG1 4.3Å; F287-V310 HydrophobicContact CD2-CG2 3.51Å; F287-V310 HydrophobicContact CE1-CG1 4.06Å; F287-V310 HydrophobicContact CE2-CG1 4.46Å; F287-V310 HydrophobicContact CE2-CG2 4.04Å; F287-V310 HydrophobicContact CG-CG1 3.99Å; F287-V310 HydrophobicContact CG-CG2 3.72Å; F287-V310 HydrophobicContact CZ-CG1 4.35Å; I305-V310 HydrophobicContact CG2-CG2 4.12Å; D306-V310 WeakPolarHBondContact O-CG2 3.32Å; D306-V310 PolarHBondContact O-N 3.5Å; M307-V310 WeakPolarHBondContact O-CB 3.46Å; M307-V310 PolarHBondContact O-N 2.6Å; M307-V310 HydrophobicContact SD-CB 4.27Å; M307-V310 HydrophobicContact SD-CG1 4.26Å; P308-V310 VanDerWaalsContact C-N 3.33Å; P308-V310 PolarHBondContact O-N 3.16Å; V310-Q312 VanDerWaalsContact C-N 3.35Å; V310-A313 PolarHBondContact O-N 2.97Å; V310-K314 HydrophobicContact CG1-CD 4.28Å; V310-K314 WeakPolarHBondContact O-CG 3.41Å; V310-K314 PolarHBondContact O-N 3.36Å
311	L	91	Very high	90.2	Very high	102 Å²	102	68.8 Å²	68.8	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-38.7	176.7	-68.7	173.8	0	0	0	111.8	M307 P308 K314 Q315	M307-L311 HydrophobicContact CG-CD1 4.31Å; M307-L311 HydrophobicContact CG-CG 4.32Å; M307-L311 WeakPolarHBondContact O-CG 3.45Å; M307-L311 PolarHBondContact O-N 3.47Å; M307-L311 HydrophobicContact SD-CG 4.34Å; P308-L311 PolarHBondContact O-N 2.99Å; L311-K314 PolarHBondContact O-N 2.96Å; L311-Q315 PolarHBondContact O-N 2.9Å
312	Q	90.3	Very high	89.3	Confident	112 Å²	112	63.6 Å²	63.6	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-45.5	173.5	-69.2	-180	20.2	0	0	111.7	P308 L309 V310 K314 Q315 I316	P308-Q312 WeakPolarHBondContact O-CG 3.38Å; P308-Q312 PolarHBondContact O-N 3.46Å; L309-Q312 PolarHBondContact O-N 3.07Å; V310-Q312 VanDerWaalsContact C-N 3.35Å; Q312-K314 PolarHBondContact O-N 3.49Å; Q312-Q315 WeakPolarHBondContact O-CB 3.4Å; Q312-Q315 PolarHBondContact O-N 3.36Å; Q312-Q315 VanDerWaalsContact O-N 3.17Å; Q312-I316 WeakPolarHBondContact O-CG1 3.4Å; Q312-I316 PolarHBondContact O-N 3.08Å
313	A	92.5	Very high	88.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-43.2	176	0	0	0	0	0	112	W279 A280 L283 L284 L309 V310 Q315 I316 V317	W279-A313 HydrophobicContact CZ3-CB 4Å; A280-A313 HydrophobicContact CB-CB 3.91Å; L283-A313 HydrophobicContact CB-CB 4.49Å; L283-A313 HydrophobicContact CD2-CB 3.83Å; L284-A313 HydrophobicContact CD2-CB 4.03Å; L284-A313 HydrophobicContact CG-CB 4.03Å; L309-A313 WeakPolarHBondContact O-CB 3.19Å; L309-A313 PolarHBondContact O-N 3.29Å; V310-A313 PolarHBondContact O-N 2.97Å; A313-Q315 VanDerWaalsContact C-N 3.3Å; A313-Q315 PolarHBondContact O-N 2.92Å; A313-I316 PolarHBondContact O-N 2.56Å; A313-V317 PolarHBondContact O-N 3.47Å
314	K	92	Very high	87.9	Confident	61 Å²	61	66.5 Å²	66.5	27%	0.265	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-42.5	173.7	-74.6	174.5	-179	170.4	0	111.8	L284 V310 L311 Q312 S318	L284-K314 HydrophobicContact CD1-CG 4.24Å; L284-K314 HydrophobicContact CD2-CG 3.67Å; V310-K314 HydrophobicContact CG1-CD 4.28Å; V310-K314 WeakPolarHBondContact O-CG 3.41Å; V310-K314 PolarHBondContact O-N 3.36Å; L311-K314 PolarHBondContact O-N 2.96Å; Q312-K314 PolarHBondContact O-N 3.49Å; K314-S318 WeakPolarHBondContact O-CB 3.42Å; K314-S318 PolarHBondContact O-N 2.88Å
315	Q	87.5	Confident	87.6	Confident	121 Å²	121	62.3 Å²	62.3	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-66	-39.7	177.9	-173.4	61.4	30	0	0	112.2	L311 Q312 A313 S318 C319	L311-Q315 PolarHBondContact O-N 2.9Å; Q312-Q315 WeakPolarHBondContact O-CB 3.4Å; Q312-Q315 PolarHBondContact O-N 3.36Å; Q312-Q315 VanDerWaalsContact O-N 3.17Å; A313-Q315 VanDerWaalsContact C-N 3.3Å; A313-Q315 PolarHBondContact O-N 2.92Å; Q315-S318 PolarHBondContact O-N 3.05Å; Q315-C319 VanDerWaalsContact O-CB 3.31Å; Q315-C319 WeakPolarHBondContact O-CB 3.39Å; Q315-C319 PolarHBondContact O-N 3.01Å
316	I	88.6	Confident	87.2	Confident	30 Å²	30	65.7 Å²	65.7	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-49.5	176.5	-72.7	166.4	0	0	0	110.7	P272 Q276 V277 W279 A280 Q312 A313 C319 A320	P272-I316 HydrophobicContact CB-CG2 3.8Å; P272-I316 HydrophobicContact CG-CB 4.42Å; P272-I316 HydrophobicContact CG-CG2 3.9Å; Q276-I316 HydrophobicContact CB-CG2 4.38Å; V277-I316 HydrophobicContact CG2-CG2 4.38Å; W279-I316 HydrophobicContact CE3-CD1 4.18Å; W279-I316 HydrophobicContact CZ3-CD1 3.91Å; A280-I316 HydrophobicContact CB-CB 3.8Å; A280-I316 HydrophobicContact CB-CD1 4.34Å; A280-I316 HydrophobicContact CB-CG2 3.54Å; Q312-I316 WeakPolarHBondContact O-CG1 3.4Å; Q312-I316 PolarHBondContact O-N 3.08Å; A313-I316 PolarHBondContact O-N 2.56Å; I316-C319 PolarHBondContact O-N 2.71Å; I316-A320 PolarHBondContact O-N 3.05Å
317	V	90	Very high	87	Confident	27 Å²	27	65.3 Å²	65.3	16%	0.164	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-46.8	178.6	173.7	0	0	0	0	110.7	A280 L284 A313 C319 A320 E321	A280-V317 HydrophobicContact CB-CG2 3.89Å; L284-V317 HydrophobicContact CD1-CB 4.44Å; L284-V317 HydrophobicContact CD1-CG2 3.87Å; A313-V317 PolarHBondContact O-N 3.47Å; V317-C319 VanDerWaalsContact C-N 3.25Å; V317-C319 PolarHBondContact O-N 3.41Å; V317-A320 PolarHBondContact O-N 2.95Å; V317-A320 VanDerWaalsContact O-N 3.1Å; V317-E321 HydrophobicContact CG1-CG 4.43Å; V317-E321 WeakPolarHBondContact O-CG 3.44Å; V317-E321 PolarHBondContact O-N 3.15Å
318	S	85.9	Confident	86.6	Confident	64 Å²	64	64.1 Å²	64.1	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-36.8	177.2	179	0	0	0	0	112.6	K314 Q315 A322	K314-S318 WeakPolarHBondContact O-CB 3.42Å; K314-S318 PolarHBondContact O-N 2.88Å; Q315-S318 PolarHBondContact O-N 3.05Å; S318-A322 PolarHBondContact O-N 3.16Å
319	C	82.3	Confident	86.3	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-39.6	176.3	-173.5	0	0	0	0	112.2	Y30 P272 Q315 I316 V317 A322	Y30-C319 PolarHBondContact OH-SG 2.74Å; P272-C319 VanDerWaalsContact CD-SG 3.56Å; P272-C319 HydrophobicContact CG-CB 4.09Å; Q315-C319 VanDerWaalsContact O-CB 3.31Å; Q315-C319 WeakPolarHBondContact O-CB 3.39Å; Q315-C319 PolarHBondContact O-N 3.01Å; I316-C319 PolarHBondContact O-N 2.71Å; V317-C319 VanDerWaalsContact C-N 3.25Å; V317-C319 PolarHBondContact O-N 3.41Å; C319-A322 PolarHBondContact O-N 3.19Å
320	A	85	Confident	85.9	Confident	27 Å²	27	65.3 Å²	65.3	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-38	177.3	0	0	0	0	0	112.4	V277 I316 V317 A322 K323	V277-A320 HydrophobicContact CG1-CB 4.24Å; V277-A320 HydrophobicContact CG2-CB 3.62Å; I316-A320 PolarHBondContact O-N 3.05Å; V317-A320 PolarHBondContact O-N 2.95Å; V317-A320 VanDerWaalsContact O-N 3.1Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 3.03Å; A320-K323 VanDerWaalsContact O-CB 3.32Å; A320-K323 WeakPolarHBondContact O-CB 3.46Å; A320-K323 PolarHBondContact O-N 3.21Å
321	E	83.8	Confident	85.4	Confident	142 Å²	142	70.3 Å²	70.3	66%	0.664	36%	0.364	S	S	*	.	H	α-helix	trans	-69.7	-23.8	176.8	-69.7	179.6	165	0	0	113.4	V317 K323	V317-E321 HydrophobicContact CG1-CG 4.43Å; V317-E321 WeakPolarHBondContact O-CG 3.44Å; V317-E321 PolarHBondContact O-N 3.15Å; E321-K323 VanDerWaalsContact C-N 3.32Å
322	A	74.3	Confident	84.9	Confident	43 Å²	43	67.7 Å²	67.7	36%	0.355	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.1	178.8	0	0	0	0	0	114.2	Y30 S318 C319 A320	Y30-A322 HydrophobicContact CG-CB 4.4Å; S318-A322 PolarHBondContact O-N 3.16Å; C319-A322 PolarHBondContact O-N 3.19Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 3.03Å
323	K	66.8	Low	84.4	Confident	174 Å²	174	63.6 Å²	63.6	76%	0.757	33%	0.334	S	S	*	.			trans	-58.7	0	-175.2	173.6	-179.7	174.2	-178.7	0	113	R32 K90 V271 A320 E321	R32-K323 PolarHBondContact NH2-O 3.3Å; K90-K323 PolarHBondContact NZ-O 3.19Å; V271-K323 HydrophobicContact CG1-CD 4.5Å; A320-K323 VanDerWaalsContact O-CB 3.32Å; A320-K323 WeakPolarHBondContact O-CB 3.46Å; A320-K323 PolarHBondContact O-N 3.21Å; E321-K323 VanDerWaalsContact C-N 3.32Å

Retrieved 323 of 323 residues in 220.6 ms (Link to these results)

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