A0A077ZGY6_TRITR Loading...

Dak1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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	34.6	Very low	37.9	Very low	253 Å²	253	170.8 Å²	170.8	100%	1.246	86%	0.862	S	S	*	*				0	114.9	0	-160.8	158.7	178.6	0	0	107.8
2	G	38.1	Very low	37.9	Very low	71 Å²	71	167 Å²	167	73%	0.732	84%	0.844	S	S	*	*			trans	85.9	75.5	163.3	0	0	0	0	0	119	L4	G2-L4 PolarHBondContact O-N 3.4Å
3	Y	37.4	Very low	38	Very low	242 Å²	242	167.7 Å²	167.7	95%	0.949	84%	0.838	S	S	*	*			trans	-83.2	97.4	155.7	-84.3	-89	0	0	0	108.9	K5	Y3-K5 PolarHBondContact O-N 3.38Å; Y3-K5 VanDerWaalsContact O-N 3.15Å
4	L	38.8	Very low	38	Very low	172 Å²	172	166 Å²	166	90%	0.901	83%	0.833	S	S	*	*			trans	-74.5	96.7	171	-87.7	154.1	0	0	0	109.4	G2 K6	G2-L4 PolarHBondContact O-N 3.4Å; L4-K6 PolarHBondContact O-N 3.15Å
5	K	40.1	Very low	38.3	Very low	197 Å²	197	167.5 Å²	167.5	86%	0.857	83%	0.832	S	S	*	*			trans	-66.6	117.4	168.5	-96.1	179	172.9	177.1	0	109.4	Y3 I7	Y3-K5 PolarHBondContact O-N 3.38Å; Y3-K5 VanDerWaalsContact O-N 3.15Å; K5-I7 PolarHBondContact O-N 3.46Å
6	K	40.3	Very low	38.4	Very low	214 Å²	214	163.6 Å²	163.6	93%	0.93	82%	0.82	S	S	*	*			trans	-68.5	124.8	167.9	-83.8	-178.2	174.9	179.2	0	109.8	L4 G8	L4-K6 PolarHBondContact O-N 3.15Å; K6-G8 PolarHBondContact O-N 3.42Å
7	I	38.1	Very low	38.6	Very low	154 Å²	154	162.2 Å²	162.2	79%	0.79	81%	0.814	S	S	*	*			trans	-77.6	109.8	179.1	-58.8	165.4	0	0	0	107.4	K5	K5-I7 PolarHBondContact O-N 3.46Å
8	G	38	Very low	38.5	Very low	69 Å²	69	164.3 Å²	164.3	71%	0.711	81%	0.812	S	S	*	*			trans	-84.8	117.4	170.8	0	0	0	0	0	109.7	K6 K10	K6-G8 PolarHBondContact O-N 3.42Å; G8-K10 PolarHBondContact O-N 3.3Å
9	H	36.3	Very low	38.9	Very low	181 Å²	181	165.8 Å²	165.8	84%	0.838	81%	0.813	S	S	*	*			trans	-61.2	120.9	173.8	-79.4	-83	0	0	0	110.6	I11	H9-I11 PolarHBondContact O-N 3.14Å
10	K	36.3	Very low	39.5	Very low	183 Å²	183	166.4 Å²	166.4	80%	0.796	81%	0.814	S	S	*	*			trans	-87.5	100.1	174	-148.4	179.3	-170.8	-175.6	0	107.4	G8 I12	G8-K10 PolarHBondContact O-N 3.3Å; K10-I12 HydrophobicContact CD-CG1 4.37Å; K10-I12 HydrophobicContact CG-CG1 4.25Å; K10-I12 PolarHBondContact O-N 3.44Å; K10-I12 VanDerWaalsContact O-N 3.14Å
11	I	38.5	Very low	40.3	Very low	143 Å²	143	167.2 Å²	167.2	73%	0.733	82%	0.816	S	S	*	*			trans	-77.5	94.5	166.9	-58.5	176.7	0	0	0	106	H9 K13	H9-I11 PolarHBondContact O-N 3.14Å; I11-K13 HydrophobicContact CG2-CG 4.14Å; I11-K13 PolarHBondContact O-N 3.32Å; I11-K13 VanDerWaalsContact O-N 3.16Å
12	I	38.2	Very low	41.4	Very low	125 Å²	125	164.4 Å²	164.4	64%	0.641	80%	0.8	S	S	*	*			trans	-76.6	97.2	168.3	-57.3	175.2	0	0	0	105	K10 D14	K10-I12 HydrophobicContact CD-CG1 4.37Å; K10-I12 HydrophobicContact CG-CG1 4.25Å; K10-I12 PolarHBondContact O-N 3.44Å; K10-I12 VanDerWaalsContact O-N 3.14Å; I12-D14 PolarHBondContact O-N 3.16Å
13	K	38.7	Very low	42.9	Very low	176 Å²	176	170.2 Å²	170.2	77%	0.765	81%	0.808	S	S	*	*			trans	-70.9	114.9	164.3	-75	-173	175.2	-176.4	0	106.3	I11 K15	I11-K13 HydrophobicContact CG2-CG 4.14Å; I11-K13 PolarHBondContact O-N 3.32Å; I11-K13 VanDerWaalsContact O-N 3.16Å; K13-K15 PolarHBondContact O-N 2.88Å
14	D	38.8	Very low	45.1	Very low	144 Å²	144	160 Å²	160	77%	0.77	77%	0.771	S	S	*	*			trans	-49.3	102.9	170.3	-66.3	-40.5	0	0	0	108.8	I12 V16	I12-D14 PolarHBondContact O-N 3.16Å; D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 PolarHBondContact O-N 2.9Å; D14-V16 VanDerWaalsContact O-N 3.09Å
15	K	41.5	Very low	47.5	Very low	188 Å²	188	162 Å²	162	82%	0.817	77%	0.773	S	S	*	*			trans	-72.5	98.4	162.5	-81.8	-173.6	173.9	-173.5	0	105.1	K13 I17	K13-K15 PolarHBondContact O-N 2.88Å; K15-I17 HydrophobicContact CB-CG1 4.42Å; K15-I17 PolarHBondContact O-N 3.09Å
16	V	41.2	Very low	50.1	Low	105 Å²	105	155.1 Å²	155.1	64%	0.636	74%	0.743	S	S	*	*			trans	-59.4	97.8	154.2	179.6	0	0	0	0	105.1	D14 Y18	D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 PolarHBondContact O-N 2.9Å; D14-V16 VanDerWaalsContact O-N 3.09Å; V16-Y18 VanDerWaalsContact C-N 3.3Å; V16-Y18 HydrophobicContact CG1-CD2 4.42Å; V16-Y18 HydrophobicContact CG1-CE2 4.22Å; V16-Y18 PolarHBondContact O-N 3.08Å; V16-Y18 VanDerWaalsContact O-N 3.08Å
17	I	41.2	Very low	52.8	Low	141 Å²	141	153.5 Å²	153.5	72%	0.723	74%	0.742	S	S	*	*			trans	-72.6	98	168.2	-58.8	175.5	0	0	0	103.6	K15 K19	K15-I17 HydrophobicContact CB-CG1 4.42Å; K15-I17 PolarHBondContact O-N 3.09Å; I17-K19 PolarHBondContact O-N 2.95Å
18	Y	36.6	Very low	55.5	Low	199 Å²	199	148.7 Å²	148.7	78%	0.78	72%	0.717	S	S	*	*			trans	-55.1	114.7	157	-65.4	-88.4	0	0	0	104.6	V16 E20	V16-Y18 VanDerWaalsContact C-N 3.3Å; V16-Y18 HydrophobicContact CG1-CD2 4.42Å; V16-Y18 HydrophobicContact CG1-CE2 4.22Å; V16-Y18 PolarHBondContact O-N 3.08Å; V16-Y18 VanDerWaalsContact O-N 3.08Å; Y18-E20 VanDerWaalsContact C-N 3.33Å; Y18-E20 PolarHBondContact O-N 3.05Å
19	K	46.2	Very low	58.2	Low	193 Å²	193	152 Å²	152	84%	0.839	72%	0.719	S	S	*	*			trans	-54.7	111.9	161.2	-84.6	-173.5	171.1	-169.7	0	103.7	I17 E21	I17-K19 PolarHBondContact O-N 2.95Å; K19-E21 PolarHBondContact O-N 2.92Å
20	E	51.4	Low	61	Low	177 Å²	177	146.4 Å²	146.4	83%	0.827	70%	0.695	S	S	*	*			trans	-46.6	121	159	-76.2	174.6	160.3	0	0	104.5	Y18 E22	Y18-E20 VanDerWaalsContact C-N 3.33Å; Y18-E20 PolarHBondContact O-N 3.05Å; E20-E22 PolarHBondContact O-N 2.92Å
21	E	55.1	Low	63.7	Low	184 Å²	184	139.5 Å²	139.5	86%	0.86	67%	0.669	S	S	*	*			trans	-48	116.4	171.6	-73.6	176.4	158	0	0	105.4	K19 Q23	K19-E21 PolarHBondContact O-N 2.92Å; E21-Q23 VanDerWaalsContact C-N 3.3Å; E21-Q23 PolarHBondContact O-N 3.07Å
22	E	58.9	Low	66.3	Low	194 Å²	194	139.7 Å²	139.7	91%	0.907	67%	0.665	S	S	*	*			trans	-57.2	101	-177	-89.5	178.6	159.5	0	0	106.8	E20 V24	E20-E22 PolarHBondContact O-N 2.92Å; E22-V24 PolarHBondContact O-N 2.8Å; E22-V24 VanDerWaalsContact O-N 3.08Å
23	Q	68.6	Low	69	Low	193 Å²	193	136.7 Å²	136.7	90%	0.902	65%	0.65	S	S	*	*			trans	-66	115.5	-174.5	-159.3	-179.9	18.5	0	0	107.1	E21	E21-Q23 VanDerWaalsContact C-N 3.3Å; E21-Q23 PolarHBondContact O-N 3.07Å
24	V	84.7	Confident	71.8	Confident	28 Å²	28	129.5 Å²	129.5	17%	0.17	62%	0.621	C	S	.	*			trans	-67.5	136.7	178	65.5	0	0	0	0	109.1	E22 K26 I28 P31 T217	E22-V24 PolarHBondContact O-N 2.8Å; E22-V24 VanDerWaalsContact O-N 3.08Å; V24-K26 HydrophobicContact CG1-CB 4.34Å; V24-K26 HydrophobicContact CG1-CD 4.5Å; V24-K26 HydrophobicContact CG2-CD 4Å; V24-K26 HydrophobicContact CG2-CG 4.08Å; V24-K26 PolarHBondContact O-N 3.06Å; V24-I28 HydrophobicContact CG1-CD1 3.71Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-P31 HydrophobicContact CG1-CG 4.41Å; V24-T217 HydrophobicContact CG2-CG2 3.99Å
25	K	89.5	Confident	74.6	Confident	215 Å²	215	122.7 Å²	122.7	94%	0.935	58%	0.584	S	S	*	*	S	Bend	trans	-75.3	67.5	-177.8	-167.2	-176.5	179	-175.7	0	111.4
26	K	94.6	Very high	77.3	Confident	51 Å²	51	119.2 Å²	119.2	22%	0.222	57%	0.571	C	S	.	*	S	Bend	trans	-140.2	157.3	-179.2	-69.1	-179.6	-176.3	-71.8	0	110.8	V24 I28 T217 P219 E322	V24-K26 HydrophobicContact CG1-CB 4.34Å; V24-K26 HydrophobicContact CG1-CD 4.5Å; V24-K26 HydrophobicContact CG2-CD 4Å; V24-K26 HydrophobicContact CG2-CG 4.08Å; V24-K26 PolarHBondContact O-N 3.06Å; K26-I28 VanDerWaalsContact C-N 3.34Å; K26-I28 HydrophobicContact CB-CD1 4.12Å; K26-I28 HydrophobicContact CB-CG1 4.03Å; K26-I28 HydrophobicContact CB-CG2 4.34Å; K26-I28 HydrophobicContact CD-CD1 4.47Å; K26-I28 PolarHBondContact O-N 2.93Å; K26-T217 WeakPolarHBondContact CE-O 3.23Å; K26-T217 PolarHBondContact NZ-O 2.83Å; K26-P219 HydrophobicContact CD-CB 4.29Å; K26-P219 HydrophobicContact CD-CG 3.87Å; K26-E322 IonicContact NZ-OE1 2.79Å; K26-E322 PolarHBondContact NZ-OE1 2.91Å; K26-E322 IonicContact NZ-OE2 3.86Å; K26-E322 PolarHBondContact NZ-OE2 3.3Å
27	I	95.8	Very high	80	Confident	181 Å²	181	117.4 Å²	117.4	93%	0.928	56%	0.556	S	S	*	*	S	Bend	trans	-88.2	77	176.1	-53.4	174.6	0	0	0	108
28	I	95.5	Very high	82.8	Confident	52 Å²	52	113.1 Å²	113.1	27%	0.267	53%	0.533	S	S	.	.			trans	-144.1	157.9	-178.7	61.8	178	0	0	0	109.7	V24 K26 P31 V34 P219	V24-I28 HydrophobicContact CG1-CD1 3.71Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; K26-I28 VanDerWaalsContact C-N 3.34Å; K26-I28 HydrophobicContact CB-CD1 4.12Å; K26-I28 HydrophobicContact CB-CG1 4.03Å; K26-I28 HydrophobicContact CB-CG2 4.34Å; K26-I28 HydrophobicContact CD-CD1 4.47Å; K26-I28 PolarHBondContact O-N 2.93Å; I28-P31 HydrophobicContact CD1-CG 4.07Å; I28-V34 HydrophobicContact CB-CG2 4.16Å; I28-V34 HydrophobicContact CD1-CG2 3.94Å; I28-V34 HydrophobicContact CG2-CG2 3.92Å; I28-P219 HydrophobicContact CD1-CB 3.83Å; I28-P219 HydrophobicContact CD1-CG 4.47Å
29	N	95.1	Very high	85.7	Confident	138 Å²	138	103.6 Å²	103.6	74%	0.738	50%	0.496	S	S	*	.	S	Bend	trans	-85.2	-63.1	175.2	-60.9	-61.9	0	0	0	111.4	E37	N29-E37 PolarHBondContact ND2-OE1 3.2Å; N29-E37 PolarHBondContact ND2-OE2 3.06Å
30	D	94.1	Very high	88.2	Confident	64 Å²	64	97.9 Å²	97.9	34%	0.342	48%	0.48	S	S	.	.			trans	-131.7	128	176.3	-175.3	-28.5	0	0	0	108.6	K32 N33	D30-K32 PolarHBondContact O-N 2.99Å; D30-K32 WeakPolarHBondContact OD1-CB 3.47Å; D30-K32 PolarHBondContact OD1-N 2.73Å; D30-N33 PolarHBondContact O-N 3.08Å
31	P	93.4	Very high	90.5	Very high	39 Å²	39	91.6 Å²	91.6	25%	0.253	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-45.8	-32.8	173.6	-31.4	36.9	0	0	0	115.5	V24 I28 N33 V34 P219 E220	V24-P31 HydrophobicContact CG1-CG 4.41Å; I28-P31 HydrophobicContact CD1-CG 4.07Å; P31-N33 VanDerWaalsContact C-N 3.34Å; P31-V34 VanDerWaalsContact O-CG2 3.3Å; P31-V34 WeakPolarHBondContact O-CG2 3.26Å; P31-P219 HydrophobicContact CB-CB 4.01Å; P31-E220 HydrophobicContact CB-CG 3.96Å
32	K	92.7	Very high	92.5	Very high	146 Å²	146	84.5 Å²	84.5	64%	0.635	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-72.5	-25.7	-178.8	-65.4	174.2	-176.7	167.7	0	114	D30	D30-K32 PolarHBondContact O-N 2.99Å; D30-K32 WeakPolarHBondContact OD1-CB 3.47Å; D30-K32 PolarHBondContact OD1-N 2.73Å
33	N	95.8	Very high	94.4	Very high	62 Å²	62	76.6 Å²	76.6	33%	0.332	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-99.1	2.3	-175.6	-57.7	-19.6	0	0	0	112	D30 P31 V35 E36 E37	D30-N33 PolarHBondContact O-N 3.08Å; P31-N33 VanDerWaalsContact C-N 3.34Å; N33-V35 VanDerWaalsContact C-N 3.33Å; N33-V35 PolarHBondContact O-N 2.81Å; N33-E36 PolarHBondContact O-N 3.34Å; N33-E37 HydrophobicContact CB-CG 4.09Å; N33-E37 WeakPolarHBondContact O-CB 3.17Å; N33-E37 WeakPolarHBondContact O-CG 3.14Å; N33-E37 PolarHBondContact O-N 2.79Å
34	V	96.9	Very high	95.8	Very high	25 Å²	25	70.3 Å²	70.3	15%	0.152	38%	0.382	C	S	.	.	H	α-helix	trans	-55.1	-45.6	-169.6	167.9	0	0	0	0	112.4	I28 P31 M38 V99 P219	I28-V34 HydrophobicContact CB-CG2 4.16Å; I28-V34 HydrophobicContact CD1-CG2 3.94Å; I28-V34 HydrophobicContact CG2-CG2 3.92Å; P31-V34 VanDerWaalsContact O-CG2 3.3Å; P31-V34 WeakPolarHBondContact O-CG2 3.26Å; V34-M38 WeakPolarHBondContact O-CB 3.36Å; V34-M38 PolarHBondContact O-N 3.01Å; V34-V99 HydrophobicContact CG1-CG2 4.36Å; V34-P219 HydrophobicContact CG2-CB 4.27Å; V34-P219 HydrophobicContact CG2-CG 4.39Å
35	V	98.2	Very high	96.5	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.006	40%	0.398	C	S	.	.	H	α-helix	trans	-73.6	-39.9	-176.7	-176.3	0	0	0	0	111.6	N33 M38 V39 L57 C96 V99	N33-V35 VanDerWaalsContact C-N 3.33Å; N33-V35 PolarHBondContact O-N 2.81Å; V35-M38 HydrophobicContact CG1-CE 4.19Å; V35-M38 PolarHBondContact O-N 3.15Å; V35-V39 HydrophobicContact CG1-CG2 4.42Å; V35-V39 WeakPolarHBondContact O-CB 3.43Å; V35-V39 WeakPolarHBondContact O-CG2 3.12Å; V35-V39 PolarHBondContact O-N 3.44Å; V35-L57 HydrophobicContact CB-CD1 4.49Å; V35-L57 HydrophobicContact CG1-CD1 3.84Å; V35-L57 HydrophobicContact CG1-CD2 4.28Å; V35-C96 HydrophobicContact CG1-CB 4.06Å; V35-V99 HydrophobicContact CG2-CG2 4.18Å
36	E	98.3	Very high	96.9	Very high	116 Å²	116	66.4 Å²	66.4	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-48.3	175.3	-70.6	178.6	-168.6	0	0	111.5	N33 V39 S40 L57	N33-E36 PolarHBondContact O-N 3.34Å; E36-V39 PolarHBondContact O-N 3.23Å; E36-S40 WeakPolarHBondContact O-CB 3.24Å; E36-S40 PolarHBondContact O-N 3.23Å; E36-L57 HydrophobicContact CG-CD2 3.92Å
37	E	98.3	Very high	97	Very high	67 Å²	67	67.5 Å²	67.5	31%	0.313	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-39.1	177.9	-69.9	179.5	-173.6	0	0	111.6	N29 N33 S40 G41	N29-E37 PolarHBondContact ND2-OE1 3.2Å; N29-E37 PolarHBondContact ND2-OE2 3.06Å; N33-E37 HydrophobicContact CB-CG 4.09Å; N33-E37 WeakPolarHBondContact O-CB 3.17Å; N33-E37 WeakPolarHBondContact O-CG 3.14Å; N33-E37 PolarHBondContact O-N 2.79Å; E37-S40 PolarHBondContact O-N 3.11Å; E37-G41 PolarHBondContact O-N 3.43Å
38	M	98.4	Very high	97.1	Very high	50 Å²	50	65.3 Å²	65.3	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-48.6	175.7	179.4	-157	71	0	0	111.6	V34 V35 S40 G41 L42 S76 E79 C96	V34-M38 WeakPolarHBondContact O-CB 3.36Å; V34-M38 PolarHBondContact O-N 3.01Å; V35-M38 HydrophobicContact CG1-CE 4.19Å; V35-M38 PolarHBondContact O-N 3.15Å; M38-S40 VanDerWaalsContact C-N 3.33Å; M38-S40 PolarHBondContact O-N 3.3Å; M38-G41 PolarHBondContact O-N 2.61Å; M38-L42 WeakPolarHBondContact O-CB 3.35Å; M38-L42 PolarHBondContact O-N 3.39Å; M38-S76 WeakPolarHBondContact CE-OG 3.46Å; M38-E79 HydrophobicContact SD-CG 3.72Å; M38-E79 VanDerWaalsContact SD-OE1 3.35Å; M38-C96 HydrophobicContact CE-CB 4.43Å
39	V	98.7	Very high	97.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-45.2	177.9	168.5	0	0	0	0	110.3	V35 E36 G41 L42 V43 Q52 L57 V59 C96	V35-V39 HydrophobicContact CG1-CG2 4.42Å; V35-V39 WeakPolarHBondContact O-CB 3.43Å; V35-V39 WeakPolarHBondContact O-CG2 3.12Å; V35-V39 PolarHBondContact O-N 3.44Å; E36-V39 PolarHBondContact O-N 3.23Å; V39-G41 PolarHBondContact O-N 3.08Å; V39-L42 PolarHBondContact O-N 3.14Å; V39-V43 WeakPolarHBondContact O-CG2 3.12Å; V39-V43 PolarHBondContact O-N 3.04Å; V39-Q52 HydrophobicContact CG1-CG 3.91Å; V39-L57 HydrophobicContact CG2-CD2 4.22Å; V39-V59 HydrophobicContact CG1-CG2 4.01Å; V39-V59 HydrophobicContact CG2-CG2 4.37Å; V39-C96 HydrophobicContact CG2-CB 4.06Å
40	S	98.5	Very high	97.4	Very high	73 Å²	73	59.6 Å²	59.6	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-59.7	-44.9	176.1	-172.3	0	0	0	0	112	E36 E37 M38 G44	E36-S40 WeakPolarHBondContact O-CB 3.24Å; E36-S40 PolarHBondContact O-N 3.23Å; E37-S40 PolarHBondContact O-N 3.11Å; M38-S40 VanDerWaalsContact C-N 3.33Å; M38-S40 PolarHBondContact O-N 3.3Å; S40-G44 PolarHBondContact O-N 2.95Å
41	G	98.6	Very high	97.6	Very high	44 Å²	44	61.3 Å²	61.3	45%	0.454	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-42.5	177.5	0	0	0	0	0	113.2	E37 M38 V39 G44 A45	E37-G41 PolarHBondContact O-N 3.43Å; M38-G41 PolarHBondContact O-N 2.61Å; V39-G41 PolarHBondContact O-N 3.08Å; G41-G44 PolarHBondContact O-N 3.49Å; G41-A45 VanDerWaalsContact O-CB 3.26Å; G41-A45 WeakPolarHBondContact O-CB 3.46Å; G41-A45 PolarHBondContact O-N 3.38Å
42	L	98.6	Very high	97.9	Very high	36 Å²	36	63 Å²	63	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-50.9	177.3	179.6	72.5	0	0	0	111.2	M38 V39 G44 A45 Y46 V59 A83 I348	M38-L42 WeakPolarHBondContact O-CB 3.35Å; M38-L42 PolarHBondContact O-N 3.39Å; V39-L42 PolarHBondContact O-N 3.14Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 2.89Å; L42-A45 PolarHBondContact O-N 2.94Å; L42-Y46 HydrophobicContact CD1-CD2 3.88Å; L42-Y46 HydrophobicContact CD1-CE2 4.19Å; L42-Y46 WeakPolarHBondContact O-CD2 3.47Å; L42-Y46 PolarHBondContact O-N 2.99Å; L42-V59 HydrophobicContact CD2-CG1 4.18Å; L42-V59 HydrophobicContact CD2-CG2 4.19Å; L42-A83 HydrophobicContact CD2-CB 3.44Å; L42-A83 VanDerWaalsContact CD2-CB 3.44Å; L42-I348 HydrophobicContact CD1-CD1 3.97Å
43	V	98.5	Very high	98.1	Very high	28 Å²	28	56.8 Å²	56.8	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-38.1	179.9	172.8	0	0	0	0	111.1	V39 A45 V50 Q52	V39-V43 WeakPolarHBondContact O-CG2 3.12Å; V39-V43 PolarHBondContact O-N 3.04Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 2.74Å; V43-V50 HydrophobicContact CG2-CG2 4.24Å; V43-Q52 HydrophobicContact CG2-CB 4.17Å
44	G	98.4	Very high	98.2	Very high	60 Å²	60	59 Å²	59	62%	0.619	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-31.6	174.6	0	0	0	0	0	114	S40 G41 L42	S40-G44 PolarHBondContact O-N 2.95Å; G41-G44 PolarHBondContact O-N 3.49Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 2.89Å
45	A	98.6	Very high	98.2	Very high	62 Å²	62	67.4 Å²	67.4	51%	0.512	38%	0.379	S	S	.	.	H	α-helix	trans	-80.8	-31.3	179	0	0	0	0	0	113.3	G41 L42 V43 P47	G41-A45 VanDerWaalsContact O-CB 3.26Å; G41-A45 WeakPolarHBondContact O-CB 3.46Å; G41-A45 PolarHBondContact O-N 3.38Å; L42-A45 PolarHBondContact O-N 2.94Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 2.74Å; A45-P47 VanDerWaalsContact C-CD 3.43Å
46	Y	98.2	Very high	98.2	Very high	99 Å²	99	67.9 Å²	67.9	39%	0.388	38%	0.382	S	S	.	.			trans	-130.5	53.3	-173.6	-55.9	-78.1	0	0	0	113.6	L42 D48 Y49 V50 I348	L42-Y46 HydrophobicContact CD1-CD2 3.88Å; L42-Y46 HydrophobicContact CD1-CE2 4.19Å; L42-Y46 WeakPolarHBondContact O-CD2 3.47Å; L42-Y46 PolarHBondContact O-N 2.99Å; Y46-D48 PolarHBondContact O-N 2.8Å; Y46-Y49 HydrophobicContact CD1-CD2 4.33Å; Y46-Y49 PolarHBondContact O-N 3.24Å; Y46-V50 PolarHBondContact O-N 2.93Å; Y46-I348 HydrophobicContact CD1-CD1 4.33Å; Y46-I348 HydrophobicContact CD1-CG1 4.05Å; Y46-I348 HydrophobicContact CD1-CG2 4.21Å; Y46-I348 HydrophobicContact CD2-CD1 3.66Å; Y46-I348 HydrophobicContact CD2-CG1 4.23Å; Y46-I348 HydrophobicContact CD2-CG2 4.21Å; Y46-I348 HydrophobicContact CE1-CG2 3.95Å; Y46-I348 HydrophobicContact CE2-CD1 4.42Å; Y46-I348 HydrophobicContact CE2-CG2 3.96Å; Y46-I348 HydrophobicContact CG-CD1 3.6Å; Y46-I348 HydrophobicContact CG-CG1 3.82Å; Y46-I348 HydrophobicContact CG-CG2 4.33Å
47	P	97.5	Very high	98.3	Very high	75 Å²	75	63.4 Å²	63.4	49%	0.487	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.2	-174.7	27.2	-36.2	0	0	0	113.6	A45 Y49 S62	A45-P47 VanDerWaalsContact C-CD 3.43Å; P47-Y49 PolarHBondContact O-N 2.93Å; P47-S62 PolarHBondContact O-OG 3.33Å; P47-S62 VanDerWaalsContact O-OG 3.04Å
48	D	96.9	Very high	98.3	Very high	134 Å²	134	60.2 Å²	60.2	72%	0.717	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.4	177.2	-64.9	-27.6	0	0	0	112.7	Y46	Y46-D48 PolarHBondContact O-N 2.8Å
49	Y	98.2	Very high	98.3	Very high	69 Å²	69	57.9 Å²	57.9	27%	0.271	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-45.9	-178.5	-65.5	-94.1	0	0	0	111.8	Y46 P47 R61 S62 H346 I348	Y46-Y49 HydrophobicContact CD1-CD2 4.33Å; Y46-Y49 PolarHBondContact O-N 3.24Å; P47-Y49 PolarHBondContact O-N 2.93Å; Y49-R61 WeakPolarHBondContact O-CA 3.5Å; Y49-S62 PolarHBondContact O-N 2.75Å; Y49-H346 AromaticContact CD1-CD2 3.78Å; Y49-H346 AromaticContact CD1-NE2 3.78Å; Y49-H346 AromaticContact CE1-CD2 3.69Å; Y49-H346 AromaticContact CE1-CE1 3.54Å; Y49-H346 AromaticContact CE1-CG 3.98Å; Y49-H346 AromaticContact CE1-ND1 3.89Å; Y49-H346 AromaticContact CE1-NE2 3.42Å; Y49-H346 WeakPolarHBondContact CE1-NE2 3.29Å; Y49-H346 AromaticContact CZ-CE1 3.78Å; Y49-H346 AromaticContact CZ-NE2 3.82Å; Y49-I348 HydrophobicContact CD1-CG1 4.31Å; Y49-I348 HydrophobicContact CD2-CG1 4.36Å; Y49-I348 HydrophobicContact CG-CG1 3.97Å
50	V	98.7	Very high	98.3	Very high	1 Å²	1	58 Å²	58	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.6	-167.2	-61.3	0	0	0	0	113.5	V43 Y46 V59 A60 S62 V86 I348	V43-V50 HydrophobicContact CG2-CG2 4.24Å; Y46-V50 PolarHBondContact O-N 2.93Å; V50-V59 HydrophobicContact CB-CG1 3.54Å; V50-V59 HydrophobicContact CG1-CG1 3.79Å; V50-V59 HydrophobicContact CG2-CG1 3.87Å; V50-A60 CarbonylContact C-O 3.52Å; V50-A60 VanDerWaalsContact CA-O 3.28Å; V50-A60 WeakPolarHBondContact CA-O 3.25Å; V50-S62 WeakPolarHBondContact CA-OG 3.42Å; V50-S62 PolarHBondContact N-OG 2.85Å; V50-S62 PolarHBondContact O-OG 2.89Å; V50-V86 HydrophobicContact CG1-CB 3.89Å; V50-V86 HydrophobicContact CG1-CG1 3.83Å; V50-I348 HydrophobicContact CG1-CD1 4.34Å; V50-I348 HydrophobicContact CG2-CD1 4.23Å
51	K	98.6	Very high	98.3	Very high	101 Å²	101	54.8 Å²	54.8	44%	0.439	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.1	173.4	65.5	-170.6	175	-158.2	0	110.3	A60 R61 S62	K51-A60 HydrophobicContact CG-CB 4.47Å; K51-A60 PolarHBondContact N-O 3.26Å; K51-A60 PolarHBondContact O-N 3.19Å; K51-R61 WeakPolarHBondContact CE-O 3.25Å; K51-S62 PolarHBondContact N-OG 2.99Å
52	Q	98.7	Very high	98.3	Very high	74 Å²	74	54.7 Å²	54.7	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.4	171	-166.9	174	1.8	0	0	109.6	V39 V43 T56 V58	V39-Q52 HydrophobicContact CG1-CG 3.91Å; V43-Q52 HydrophobicContact CG2-CB 4.17Å; Q52-T56 PolarHBondContact NE2-O 2.72Å; Q52-V58 WeakPolarHBondContact CA-O 3.41Å
53	V	98.6	Very high	98.2	Very high	15 Å²	15	56 Å²	56	9%	0.091	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-70.4	129.9	167.3	178.7	0	0	0	0	107.7	E55 T56 V58 A60 A114	V53-E55 PolarHBondContact O-N 2.79Å; V53-T56 HydrophobicContact CB-CG2 4.49Å; V53-T56 WeakPolarHBondContact CB-OG1 3.07Å; V53-T56 HydrophobicContact CG1-CG2 4.19Å; V53-T56 PolarHBondContact O-N 2.78Å; V53-T56 PolarHBondContact O-OG1 2.66Å; V53-V58 HydrophobicContact CB-CB 4Å; V53-V58 HydrophobicContact CB-CG1 4.36Å; V53-V58 HydrophobicContact CG2-CB 3.91Å; V53-V58 HydrophobicContact CG2-CG1 3.72Å; V53-V58 PolarHBondContact N-O 3.12Å; V53-A60 HydrophobicContact CG2-CB 4.04Å; V53-A114 HydrophobicContact CB-CB 4.48Å; V53-A114 HydrophobicContact CG1-CB 3.96Å; V53-A114 HydrophobicContact CG2-CB 3.65Å
54	P	97.9	Very high	98.1	Very high	109 Å²	109	60.9 Å²	60.9	71%	0.708	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	136	-171.7	-28.3	35.1	0	0	0	113.4	T56	P54-T56 WeakPolarHBondContact O-CG2 2.89Å; P54-T56 PolarHBondContact O-N 2.85Å
55	E	96.4	Very high	98	Very high	201 Å²	201	59.2 Å²	59.2	94%	0.939	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	21.1	176	-53.7	179.2	178.9	0	0	114.6	V53	V53-E55 PolarHBondContact O-N 2.79Å
56	T	98.5	Very high	98	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.067	32%	0.318	C	S	.	.	S	Bend	trans	-130.7	170	178	75.1	0	0	0	0	112.2	Q52 V53 P54 V58 Q107 E110	Q52-T56 PolarHBondContact NE2-O 2.72Å; V53-T56 HydrophobicContact CB-CG2 4.49Å; V53-T56 WeakPolarHBondContact CB-OG1 3.07Å; V53-T56 HydrophobicContact CG1-CG2 4.19Å; V53-T56 PolarHBondContact O-N 2.78Å; V53-T56 PolarHBondContact O-OG1 2.66Å; P54-T56 WeakPolarHBondContact O-CG2 2.89Å; P54-T56 PolarHBondContact O-N 2.85Å; T56-V58 VanDerWaalsContact C-N 3.29Å; T56-V58 WeakPolarHBondContact OG1-CB 3.34Å; T56-V58 PolarHBondContact OG1-N 2.84Å; T56-V58 VanDerWaalsContact OG1-N 3.09Å; T56-Q107 VanDerWaalsContact CA-OE1 3.29Å; T56-E110 HydrophobicContact CG2-CB 4.05Å; T56-E110 HydrophobicContact CG2-CG 4.4Å
57	L	98.7	Very high	98	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	30%	0.303	C	S	.	.	S	Bend	trans	-95.8	23.2	166.8	-62.2	175.7	0	0	0	112	V35 E36 V39 C96	V35-L57 HydrophobicContact CB-CD1 4.49Å; V35-L57 HydrophobicContact CG1-CD1 3.84Å; V35-L57 HydrophobicContact CG1-CD2 4.28Å; E36-L57 HydrophobicContact CG-CD2 3.92Å; V39-L57 HydrophobicContact CG2-CD2 4.22Å; L57-C96 HydrophobicContact CB-CB 4.25Å; L57-C96 VanDerWaalsContact CB-O 3.24Å; L57-C96 WeakPolarHBondContact CB-O 3.43Å; L57-C96 WeakPolarHBondContact O-CB 3.4Å; L57-C96 PolarHBondContact O-N 2.65Å; L57-C96 VanDerWaalsContact O-N 3.09Å
58	V	98.9	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.6	178.4	-178.4	0	0	0	0	109.7	Q52 V53 T56 A93 V95 Q107 A111	Q52-V58 WeakPolarHBondContact CA-O 3.41Å; V53-V58 HydrophobicContact CB-CB 4Å; V53-V58 HydrophobicContact CB-CG1 4.36Å; V53-V58 HydrophobicContact CG2-CB 3.91Å; V53-V58 HydrophobicContact CG2-CG1 3.72Å; V53-V58 PolarHBondContact N-O 3.12Å; T56-V58 VanDerWaalsContact C-N 3.29Å; T56-V58 WeakPolarHBondContact OG1-CB 3.34Å; T56-V58 PolarHBondContact OG1-N 2.84Å; T56-V58 VanDerWaalsContact OG1-N 3.09Å; V58-A93 HydrophobicContact CG1-CB 3.92Å; V58-V95 HydrophobicContact CG2-CG1 4.11Å; V58-V95 HydrophobicContact CG2-CG2 4.4Å; V58-Q107 VanDerWaalsContact CG2-O 3.26Å; V58-Q107 WeakPolarHBondContact CG2-O 3.39Å; V58-A111 HydrophobicContact CB-CB 4.3Å; V58-A111 HydrophobicContact CG1-CB 3.47Å; V58-A111 VanDerWaalsContact CG1-CB 3.47Å; V58-A111 HydrophobicContact CG2-CB 3.8Å
59	V	98.9	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.3	171.6	-179.2	0	0	0	0	108.1	V39 L42 V50 A83 A93 A94	V39-V59 HydrophobicContact CG1-CG2 4.01Å; V39-V59 HydrophobicContact CG2-CG2 4.37Å; L42-V59 HydrophobicContact CD2-CG1 4.18Å; L42-V59 HydrophobicContact CD2-CG2 4.19Å; V50-V59 HydrophobicContact CB-CG1 3.54Å; V50-V59 HydrophobicContact CG1-CG1 3.79Å; V50-V59 HydrophobicContact CG2-CG1 3.87Å; V59-A83 HydrophobicContact CB-CB 4.14Å; V59-A83 HydrophobicContact CG1-CB 4.23Å; V59-A83 HydrophobicContact CG2-CB 4.22Å; V59-A93 CarbonylContact O-C 3.56Å; V59-A93 WeakPolarHBondContact O-CA 3.41Å; V59-A93 WeakPolarHBondContact O-CB 3.33Å; V59-A94 PolarHBondContact N-O 3.05Å; V59-A94 PolarHBondContact O-N 2.91Å
60	A	98.8	Very high	98.2	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	154.9	-179.4	0	0	0	0	0	111.1	V50 K51 V53 V86 S92 A93 T115	V50-A60 CarbonylContact C-O 3.52Å; V50-A60 VanDerWaalsContact CA-O 3.28Å; V50-A60 WeakPolarHBondContact CA-O 3.25Å; K51-A60 HydrophobicContact CG-CB 4.47Å; K51-A60 PolarHBondContact N-O 3.26Å; K51-A60 PolarHBondContact O-N 3.19Å; V53-A60 HydrophobicContact CG2-CB 4.04Å; A60-V86 VanDerWaalsContact C-CG1 3.46Å; A60-S92 WeakPolarHBondContact CA-O 3.01Å; A60-A93 HydrophobicContact CB-CB 4.09Å; A60-T115 HydrophobicContact CB-CG2 4.22Å
61	R	98.5	Very high	98.2	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	143.9	176.9	65	-169.9	-78.1	-173.6	-6.7	111.3	Y49 K51 D63 Y65 V86 G87 D88 S92	Y49-R61 WeakPolarHBondContact O-CA 3.5Å; K51-R61 WeakPolarHBondContact CE-O 3.25Å; R61-D63 WeakPolarHBondContact CB-OD1 3.3Å; R61-D63 IonicContact CZ-OD1 2.76Å; R61-D63 IonicContact CZ-OD2 3.11Å; R61-D63 IonicContact NE-OD1 3.98Å; R61-D63 PolarHBondContact NE-OD1 3.06Å; R61-D63 IonicContact NE-OD2 3.81Å; R61-D63 IonicContact NH2-OD1 2.66Å; R61-D63 IonicContact NH2-OD2 2.99Å; R61-D63 PolarHBondContact NH2-OD2 3.05Å; R61-Y65 VanDerWaalsContact CD-CE1 3.44Å; R61-Y65 HydrophobicContact CG-CD1 4.03Å; R61-Y65 HydrophobicContact CG-CE1 3.63Å; R61-V86 HydrophobicContact CB-CG1 3.78Å; R61-G87 PolarHBondContact NH1-O 3.17Å; R61-D88 IonicContact CZ-OD1 3.72Å; R61-D88 VanDerWaalsContact NH2-CA 3.26Å; R61-D88 IonicContact NH2-OD1 2.73Å; R61-D88 PolarHBondContact NH2-OD1 3.07Å; R61-D88 VanDerWaalsContact NH2-OD1 3.08Å; R61-S92 PolarHBondContact N-O 2.85Å
62	S	97.4	Very high	98.2	Very high	42 Å²	42	39.9 Å²	39.9	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-80.9	-28.2	-175.1	-75.5	0	0	0	0	113.3	P47 Y49 V50 K51	P47-S62 PolarHBondContact O-OG 3.33Å; P47-S62 VanDerWaalsContact O-OG 3.04Å; Y49-S62 PolarHBondContact O-N 2.75Å; V50-S62 WeakPolarHBondContact CA-OG 3.42Å; V50-S62 PolarHBondContact N-OG 2.85Å; V50-S62 PolarHBondContact O-OG 2.89Å; K51-S62 PolarHBondContact N-OG 2.99Å
63	D	96.9	Very high	98.2	Very high	64 Å²	64	36.4 Å²	36.4	34%	0.342	20%	0.197	S	C	.	.	S	Bend	trans	-81.1	170.9	-179	67.3	-41.2	0	0	0	113.4	R61	R61-D63 WeakPolarHBondContact CB-OD1 3.3Å; R61-D63 IonicContact CZ-OD1 2.76Å; R61-D63 IonicContact CZ-OD2 3.11Å; R61-D63 IonicContact NE-OD1 3.98Å; R61-D63 PolarHBondContact NE-OD1 3.06Å; R61-D63 IonicContact NE-OD2 3.81Å; R61-D63 IonicContact NH2-OD1 2.66Å; R61-D63 IonicContact NH2-OD2 2.99Å; R61-D63 PolarHBondContact NH2-OD2 3.05Å
64	D	96.4	Very high	98.2	Very high	130 Å²	130	35.9 Å²	35.9	70%	0.695	19%	0.194	S	C	*	.			trans	-100.2	152.9	177.9	-161.5	27	0	0	0	110.9	K117	D64-K117 IonicContact OD1-NZ 3.25Å
65	Y	97.8	Very high	98.2	Very high	25 Å²	25	31 Å²	31	10%	0.098	16%	0.163	C	C	.	.			trans	-156.8	157.9	-176.5	57	-89.3	0	0	0	110.9	R61 Q67 S92 T115 K117	R61-Y65 VanDerWaalsContact CD-CE1 3.44Å; R61-Y65 HydrophobicContact CG-CD1 4.03Å; R61-Y65 HydrophobicContact CG-CE1 3.63Å; Y65-Q67 HydrophobicContact CD2-CG 3.66Å; Y65-Q67 HydrophobicContact CE2-CG 4.49Å; Y65-Q67 HydrophobicContact CG-CG 4.33Å; Y65-S92 WeakPolarHBondContact OH-CB 3.49Å; Y65-S92 PolarHBondContact OH-OG 2.76Å; Y65-T115 WeakPolarHBondContact OH-CA 3.27Å; Y65-T115 VanDerWaalsContact OH-CB 3.25Å; Y65-T115 WeakPolarHBondContact OH-CB 3.3Å; Y65-T115 PolarHBondContact OH-O 3.41Å; Y65-K117 HydrophobicContact CD2-CG 4.2Å; Y65-K117 HydrophobicContact CE2-CG 3.82Å
66	D	97.5	Very high	98.2	Very high	116 Å²	116	21.6 Å²	21.6	62%	0.62	12%	0.12	S	C	*	.			trans	-128.5	69.7	178.4	-173.8	32.4	0	0	0	110.6	K119	D66-K119 WeakPolarHBondContact OD1-CE 3.41Å; D66-K119 IonicContact OD1-NZ 3.6Å; D66-K119 IonicContact OD2-NZ 3.9Å
67	Q	98.6	Very high	98.2	Very high	14 Å²	14	21.2 Å²	21.2	7%	0.065	12%	0.118	C	C	.	.	S	Bend	trans	-152	170.8	-177.1	59	-176.4	53.3	0	0	110.2	Y65 A69 K119 A186	Y65-Q67 HydrophobicContact CD2-CG 3.66Å; Y65-Q67 HydrophobicContact CE2-CG 4.49Å; Y65-Q67 HydrophobicContact CG-CG 4.33Å; Q67-A69 PolarHBondContact O-N 3.48Å; Q67-K119 WeakPolarHBondContact O-CB 3.09Å; Q67-A186 VanDerWaalsContact CB-O 3.25Å; Q67-A186 WeakPolarHBondContact CB-O 3.3Å
68	V	98.9	Very high	98.2	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	11%	0.113	C	C	.	.			trans	-52.9	130.2	168.9	173.9	0	0	0	0	109.5	L70 K119 L122 K190 V192 L195	V68-L70 HydrophobicContact CG1-CD2 4.34Å; V68-K119 HydrophobicContact CG2-CB 4.5Å; V68-K119 WeakPolarHBondContact CG2-O 3.19Å; V68-L122 HydrophobicContact CG1-CB 4.11Å; V68-K190 WeakPolarHBondContact CG2-O 3.47Å; V68-V192 HydrophobicContact CG1-CG2 3.86Å; V68-V192 HydrophobicContact CG2-CG2 3.92Å; V68-L195 HydrophobicContact CB-CD1 3.81Å; V68-L195 HydrophobicContact CG1-CD1 3.79Å; V68-L195 HydrophobicContact CG2-CD1 4.08Å
69	A	98.9	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	175.1	0	0	0	0	0	110.2	Q67 S92 T115 G120 T121 L122	Q67-A69 PolarHBondContact O-N 3.48Å; A69-S92 WeakPolarHBondContact CA-OG 3.22Å; A69-T115 WeakPolarHBondContact CB-O 3.1Å; A69-G120 PolarHBondContact N-O 3.01Å; A69-T121 HydrophobicContact CB-CG2 4.39Å; A69-T121 CarbonylContact O-C 3.44Å; A69-T121 VanDerWaalsContact O-CA 3.31Å; A69-T121 WeakPolarHBondContact O-CA 3.42Å; A69-L122 PolarHBondContact O-N 2.87Å
70	L	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.3	175.3	-59.5	-171.9	0	0	0	109.8	V68 L91 S92 A93 L122 I182 G183 A186 L195	V68-L70 HydrophobicContact CG1-CD2 4.34Å; L70-L91 HydrophobicContact CB-CD2 4.04Å; L70-S92 PolarHBondContact N-OG 3.45Å; L70-S92 WeakPolarHBondContact O-CA 3.45Å; L70-S92 WeakPolarHBondContact O-CB 3.47Å; L70-S92 PolarHBondContact O-N 3.39Å; L70-A93 PolarHBondContact O-N 3.48Å; L70-L122 WeakPolarHBondContact CA-O 3.16Å; L70-L122 HydrophobicContact CD2-CB 3.76Å; L70-L122 HydrophobicContact CD2-CD2 4.11Å; L70-I182 HydrophobicContact CD1-CB 4.4Å; L70-I182 HydrophobicContact CD1-CG2 3.8Å; L70-I182 HydrophobicContact CD2-CG2 3.79Å; L70-I182 HydrophobicContact CG-CG2 4.49Å; L70-G183 VanDerWaalsContact CD1-CA 3.42Å; L70-A186 HydrophobicContact CD1-CB 3.97Å; L70-A186 HydrophobicContact CD2-CB 4.23Å; L70-A186 HydrophobicContact CG-CB 4.11Å; L70-L195 HydrophobicContact CD2-CD1 4.28Å
71	V	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.3	179.4	177.7	0	0	0	0	109.1	V95 A111 T121 L122 M123 I124	V71-V95 HydrophobicContact CG1-CG2 3.91Å; V71-A111 HydrophobicContact CG1-CB 4.1Å; V71-T121 HydrophobicContact CB-CG2 4.11Å; V71-T121 HydrophobicContact CG2-CG2 3.68Å; V71-L122 PolarHBondContact N-O 2.57Å; V71-M123 HydrophobicContact CB-CG 4.5Å; V71-M123 CarbonylContact O-C 3.57Å; V71-M123 WeakPolarHBondContact O-CA 3.46Å; V71-I124 PolarHBondContact O-N 3.04Å
72	S	98.8	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	173.2	168.9	-163.1	0	0	0	0	109.5	A93 A94 V95 I124 H179	S72-A93 PolarHBondContact N-O 2.79Å; S72-A93 VanDerWaalsContact N-O 3.08Å; S72-A94 CarbonylContact O-C 3.55Å; S72-A94 VanDerWaalsContact O-CA 3.25Å; S72-A94 WeakPolarHBondContact O-CA 3.38Å; S72-V95 PolarHBondContact O-N 3.01Å; S72-I124 WeakPolarHBondContact CB-O 3.32Å; S72-I124 PolarHBondContact OG-O 2.78Å; S72-H179 WeakPolarHBondContact CB-NE2 3.46Å; S72-H179 PolarHBondContact OG-NE2 2.87Å; S72-H179 VanDerWaalsContact OG-NE2 3.11Å
73	G	98.4	Very high	98.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-177.3	-176	0	0	0	0	0	112.7	H82 V95 K126	G73-H82 VanDerWaalsContact C-CD2 3.41Å; G73-H82 VanDerWaalsContact CA-CD2 3.46Å; G73-H82 WeakPolarHBondContact CA-CD2 3.37Å; G73-H82 PolarHBondContact N-CD2 3.49Å; G73-H82 PolarHBondContact O-CD2 3.28Å; G73-H82 VanDerWaalsContact O-CD2 3.23Å; G73-H82 PolarHBondContact O-NE2 3.23Å; G73-V95 WeakPolarHBondContact CA-O 3.37Å; G73-K126 PolarHBondContact O-NZ 2.74Å
74	G	98.1	Very high	98.3	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-174.8	-179.7	0	0	0	0	0	110.7	V95 G97 P103 D131	G74-V95 PolarHBondContact N-O 3.48Å; G74-G97 WeakPolarHBondContact O-CA 3.49Å; G74-G97 PolarHBondContact O-N 3.07Å; G74-P103 VanDerWaalsContact CA-CD 3.49Å; G74-D131 WeakPolarHBondContact CA-OD1 3.12Å
75	G	97.2	Very high	98.4	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	143.5	174.1	0	0	0	0	0	112.9	H78 Q98 T101	G75-H78 PolarHBondContact O-CD2 3.19Å; G75-H78 VanDerWaalsContact O-CD2 3.22Å; G75-Q98 CarbonylContact C-O 3.48Å; G75-Q98 WeakPolarHBondContact CA-O 3.28Å; G75-T101 WeakPolarHBondContact CA-O 3.11Å; G75-T101 PolarHBondContact N-O 3.41Å
76	S	98.4	Very high	98.5	Very high	5 Å²	5	13.5 Å²	13.5	4%	0.035	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	165.5	170.2	-79.5	0	0	0	0	112.1	M38 E79 G97 Q98 V99 F100	M38-S76 WeakPolarHBondContact CE-OG 3.46Å; S76-E79 WeakPolarHBondContact CA-OE1 3.49Å; S76-G97 WeakPolarHBondContact CB-O 3.47Å; S76-G97 PolarHBondContact N-O 2.75Å; S76-G97 VanDerWaalsContact N-O 3.13Å; S76-G97 PolarHBondContact OG-O 3.01Å; S76-Q98 PolarHBondContact N-O 2.78Å; S76-Q98 VanDerWaalsContact N-O 3.11Å; S76-V99 CarbonylContact O-C 3.32Å; S76-V99 WeakPolarHBondContact O-CA 3.3Å; S76-F100 WeakPolarHBondContact O-CD1 3.25Å; S76-F100 PolarHBondContact O-N 3.02Å
77	G	97.9	Very high	98.5	Very high	2 Å²	2	8 Å²	8	2%	0.021	5%	0.047	C	C	.	.	S	Bend	trans	101	10.6	-174.5	0	0	0	0	0	113.7	E79 S320 L321	G77-E79 VanDerWaalsContact C-OE2 3.31Å; G77-E79 WeakPolarHBondContact CA-OE2 3.38Å; G77-E79 PolarHBondContact N-OE1 2.86Å; G77-E79 PolarHBondContact N-OE2 2.88Å; G77-E79 VanDerWaalsContact N-OE2 3.09Å; G77-S320 CarbonylContact O-C 3.47Å; G77-S320 VanDerWaalsContact O-CA 3.31Å; G77-S320 WeakPolarHBondContact O-CA 3.48Å; G77-L321 VanDerWaalsContact CA-CD2 3.41Å; G77-L321 PolarHBondContact O-N 2.97Å
78	H	98.5	Very high	98.5	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.023	6%	0.055	C	C	.	.	S	Bend	trans	-114.5	13.2	175.7	-56.5	-54.8	0	0	0	113.3	G75 S81 F100 I239 H240 M318 T319	G75-H78 PolarHBondContact O-CD2 3.19Å; G75-H78 VanDerWaalsContact O-CD2 3.22Å; H78-S81 CarbonylContact C-O 3.56Å; H78-S81 VanDerWaalsContact O-CB 3.3Å; H78-S81 WeakPolarHBondContact O-CB 3.13Å; H78-S81 PolarHBondContact O-N 3.44Å; H78-F100 AromaticContact CE1-CD1 3.54Å; H78-F100 AromaticContact CE1-CE1 3.35Å; H78-F100 WeakPolarHBondContact CE1-CE1 3.31Å; H78-F100 AromaticContact ND1-CE1 3.98Å; H78-F100 AromaticContact NE2-CD1 3.57Å; H78-F100 AromaticContact NE2-CE1 3.85Å; H78-I239 PolarHBondContact CE1-O 2.97Å; H78-H240 AromaticContact CE1-CD2 3.5Å; H78-H240 AromaticContact CE1-NE2 3.92Å; H78-H240 AromaticContact NE2-CD2 3.17Å; H78-H240 PolarHBondContact NE2-CD2 3.04Å; H78-H240 AromaticContact NE2-NE2 3.21Å; H78-H240 PolarHBondContact NE2-NE2 3.31Å; H78-M318 HydrophobicContact CB-CG 4.22Å; H78-T319 VanDerWaalsContact C-OG1 3.25Å; H78-T319 VanDerWaalsContact CA-O 3.29Å; H78-T319 WeakPolarHBondContact CA-O 3.31Å; H78-T319 PolarHBondContact ND1-O 3.42Å; H78-T319 PolarHBondContact O-N 3.28Å
79	E	98.5	Very high	98.5	Very high	63 Å²	63	9.2 Å²	9.2	29%	0.294	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	136.6	-170.9	-65.6	69.7	-142.8	0	0	111.1	M38 S76 G77 T319	M38-E79 HydrophobicContact SD-CG 3.72Å; M38-E79 VanDerWaalsContact SD-OE1 3.35Å; S76-E79 WeakPolarHBondContact CA-OE1 3.49Å; G77-E79 VanDerWaalsContact C-OE2 3.31Å; G77-E79 WeakPolarHBondContact CA-OE2 3.38Å; G77-E79 PolarHBondContact N-OE1 2.86Å; G77-E79 PolarHBondContact N-OE2 2.88Å; G77-E79 VanDerWaalsContact N-OE2 3.09Å; E79-T319 PolarHBondContact N-OG1 3.18Å; E79-T319 VanDerWaalsContact O-CG2 3.26Å; E79-T319 WeakPolarHBondContact O-CG2 3.41Å; E79-T319 PolarHBondContact O-OG1 3.13Å
80	P	98.4	Very high	98.5	Very high	31 Å²	31	9.2 Å²	9.2	20%	0.201	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	cis	-80.4	-3.3	12.1	32.6	-36.2	0	0	0	115.6	H82 A83 G84 F85 N316 A349	P80-H82 CarbonylContact O-C 3.48Å; P80-H82 VanDerWaalsContact O-C 3.25Å; P80-H82 PolarHBondContact O-N 3.4Å; P80-A83 PolarHBondContact O-N 3.49Å; P80-G84 PolarHBondContact O-N 3.48Å; P80-F85 HydrophobicContact CG-CE2 4.44Å; P80-F85 HydrophobicContact CG-CZ 4.04Å; P80-N316 WeakPolarHBondContact CD-O 3.4Å; P80-A349 HydrophobicContact CB-CB 3.41Å; P80-A349 VanDerWaalsContact CB-CB 3.41Å; P80-A349 HydrophobicContact CG-CB 3.64Å
81	S	98.6	Very high	98.5	Very high	6 Å²	6	9.2 Å²	9.2	4%	0.042	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	124.6	174.3	-71.4	0	0	0	0	111	H78 F85 Y317 M318	H78-S81 CarbonylContact C-O 3.56Å; H78-S81 VanDerWaalsContact O-CB 3.3Å; H78-S81 WeakPolarHBondContact O-CB 3.13Å; H78-S81 PolarHBondContact O-N 3.44Å; S81-F85 WeakPolarHBondContact OG-CE2 3.39Å; S81-Y317 PolarHBondContact N-O 2.92Å; S81-Y317 PolarHBondContact OG-O 3.36Å; S81-M318 WeakPolarHBondContact OG-CB 3.41Å
82	H	98.6	Very high	98.5	Very high	16 Å²	16	9.2 Å²	9.2	7%	0.074	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	cis	-105.8	-17.2	-1.6	-56.7	-56.8	0	0	0	113.6	G73 P80 G84 F85 L91 A94 H179	G73-H82 VanDerWaalsContact C-CD2 3.41Å; G73-H82 VanDerWaalsContact CA-CD2 3.46Å; G73-H82 WeakPolarHBondContact CA-CD2 3.37Å; G73-H82 PolarHBondContact N-CD2 3.49Å; G73-H82 PolarHBondContact O-CD2 3.28Å; G73-H82 VanDerWaalsContact O-CD2 3.23Å; G73-H82 PolarHBondContact O-NE2 3.23Å; P80-H82 CarbonylContact O-C 3.48Å; P80-H82 VanDerWaalsContact O-C 3.25Å; P80-H82 PolarHBondContact O-N 3.4Å; H82-G84 PolarHBondContact O-N 3.04Å; H82-G84 VanDerWaalsContact O-N 3.17Å; H82-F85 PolarHBondContact O-N 3.05Å; H82-L91 HydrophobicContact CB-CD1 3.92Å; H82-A94 HydrophobicContact CB-CB 3.83Å; H82-H179 AromaticContact CE1-CE1 3.79Å; H82-H179 AromaticContact ND1-CE1 3.2Å; H82-H179 PolarHBondContact ND1-CE1 3.42Å; H82-H179 AromaticContact ND1-NE2 3.83Å
83	A	98.7	Very high	98.5	Very high	7 Å²	7	9.2 Å²	9.2	6%	0.058	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-62.7	-26.9	-169.6	0	0	0	0	0	113.9	L42 V59 P80 F85 V86 A94	L42-A83 HydrophobicContact CD2-CB 3.44Å; L42-A83 VanDerWaalsContact CD2-CB 3.44Å; V59-A83 HydrophobicContact CB-CB 4.14Å; V59-A83 HydrophobicContact CG1-CB 4.23Å; V59-A83 HydrophobicContact CG2-CB 4.22Å; P80-A83 PolarHBondContact O-N 3.49Å; A83-F85 PolarHBondContact O-N 2.93Å; A83-V86 WeakPolarHBondContact O-CB 3.31Å; A83-V86 PolarHBondContact O-N 3.13Å; A83-A94 HydrophobicContact CB-CB 4.01Å
84	G	98.7	Very high	98.5	Very high	3 Å²	3	9.2 Å²	9.2	3%	0.031	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-71.1	-13.6	174.3	0	0	0	0	0	114.4	P80 H82 I348 A349	P80-G84 PolarHBondContact O-N 3.48Å; H82-G84 PolarHBondContact O-N 3.04Å; H82-G84 VanDerWaalsContact O-N 3.17Å; G84-I348 PolarHBondContact O-N 3.39Å; G84-I348 VanDerWaalsContact O-N 3.12Å; G84-A349 WeakPolarHBondContact O-CB 3.17Å; G84-A349 PolarHBondContact O-N 3.49Å
85	F	98.8	Very high	98.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-101.3	9.4	176.3	-53.8	-60.2	0	0	0	113	P80 S81 H82 A83 M90 L91 V176 Y317 A349 W350	P80-F85 HydrophobicContact CG-CE2 4.44Å; P80-F85 HydrophobicContact CG-CZ 4.04Å; S81-F85 WeakPolarHBondContact OG-CE2 3.39Å; H82-F85 PolarHBondContact O-N 3.05Å; A83-F85 PolarHBondContact O-N 2.93Å; F85-M90 HydrophobicContact CB-CE 3.94Å; F85-M90 HydrophobicContact CB-SD 4.24Å; F85-M90 HydrophobicContact CD1-CE 3.77Å; F85-M90 HydrophobicContact CD1-SD 4.08Å; F85-M90 HydrophobicContact CG-CE 4.01Å; F85-M90 WeakPolarHBondContact O-CB 3.36Å; F85-L91 HydrophobicContact CB-CD1 4.23Å; F85-L91 WeakPolarHBondContact O-CB 3.23Å; F85-L91 PolarHBondContact O-N 3.42Å; F85-V176 HydrophobicContact CD1-CG1 4.33Å; F85-V176 HydrophobicContact CD2-CG1 4.39Å; F85-V176 HydrophobicContact CE1-CG1 3.78Å; F85-V176 HydrophobicContact CE2-CB 4.44Å; F85-V176 HydrophobicContact CE2-CG1 3.85Å; F85-V176 HydrophobicContact CE2-CG2 3.79Å; F85-V176 HydrophobicContact CZ-CB 4.48Å; F85-V176 HydrophobicContact CZ-CG1 3.52Å; F85-V176 HydrophobicContact CZ-CG2 4.07Å; F85-Y317 HydrophobicContact CE1-CD1 4.12Å; F85-Y317 WeakPolarHBondContact CE2-O 3.36Å; F85-Y317 HydrophobicContact CZ-CD1 4.05Å; F85-A349 HydrophobicContact CD1-CB 4.24Å; F85-A349 HydrophobicContact CE1-CB 3.84Å; F85-A349 HydrophobicContact CZ-CB 4.31Å; F85-W350 HydrophobicContact CD1-CB 4.2Å; F85-W350 HydrophobicContact CE1-CB 4.37Å; F85-W350 HydrophobicContact CE1-CE3 4.43Å
86	V	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-78.9	127.9	172.2	177.5	0	0	0	0	109.3	V50 A60 R61 A83 L91 A94	V50-V86 HydrophobicContact CG1-CB 3.89Å; V50-V86 HydrophobicContact CG1-CG1 3.83Å; A60-V86 VanDerWaalsContact C-CG1 3.46Å; R61-V86 HydrophobicContact CB-CG1 3.78Å; A83-V86 WeakPolarHBondContact O-CB 3.31Å; A83-V86 PolarHBondContact O-N 3.13Å; V86-L91 CarbonylContact C-O 3.51Å; V86-L91 WeakPolarHBondContact CA-O 3.2Å; V86-L91 HydrophobicContact CG2-CB 4.05Å; V86-A94 HydrophobicContact CG2-CB 3.59Å
87	G	98.6	Very high	98.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.053	C	C	.	.	S	Bend	trans	144.2	-171.6	-179	0	0	0	0	0	114	R61 G89 M90 L91 H346	R61-G87 PolarHBondContact NH1-O 3.17Å; G87-G89 PolarHBondContact O-N 2.99Å; G87-M90 PolarHBondContact O-N 2.93Å; G87-L91 PolarHBondContact N-O 2.91Å; G87-H346 CarbonylContact C-O 3.25Å; G87-H346 VanDerWaalsContact CA-O 3.32Å; G87-H346 WeakPolarHBondContact CA-O 3.3Å
88	D	98.1	Very high	98.6	Very high	44 Å²	44	12.9 Å²	12.9	24%	0.235	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-64.3	131	-175.5	-174.2	55	0	0	0	113.3	R61 M90 R187 V345 H346	R61-D88 IonicContact CZ-OD1 3.72Å; R61-D88 VanDerWaalsContact NH2-CA 3.26Å; R61-D88 IonicContact NH2-OD1 2.73Å; R61-D88 PolarHBondContact NH2-OD1 3.07Å; R61-D88 VanDerWaalsContact NH2-OD1 3.08Å; D88-M90 VanDerWaalsContact C-N 3.32Å; D88-R187 IonicContact OD2-NH1 3.77Å; D88-R187 PolarHBondContact OD2-NH1 3Å; D88-V345 WeakPolarHBondContact O-CA 3.31Å; D88-V345 WeakPolarHBondContact O-CB 3.24Å; D88-H346 HydrophobicContact CB-CB 3.9Å; D88-H346 PolarHBondContact N-O 3.39Å; D88-H346 VanDerWaalsContact N-O 3.12Å; D88-H346 PolarHBondContact O-N 3.33Å
89	G	98.1	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	5.3	-178.6	0	0	0	0	0	115.6	G87 G183	G87-G89 PolarHBondContact O-N 2.99Å; G89-G183 CarbonylContact O-C 3.55Å; G89-G183 WeakPolarHBondContact O-CA 3.37Å
90	M	98.8	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-138.8	-126.1	172.6	-62.4	-172.8	81	0	0	110.6	F85 G87 D88 H179 K180 V345 T347 W350	F85-M90 HydrophobicContact CB-CE 3.94Å; F85-M90 HydrophobicContact CB-SD 4.24Å; F85-M90 HydrophobicContact CD1-CE 3.77Å; F85-M90 HydrophobicContact CD1-SD 4.08Å; F85-M90 HydrophobicContact CG-CE 4.01Å; F85-M90 WeakPolarHBondContact O-CB 3.36Å; G87-M90 PolarHBondContact O-N 2.93Å; D88-M90 VanDerWaalsContact C-N 3.32Å; M90-H179 HydrophobicContact CE-CB 3.74Å; M90-K180 HydrophobicContact CE-CB 3.87Å; M90-K180 HydrophobicContact CE-CD 4.15Å; M90-K180 HydrophobicContact CG-CD 4.02Å; M90-K180 HydrophobicContact SD-CD 3.96Å; M90-V345 HydrophobicContact CG-CB 4.43Å; M90-V345 HydrophobicContact CG-CG1 4.03Å; M90-V345 HydrophobicContact SD-CG2 4.35Å; M90-T347 HydrophobicContact CB-CG2 3.93Å; M90-T347 HydrophobicContact CG-CG2 4.06Å; M90-T347 HydrophobicContact SD-CG2 3.97Å; M90-W350 HydrophobicContact CE-CB 4.37Å; M90-W350 HydrophobicContact CE-CD2 4.27Å; M90-W350 HydrophobicContact CE-CE3 4.12Å; M90-W350 HydrophobicContact CE-CG 4.39Å; M90-W350 HydrophobicContact SD-CB 3.48Å; M90-W350 WeakPolarHBondContact SD-CB 2.81Å; M90-W350 HydrophobicContact SD-CD2 4.2Å; M90-W350 HydrophobicContact SD-CG 3.73Å
91	L	98.9	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-78.3	144.2	-172	-64.4	174.5	0	0	0	112.9	L70 H82 F85 V86 G87 I124 H179	L70-L91 HydrophobicContact CB-CD2 4.04Å; H82-L91 HydrophobicContact CB-CD1 3.92Å; F85-L91 HydrophobicContact CB-CD1 4.23Å; F85-L91 WeakPolarHBondContact O-CB 3.23Å; F85-L91 PolarHBondContact O-N 3.42Å; V86-L91 CarbonylContact C-O 3.51Å; V86-L91 WeakPolarHBondContact CA-O 3.2Å; V86-L91 HydrophobicContact CG2-CB 4.05Å; G87-L91 PolarHBondContact N-O 2.91Å; L91-I124 HydrophobicContact CD2-CD1 4.3Å; L91-H179 HydrophobicContact CD2-CB 4.47Å; L91-H179 HydrophobicContact CG-CB 4.39Å
92	S	98.9	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-79.2	-37.7	167	-61	0	0	0	0	112	A60 R61 Y65 A69 L70	A60-S92 WeakPolarHBondContact CA-O 3.01Å; R61-S92 PolarHBondContact N-O 2.85Å; Y65-S92 WeakPolarHBondContact OH-CB 3.49Å; Y65-S92 PolarHBondContact OH-OG 2.76Å; A69-S92 WeakPolarHBondContact CA-OG 3.22Å; L70-S92 PolarHBondContact N-OG 3.45Å; L70-S92 WeakPolarHBondContact O-CA 3.45Å; L70-S92 WeakPolarHBondContact O-CB 3.47Å; L70-S92 PolarHBondContact O-N 3.39Å
93	A	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.3	172.5	0	0	0	0	0	113.3	V58 V59 A60 L70 S72 A111 T115	V58-A93 HydrophobicContact CG1-CB 3.92Å; V59-A93 CarbonylContact O-C 3.56Å; V59-A93 WeakPolarHBondContact O-CA 3.41Å; V59-A93 WeakPolarHBondContact O-CB 3.33Å; A60-A93 HydrophobicContact CB-CB 4.09Å; L70-A93 PolarHBondContact O-N 3.48Å; S72-A93 PolarHBondContact N-O 2.79Å; S72-A93 VanDerWaalsContact N-O 3.08Å; A93-A111 HydrophobicContact CB-CB 4.39Å; A93-T115 HydrophobicContact CB-CG2 3.61Å
94	A	98.9	Very high	98.3	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.4	170.1	0	0	0	0	0	109.9	V59 S72 H82 A83 V86	V59-A94 PolarHBondContact N-O 3.05Å; V59-A94 PolarHBondContact O-N 2.91Å; S72-A94 CarbonylContact O-C 3.55Å; S72-A94 VanDerWaalsContact O-CA 3.25Å; S72-A94 WeakPolarHBondContact O-CA 3.38Å; H82-A94 HydrophobicContact CB-CB 3.83Å; A83-A94 HydrophobicContact CB-CB 4.01Å; V86-A94 HydrophobicContact CG2-CB 3.59Å
95	V	98.9	Very high	98.3	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.8	178.3	-165.6	0	0	0	0	109	V58 V71 S72 G73 G74 G97 P103 Q107 I108 A111	V58-V95 HydrophobicContact CG2-CG1 4.11Å; V58-V95 HydrophobicContact CG2-CG2 4.4Å; V71-V95 HydrophobicContact CG1-CG2 3.91Å; S72-V95 PolarHBondContact O-N 3.01Å; G73-V95 WeakPolarHBondContact CA-O 3.37Å; G74-V95 PolarHBondContact N-O 3.48Å; V95-G97 PolarHBondContact O-N 3.24Å; V95-P103 HydrophobicContact CB-CB 4.25Å; V95-P103 HydrophobicContact CB-CG 3.99Å; V95-P103 HydrophobicContact CG1-CB 3.42Å; V95-P103 VanDerWaalsContact CG1-CB 3.42Å; V95-P103 HydrophobicContact CG1-CG 3.69Å; V95-Q107 HydrophobicContact CG1-CB 3.79Å; V95-I108 HydrophobicContact CB-CG1 4.37Å; V95-I108 HydrophobicContact CG1-CG1 4.03Å; V95-I108 HydrophobicContact CG2-CG1 4.29Å; V95-A111 HydrophobicContact CG2-CB 3.56Å
96	C	98.7	Very high	98.3	Very high	12 Å²	12	24 Å²	24	8%	0.081	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.9	-177.5	-54.1	0	0	0	0	110.1	V35 M38 V39 L57	V35-C96 HydrophobicContact CG1-CB 4.06Å; M38-C96 HydrophobicContact CE-CB 4.43Å; V39-C96 HydrophobicContact CG2-CB 4.06Å; L57-C96 HydrophobicContact CB-CB 4.25Å; L57-C96 VanDerWaalsContact CB-O 3.24Å; L57-C96 WeakPolarHBondContact CB-O 3.43Å; L57-C96 WeakPolarHBondContact O-CB 3.4Å; L57-C96 PolarHBondContact O-N 2.65Å; L57-C96 VanDerWaalsContact O-N 3.09Å
97	G	98.5	Very high	98.3	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	174.9	169	0	0	0	0	0	112.1	G74 S76 V95 T101	G74-G97 WeakPolarHBondContact O-CA 3.49Å; G74-G97 PolarHBondContact O-N 3.07Å; S76-G97 WeakPolarHBondContact CB-O 3.47Å; S76-G97 PolarHBondContact N-O 2.75Å; S76-G97 VanDerWaalsContact N-O 3.13Å; S76-G97 PolarHBondContact OG-O 3.01Å; V95-G97 PolarHBondContact O-N 3.24Å; G97-T101 CarbonylContact C-O 3.57Å; G97-T101 WeakPolarHBondContact CA-O 3.39Å
98	Q	97.9	Very high	98.3	Very high	78 Å²	78	26 Å²	26	36%	0.364	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	165.6	172.6	-62	-57.9	-32.9	0	0	111	G75 S76 F100 T101	G75-Q98 CarbonylContact C-O 3.48Å; G75-Q98 WeakPolarHBondContact CA-O 3.28Å; S76-Q98 PolarHBondContact N-O 2.78Å; S76-Q98 VanDerWaalsContact N-O 3.11Å; Q98-F100 PolarHBondContact O-N 3.39Å; Q98-T101 PolarHBondContact N-O 3.38Å; Q98-T101 PolarHBondContact O-N 2.86Å
99	V	97.6	Very high	98.4	Very high	22 Å²	22	25 Å²	25	13%	0.133	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	121	-176.7	-179.1	0	0	0	0	110.6	V34 V35 S76 T101 V218 L321	V34-V99 HydrophobicContact CG1-CG2 4.36Å; V35-V99 HydrophobicContact CG2-CG2 4.18Å; S76-V99 CarbonylContact O-C 3.32Å; S76-V99 WeakPolarHBondContact O-CA 3.3Å; V99-T101 PolarHBondContact O-N 2.56Å; V99-T101 PolarHBondContact O-OG1 2.75Å; V99-V218 HydrophobicContact CB-CG1 4.38Å; V99-V218 HydrophobicContact CG1-CG1 4Å; V99-V218 HydrophobicContact CG1-CG2 4.42Å; V99-L321 HydrophobicContact CG1-CD1 3.99Å
100	F	96.2	Very high	98.4	Very high	36 Å²	36	28.2 Å²	28.2	16%	0.158	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	23.7	-174.8	-57	-22.3	0	0	0	115.5	S76 H78 Q98 A216 V218 H240 S320 L321	S76-F100 WeakPolarHBondContact O-CD1 3.25Å; S76-F100 PolarHBondContact O-N 3.02Å; H78-F100 AromaticContact CE1-CD1 3.54Å; H78-F100 AromaticContact CE1-CE1 3.35Å; H78-F100 WeakPolarHBondContact CE1-CE1 3.31Å; H78-F100 AromaticContact ND1-CE1 3.98Å; H78-F100 AromaticContact NE2-CD1 3.57Å; H78-F100 AromaticContact NE2-CE1 3.85Å; Q98-F100 PolarHBondContact O-N 3.39Å; F100-A216 HydrophobicContact CE2-CB 4.44Å; F100-A216 HydrophobicContact CZ-CB 4.35Å; F100-V218 HydrophobicContact CD2-CG2 3.6Å; F100-V218 HydrophobicContact CE2-CG2 3.77Å; F100-H240 HydrophobicContact CB-CB 4.28Å; F100-H240 AromaticContact CD1-CD2 3.65Å; F100-H240 HydrophobicContact CD2-CB 4.27Å; F100-H240 HydrophobicContact CG-CB 4.18Å; F100-H240 AromaticContact CG-CD2 3.78Å; F100-S320 VanDerWaalsContact CZ-OG 3.25Å; F100-S320 WeakPolarHBondContact CZ-OG 3.37Å; F100-L321 HydrophobicContact CE1-CD1 4.38Å; F100-L321 HydrophobicContact CE1-CG 4.26Å; F100-L321 HydrophobicContact CE2-CD1 4.12Å; F100-L321 HydrophobicContact CZ-CD1 3.77Å; F100-L321 HydrophobicContact CZ-CG 3.93Å
101	T	96.7	Very high	98.4	Very high	80 Å²	80	28.2 Å²	28.2	49%	0.491	15%	0.154	S	C	.	.	S	Bend	trans	-128.7	126.7	-178.9	-57	0	0	0	0	110.1	G75 G97 Q98 V99	G75-T101 WeakPolarHBondContact CA-O 3.11Å; G75-T101 PolarHBondContact N-O 3.41Å; G97-T101 CarbonylContact C-O 3.57Å; G97-T101 WeakPolarHBondContact CA-O 3.39Å; Q98-T101 PolarHBondContact N-O 3.38Å; Q98-T101 PolarHBondContact O-N 2.86Å; V99-T101 PolarHBondContact O-N 2.56Å; V99-T101 PolarHBondContact O-OG1 2.75Å
102	S	97.8	Very high	98.4	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.154	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-53.9	142.7	-178.6	-165	0	0	0	0	113.1	G130 D131 N134	S102-G130 PolarHBondContact OG-O 3.29Å; S102-D131 WeakPolarHBondContact CB-OD1 3.45Å; S102-D131 VanDerWaalsContact OG-CA 3.29Å; S102-D131 WeakPolarHBondContact OG-CA 3.36Å; S102-D131 PolarHBondContact OG-N 2.89Å; S102-D131 PolarHBondContact OG-OD1 3.24Å; S102-N134 PolarHBondContact OG-ND2 2.98Å
103	P	98.6	Very high	98.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.032	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-63.2	157.3	170.2	28.3	-35.8	0	0	0	111.4	G74 V95 Q107 I108 N134 F135	G74-P103 VanDerWaalsContact CA-CD 3.49Å; V95-P103 HydrophobicContact CB-CB 4.25Å; V95-P103 HydrophobicContact CB-CG 3.99Å; V95-P103 HydrophobicContact CG1-CB 3.42Å; V95-P103 VanDerWaalsContact CG1-CB 3.42Å; V95-P103 HydrophobicContact CG1-CG 3.69Å; P103-Q107 HydrophobicContact CB-CB 4.46Å; P103-I108 HydrophobicContact CB-CG1 4.36Å; P103-I108 HydrophobicContact CG-CD1 4.13Å; P103-I108 HydrophobicContact CG-CG1 3.97Å; P103-N134 WeakPolarHBondContact O-CB 3.3Å; P103-N134 PolarHBondContact O-ND2 3.3Å; P103-F135 HydrophobicContact CG-CE2 4.22Å
104	T	98.6	Very high	98.4	Very high	70 Å²	70	34.9 Å²	34.9	43%	0.429	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-72.7	155.5	178.6	64.2	0	0	0	0	111.6	D106 Q107 I108	T104-D106 PolarHBondContact O-N 2.98Å; T104-Q107 PolarHBondContact O-N 2.8Å; T104-Q107 VanDerWaalsContact O-N 3.12Å; T104-Q107 VanDerWaalsContact OG1-CG 3.3Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.36Å; T104-Q107 PolarHBondContact OG1-N 3.05Å; T104-I108 WeakPolarHBondContact O-CG1 3.44Å; T104-I108 PolarHBondContact O-N 3.38Å
105	P	98.7	Very high	98.4	Very high	23 Å²	23	34.9 Å²	34.9	15%	0.149	19%	0.191	C	C	.	.	H	α-helix	trans	-52.6	-39.8	174.3	-27	34.5	0	0	0	113.3	Q107 I108 H109 N134 M137 L141	P105-Q107 PolarHBondContact O-N 3.41Å; P105-I108 PolarHBondContact O-N 2.74Å; P105-H109 WeakPolarHBondContact O-CB 3.42Å; P105-H109 PolarHBondContact O-N 2.77Å; P105-N134 HydrophobicContact CG-CB 4.13Å; P105-M137 HydrophobicContact CB-CB 3.83Å; P105-M137 HydrophobicContact CG-CB 3.77Å; P105-M137 HydrophobicContact CG-CG 4.47Å; P105-M137 HydrophobicContact CG-SD 3.95Å; P105-L141 HydrophobicContact CB-CD1 4.38Å
106	D	98.7	Very high	98.3	Very high	107 Å²	107	36.6 Å²	36.6	57%	0.572	20%	0.2	S	C	*	.	H	α-helix	trans	-62.4	-40.6	179.5	-58.5	-37.9	0	0	0	112.2	T104 I108 H109 E110	T104-D106 PolarHBondContact O-N 2.98Å; D106-I108 VanDerWaalsContact C-N 3.33Å; D106-H109 PolarHBondContact O-N 3.41Å; D106-E110 WeakPolarHBondContact O-CG 3.26Å; D106-E110 PolarHBondContact O-N 3.4Å
107	Q	98.7	Very high	98.3	Very high	43 Å²	43	40.4 Å²	40.4	20%	0.201	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-37.2	177.4	-67.4	-73.4	-59.1	0	0	111.5	T56 V58 V95 P103 T104 P105 A111	T56-Q107 VanDerWaalsContact CA-OE1 3.29Å; V58-Q107 VanDerWaalsContact CG2-O 3.26Å; V58-Q107 WeakPolarHBondContact CG2-O 3.39Å; V95-Q107 HydrophobicContact CG1-CB 3.79Å; P103-Q107 HydrophobicContact CB-CB 4.46Å; T104-Q107 PolarHBondContact O-N 2.8Å; T104-Q107 VanDerWaalsContact O-N 3.12Å; T104-Q107 VanDerWaalsContact OG1-CG 3.3Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.36Å; T104-Q107 PolarHBondContact OG1-N 3.05Å; P105-Q107 PolarHBondContact O-N 3.41Å; Q107-A111 PolarHBondContact O-N 2.88Å; Q107-A111 VanDerWaalsContact O-N 3.15Å
108	I	98.9	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-42.7	176.6	-58.4	157.6	0	0	0	110.2	V95 P103 T104 P105 D106 E110 A111 I112 M123 N134 F135 A138	V95-I108 HydrophobicContact CB-CG1 4.37Å; V95-I108 HydrophobicContact CG1-CG1 4.03Å; V95-I108 HydrophobicContact CG2-CG1 4.29Å; P103-I108 HydrophobicContact CB-CG1 4.36Å; P103-I108 HydrophobicContact CG-CD1 4.13Å; P103-I108 HydrophobicContact CG-CG1 3.97Å; T104-I108 WeakPolarHBondContact O-CG1 3.44Å; T104-I108 PolarHBondContact O-N 3.38Å; P105-I108 PolarHBondContact O-N 2.74Å; D106-I108 VanDerWaalsContact C-N 3.33Å; I108-E110 PolarHBondContact O-N 2.79Å; I108-A111 VanDerWaalsContact O-CB 3.32Å; I108-A111 WeakPolarHBondContact O-CB 3.42Å; I108-A111 PolarHBondContact O-N 3.13Å; I108-A111 VanDerWaalsContact O-N 3.13Å; I108-I112 HydrophobicContact CG2-CD1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.16Å; I108-I112 PolarHBondContact O-N 3.34Å; I108-M123 HydrophobicContact CG2-SD 4.11Å; I108-N134 HydrophobicContact CD1-CB 3.88Å; I108-F135 HydrophobicContact CD1-CD1 4.38Å; I108-F135 HydrophobicContact CD1-CD2 3.4Å; I108-F135 HydrophobicContact CD1-CE1 4.49Å; I108-F135 HydrophobicContact CD1-CE2 3.53Å; I108-F135 HydrophobicContact CD1-CG 3.87Å; I108-F135 HydrophobicContact CD1-CZ 4.08Å; I108-F135 HydrophobicContact CG1-CD2 4.25Å; I108-F135 HydrophobicContact CG1-CE1 4.42Å; I108-F135 HydrophobicContact CG1-CE2 3.96Å; I108-F135 HydrophobicContact CG1-CZ 4.04Å; I108-F135 HydrophobicContact CG2-CD1 3.84Å; I108-F135 HydrophobicContact CG2-CE1 3.82Å; I108-F135 HydrophobicContact CG2-CG 4.32Å; I108-F135 HydrophobicContact CG2-CZ 4.28Å; I108-A138 HydrophobicContact CB-CB 3.56Å; I108-A138 HydrophobicContact CD1-CB 4.4Å; I108-A138 HydrophobicContact CG2-CB 3.42Å; I108-A138 VanDerWaalsContact CG2-CB 3.42Å
109	H	98.8	Very high	98.3	Very high	22 Å²	22	44.2 Å²	44.2	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-42.6	176.5	179.5	-141.3	0	0	0	112.2	P105 D106 A111 I112 K113 L141 D145	P105-H109 WeakPolarHBondContact O-CB 3.42Å; P105-H109 PolarHBondContact O-N 2.77Å; D106-H109 PolarHBondContact O-N 3.41Å; H109-A111 VanDerWaalsContact C-N 3.29Å; H109-A111 PolarHBondContact O-N 3.01Å; H109-I112 WeakPolarHBondContact O-CB 3.21Å; H109-I112 PolarHBondContact O-N 2.9Å; H109-K113 WeakPolarHBondContact NE2-CD 3.26Å; H109-K113 PolarHBondContact O-N 3.48Å; H109-L141 HydrophobicContact CB-CB 4.34Å; H109-L141 HydrophobicContact CB-CD1 4.2Å; H109-D145 IonicContact CE1-OD2 3.11Å; H109-D145 PolarHBondContact CE1-OD2 3.48Å; H109-D145 IonicContact NE2-OD2 2.76Å; H109-D145 PolarHBondContact NE2-OD2 2.85Å
110	E	98.8	Very high	98.3	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-34.1	173.6	-72.9	-56.8	127.5	0	0	112.4	T56 D106 I108 K113 A114	T56-E110 HydrophobicContact CG2-CB 4.05Å; T56-E110 HydrophobicContact CG2-CG 4.4Å; D106-E110 WeakPolarHBondContact O-CG 3.26Å; D106-E110 PolarHBondContact O-N 3.4Å; I108-E110 PolarHBondContact O-N 2.79Å; E110-K113 IonicContact OE1-NZ 3.13Å; E110-K113 PolarHBondContact OE1-NZ 3.4Å; E110-K113 IonicContact OE2-NZ 3.68Å; E110-A114 WeakPolarHBondContact O-CB 3.26Å; E110-A114 PolarHBondContact O-N 2.87Å
111	A	98.9	Very high	98.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-43.6	172.7	0	0	0	0	0	112.4	V58 V71 A93 V95 Q107 I108 H109 A114 T115	V58-A111 HydrophobicContact CB-CB 4.3Å; V58-A111 HydrophobicContact CG1-CB 3.47Å; V58-A111 VanDerWaalsContact CG1-CB 3.47Å; V58-A111 HydrophobicContact CG2-CB 3.8Å; V71-A111 HydrophobicContact CG1-CB 4.1Å; A93-A111 HydrophobicContact CB-CB 4.39Å; V95-A111 HydrophobicContact CG2-CB 3.56Å; Q107-A111 PolarHBondContact O-N 2.88Å; Q107-A111 VanDerWaalsContact O-N 3.15Å; I108-A111 VanDerWaalsContact O-CB 3.32Å; I108-A111 WeakPolarHBondContact O-CB 3.42Å; I108-A111 PolarHBondContact O-N 3.13Å; I108-A111 VanDerWaalsContact O-N 3.13Å; H109-A111 VanDerWaalsContact C-N 3.29Å; H109-A111 PolarHBondContact O-N 3.01Å; A111-A114 PolarHBondContact O-N 2.86Å; A111-T115 WeakPolarHBondContact O-CB 3.29Å; A111-T115 WeakPolarHBondContact O-CG2 3.46Å; A111-T115 PolarHBondContact O-N 3.06Å; A111-T115 VanDerWaalsContact O-N 3.13Å; A111-T115 PolarHBondContact O-OG1 3.05Å
112	I	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-52.1	175.8	-65.1	166.1	0	0	0	109.6	I108 H109 A114 T115 D116 T121 M123 A138 A142 I147 V149	I108-I112 HydrophobicContact CG2-CD1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.16Å; I108-I112 PolarHBondContact O-N 3.34Å; H109-I112 WeakPolarHBondContact O-CB 3.21Å; H109-I112 PolarHBondContact O-N 2.9Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 3.49Å; I112-T115 PolarHBondContact O-N 3.24Å; I112-T115 PolarHBondContact O-OG1 3.03Å; I112-D116 PolarHBondContact O-N 3.2Å; I112-T121 HydrophobicContact CG1-CG2 4.13Å; I112-T121 HydrophobicContact CG2-CG2 4.43Å; I112-M123 HydrophobicContact CD1-SD 3.8Å; I112-A138 HydrophobicContact CD1-CB 4.4Å; I112-A142 HydrophobicContact CD1-CB 3.94Å; I112-A142 HydrophobicContact CG2-CB 3.83Å; I112-I147 HydrophobicContact CG2-CD1 4Å; I112-I147 HydrophobicContact CG2-CG2 3.98Å; I112-V149 HydrophobicContact CG2-CG2 4.09Å
113	K	98.6	Very high	98.6	Very high	92 Å²	92	36.9 Å²	36.9	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-37.9	179.3	-74.6	169.5	55.5	-164.8	0	113.4	H109 E110 T115 I147	H109-K113 WeakPolarHBondContact NE2-CD 3.26Å; H109-K113 PolarHBondContact O-N 3.48Å; E110-K113 IonicContact OE1-NZ 3.13Å; E110-K113 PolarHBondContact OE1-NZ 3.4Å; E110-K113 IonicContact OE2-NZ 3.68Å; K113-T115 VanDerWaalsContact C-N 3.28Å; K113-T115 PolarHBondContact O-N 3.47Å; K113-I147 HydrophobicContact CG-CD1 4.08Å
114	A	98.4	Very high	98.6	Very high	47 Å²	47	36.6 Å²	36.6	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-72.5	-22.1	-179.6	0	0	0	0	0	113.1	V53 E110 A111 I112	V53-A114 HydrophobicContact CB-CB 4.48Å; V53-A114 HydrophobicContact CG1-CB 3.96Å; V53-A114 HydrophobicContact CG2-CB 3.65Å; E110-A114 WeakPolarHBondContact O-CB 3.26Å; E110-A114 PolarHBondContact O-N 2.87Å; A111-A114 PolarHBondContact O-N 2.86Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 3.49Å
115	T	98.6	Very high	98.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-112.9	-22.7	-172.4	57.4	0	0	0	0	114.8	A60 Y65 A69 A93 A111 I112 K113 K117	A60-T115 HydrophobicContact CB-CG2 4.22Å; Y65-T115 WeakPolarHBondContact OH-CA 3.27Å; Y65-T115 VanDerWaalsContact OH-CB 3.25Å; Y65-T115 WeakPolarHBondContact OH-CB 3.3Å; Y65-T115 PolarHBondContact OH-O 3.41Å; A69-T115 WeakPolarHBondContact CB-O 3.1Å; A93-T115 HydrophobicContact CB-CG2 3.61Å; A111-T115 WeakPolarHBondContact O-CB 3.29Å; A111-T115 WeakPolarHBondContact O-CG2 3.46Å; A111-T115 PolarHBondContact O-N 3.06Å; A111-T115 VanDerWaalsContact O-N 3.13Å; A111-T115 PolarHBondContact O-OG1 3.05Å; I112-T115 PolarHBondContact O-N 3.24Å; I112-T115 PolarHBondContact O-OG1 3.03Å; K113-T115 VanDerWaalsContact C-N 3.28Å; K113-T115 PolarHBondContact O-N 3.47Å; T115-K117 PolarHBondContact O-N 3.33Å
116	D	98.2	Very high	98.6	Very high	37 Å²	37	32.5 Å²	32.5	20%	0.198	18%	0.18	C	C	.	.			trans	-63.8	133.2	175.2	178.6	46.4	0	0	0	111.3	I112 G118 K119 G120 I147	I112-D116 PolarHBondContact O-N 3.2Å; D116-G118 PolarHBondContact OD1-N 3.07Å; D116-G118 VanDerWaalsContact OD1-N 3.08Å; D116-G118 PolarHBondContact OD2-N 3.06Å; D116-K119 PolarHBondContact OD1-N 2.9Å; D116-K119 VanDerWaalsContact OD1-N 3.14Å; D116-G120 WeakPolarHBondContact OD1-CA 3.36Å; D116-G120 PolarHBondContact OD1-N 3.22Å; D116-I147 HydrophobicContact CB-CD1 4.49Å; D116-I147 HydrophobicContact CB-CG2 4.07Å
117	K	97.2	Very high	98.5	Very high	92 Å²	92	28 Å²	28	40%	0.4	16%	0.156	S	C	.	.			trans	-114	25.7	178	-59.3	-58.3	-166.7	-178.7	0	111.5	D64 Y65 T115 K119	D64-K117 IonicContact OD1-NZ 3.25Å; Y65-K117 HydrophobicContact CD2-CG 4.2Å; Y65-K117 HydrophobicContact CE2-CG 3.82Å; T115-K117 PolarHBondContact O-N 3.33Å; K117-K119 VanDerWaalsContact C-N 3.31Å
118	G	97.9	Very high	98.4	Very high	67 Å²	67	26.3 Å²	26.3	69%	0.691	15%	0.148	S	C	*	.	S	Bend	trans	75.1	21.9	-172.6	0	0	0	0	0	113.2	D116	D116-G118 PolarHBondContact OD1-N 3.07Å; D116-G118 VanDerWaalsContact OD1-N 3.08Å; D116-G118 PolarHBondContact OD2-N 3.06Å
119	K	98.5	Very high	98.2	Very high	93 Å²	93	29 Å²	29	40%	0.404	17%	0.166	S	C	.	.	S	Bend	trans	-113.3	-3.8	176.1	-60.2	-61.8	-174.7	178.4	0	112.3	D66 Q67 V68 D116 K117	D66-K119 WeakPolarHBondContact OD1-CE 3.41Å; D66-K119 IonicContact OD1-NZ 3.6Å; D66-K119 IonicContact OD2-NZ 3.9Å; Q67-K119 WeakPolarHBondContact O-CB 3.09Å; V68-K119 HydrophobicContact CG2-CB 4.5Å; V68-K119 WeakPolarHBondContact CG2-O 3.19Å; D116-K119 PolarHBondContact OD1-N 2.9Å; D116-K119 VanDerWaalsContact OD1-N 3.14Å; K117-K119 VanDerWaalsContact C-N 3.31Å
120	G	98.7	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	18%	0.179	C	C	.	.			trans	84	176.3	-174.1	0	0	0	0	0	112.4	A69 D116 E148	A69-G120 PolarHBondContact N-O 3.01Å; D116-G120 WeakPolarHBondContact OD1-CA 3.36Å; D116-G120 PolarHBondContact OD1-N 3.22Å; G120-E148 CarbonylContact C-O 2.92Å; G120-E148 WeakPolarHBondContact CA-O 3.32Å
121	T	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.8	-177.1	-62.6	0	0	0	0	111	A69 V71 I112 M123 E148 V149 D150	A69-T121 HydrophobicContact CB-CG2 4.39Å; A69-T121 CarbonylContact O-C 3.44Å; A69-T121 VanDerWaalsContact O-CA 3.31Å; A69-T121 WeakPolarHBondContact O-CA 3.42Å; V71-T121 HydrophobicContact CB-CG2 4.11Å; V71-T121 HydrophobicContact CG2-CG2 3.68Å; I112-T121 HydrophobicContact CG1-CG2 4.13Å; I112-T121 HydrophobicContact CG2-CG2 4.43Å; T121-M123 HydrophobicContact CG2-CG 4.3Å; T121-E148 PolarHBondContact N-O 3.36Å; T121-V149 VanDerWaalsContact O-CA 3.29Å; T121-V149 WeakPolarHBondContact O-CA 3.08Å; T121-D150 PolarHBondContact O-N 3.17Å; T121-D150 VanDerWaalsContact O-N 3.08Å
122	L	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.5	164.8	-171.2	83.9	0	0	0	109.5	V68 A69 L70 V71 D150 V152 I182 V192 L195 A196	V68-L122 HydrophobicContact CG1-CB 4.11Å; A69-L122 PolarHBondContact O-N 2.87Å; L70-L122 WeakPolarHBondContact CA-O 3.16Å; L70-L122 HydrophobicContact CD2-CB 3.76Å; L70-L122 HydrophobicContact CD2-CD2 4.11Å; V71-L122 PolarHBondContact N-O 2.57Å; L122-D150 WeakPolarHBondContact CA-O 3.19Å; L122-D150 HydrophobicContact CD1-CB 4.27Å; L122-V152 HydrophobicContact CD1-CG2 4.23Å; L122-V152 HydrophobicContact CD2-CG2 3.82Å; L122-V152 HydrophobicContact CG-CG2 4.31Å; L122-I182 HydrophobicContact CD2-CG2 3.52Å; L122-V192 HydrophobicContact CD1-CG1 4.35Å; L122-L195 HydrophobicContact CD1-CB 4.36Å; L122-L195 HydrophobicContact CD2-CB 3.7Å; L122-L195 HydrophobicContact CG-CB 4.47Å; L122-A196 HydrophobicContact CD1-CB 3.64Å
123	M	98.9	Very high	98	Very high	2 Å²	2	34 Å²	34	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.1	175.2	-58.2	-175.3	-56.8	0	0	111.1	V71 I108 I112 T121 V125 F135 K139 V149 D150 S151 V152	V71-M123 HydrophobicContact CB-CG 4.5Å; V71-M123 CarbonylContact O-C 3.57Å; V71-M123 WeakPolarHBondContact O-CA 3.46Å; I108-M123 HydrophobicContact CG2-SD 4.11Å; I112-M123 HydrophobicContact CD1-SD 3.8Å; T121-M123 HydrophobicContact CG2-CG 4.3Å; M123-V125 HydrophobicContact CB-CG2 4Å; M123-F135 HydrophobicContact CB-CD1 3.92Å; M123-F135 HydrophobicContact CB-CE1 4.33Å; M123-F135 HydrophobicContact CE-CB 4.22Å; M123-F135 HydrophobicContact CE-CD1 4.27Å; M123-F135 WeakPolarHBondContact CE-O 3.39Å; M123-F135 HydrophobicContact CG-CD1 4.17Å; M123-F135 HydrophobicContact SD-CB 4.45Å; M123-F135 HydrophobicContact SD-CD1 3.59Å; M123-F135 VanDerWaalsContact SD-CD1 3.59Å; M123-F135 HydrophobicContact SD-CE1 4.33Å; M123-F135 HydrophobicContact SD-CG 4.48Å; M123-K139 HydrophobicContact CE-CB 3.84Å; M123-V149 HydrophobicContact CE-CG1 3.85Å; M123-V149 HydrophobicContact CG-CG1 4.13Å; M123-V149 HydrophobicContact SD-CG1 4.08Å; M123-D150 PolarHBondContact N-O 2.9Å; M123-S151 CarbonylContact O-C 3.6Å; M123-S151 WeakPolarHBondContact O-CA 3.39Å; M123-S151 WeakPolarHBondContact O-CB 3.26Å; M123-V152 PolarHBondContact O-N 3.43Å
124	I	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.9	173.5	-61.4	167.8	0	0	0	107.6	V71 S72 L91 V154 T175 V178 I182	V71-I124 PolarHBondContact O-N 3.04Å; S72-I124 WeakPolarHBondContact CB-O 3.32Å; S72-I124 PolarHBondContact OG-O 2.78Å; L91-I124 HydrophobicContact CD2-CD1 4.3Å; I124-V154 HydrophobicContact CG2-CG2 3.89Å; I124-T175 HydrophobicContact CG2-CG2 3.95Å; I124-V178 HydrophobicContact CD1-CG1 4.23Å; I124-V178 HydrophobicContact CG1-CG1 4.4Å; I124-V178 HydrophobicContact CG2-CB 4.41Å; I124-V178 HydrophobicContact CG2-CG1 3.91Å; I124-I182 HydrophobicContact CD1-CB 4.17Å; I124-I182 HydrophobicContact CD1-CG2 4.16Å
125	V	98.8	Very high	98.1	Very high	5 Å²	5	29 Å²	29	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.3	-167.3	-170.5	0	0	0	0	109.3	M123 D131 V132 F135 V152 L153 V154	M123-V125 HydrophobicContact CB-CG2 4Å; V125-D131 HydrophobicContact CG1-CB 4.03Å; V125-V132 HydrophobicContact CG1-CG2 4.5Å; V125-F135 HydrophobicContact CG1-CB 4.17Å; V125-F135 HydrophobicContact CG1-CD2 4.25Å; V125-F135 HydrophobicContact CG1-CG 4.11Å; V125-F135 HydrophobicContact CG2-CB 3.83Å; V125-F135 HydrophobicContact CG2-CD1 3.59Å; V125-F135 HydrophobicContact CG2-CE1 4.29Å; V125-F135 HydrophobicContact CG2-CG 3.74Å; V125-V152 PolarHBondContact N-O 3.48Å; V125-L153 HydrophobicContact CB-CD1 4.42Å; V125-L153 HydrophobicContact CG1-CD1 4.42Å; V125-L153 CarbonylContact O-C 3.23Å; V125-L153 WeakPolarHBondContact O-CA 3.18Å; V125-V154 PolarHBondContact O-N 3.41Å
126	K	98.2	Very high	98.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.6	170.7	-55.5	-172.9	-48.6	-50	0	108.5	G73 Y128 D131 T175 I239 M318	G73-K126 PolarHBondContact O-NZ 2.74Å; K126-Y128 HydrophobicContact CB-CD2 3.93Å; K126-Y128 HydrophobicContact CB-CE2 4.38Å; K126-Y128 PolarHBondContact O-N 2.65Å; K126-D131 IonicContact NZ-OD2 2.66Å; K126-D131 PolarHBondContact NZ-OD2 2.71Å; K126-T175 HydrophobicContact CG-CG2 4.07Å; K126-I239 HydrophobicContact CD-CD1 4.17Å; K126-M318 HydrophobicContact CD-CE 4.1Å
127	N	97.4	Very high	98.1	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-73.8	77.8	178.6	-169.5	27.2	0	0	0	111.7	L153 V154 D155 T166 Q167 R169	N127-L153 HydrophobicContact CB-CD1 3.77Å; N127-L153 HydrophobicContact CB-CD2 4.27Å; N127-L153 HydrophobicContact CB-CG 3.95Å; N127-V154 WeakPolarHBondContact CB-O 3.38Å; N127-V154 PolarHBondContact N-O 2.97Å; N127-D155 HydrophobicContact CB-CB 3.94Å; N127-T166 WeakPolarHBondContact O-CG2 3.15Å; N127-Q167 PolarHBondContact ND2-O 2.97Å; N127-R169 VanDerWaalsContact CB-O 3.32Å; N127-R169 WeakPolarHBondContact CB-O 3.31Å; N127-R169 PolarHBondContact ND2-O 3.03Å
128	Y	96.4	Very high	98.2	Very high	7 Å²	7	31 Å²	31	3%	0.027	19%	0.189	C	C	.	.			trans	-121.9	135.6	166.1	-76.2	-74.5	0	0	0	108.7	K126 G130 D131 V132 T166 R170 G171 I239 H240 E242	K126-Y128 HydrophobicContact CB-CD2 3.93Å; K126-Y128 HydrophobicContact CB-CE2 4.38Å; K126-Y128 PolarHBondContact O-N 2.65Å; Y128-G130 PolarHBondContact O-N 2.88Å; Y128-G130 VanDerWaalsContact O-N 3.12Å; Y128-D131 WeakPolarHBondContact O-CA 3.48Å; Y128-D131 PolarHBondContact O-N 3.23Å; Y128-V132 WeakPolarHBondContact O-CG2 3.06Å; Y128-V132 PolarHBondContact O-N 3.47Å; Y128-T166 HydrophobicContact CD1-CG2 3.74Å; Y128-T166 HydrophobicContact CE1-CG2 4.02Å; Y128-T166 HydrophobicContact CG-CG2 4.44Å; Y128-R170 HydrophobicContact CE1-CB 4.25Å; Y128-R170 HydrophobicContact CE1-CG 3.86Å; Y128-R170 HydrophobicContact CE2-CB 4.47Å; Y128-R170 WeakPolarHBondContact OH-CD 3.03Å; Y128-G171 VanDerWaalsContact CE2-O 3.25Å; Y128-G171 WeakPolarHBondContact CE2-O 3.37Å; Y128-I239 HydrophobicContact CE2-CD1 3.88Å; Y128-I239 HydrophobicContact CE2-CG1 4.02Å; Y128-I239 VanDerWaalsContact OH-CG1 3.3Å; Y128-I239 WeakPolarHBondContact OH-CG1 3.38Å; Y128-H240 AromaticContact CD1-CE1 3.62Å; Y128-H240 AromaticContact CD1-ND1 3.78Å; Y128-H240 AromaticContact CD2-CE1 3.65Å; Y128-H240 AromaticContact CE1-CE1 3.49Å; Y128-H240 VanDerWaalsContact CE1-CE1 3.49Å; Y128-H240 WeakPolarHBondContact CE1-CE1 3.4Å; Y128-H240 AromaticContact CE1-ND1 3.37Å; Y128-H240 WeakPolarHBondContact CE1-ND1 3.34Å; Y128-H240 AromaticContact CE2-CE1 3.48Å; Y128-H240 VanDerWaalsContact CE2-CE1 3.48Å; Y128-H240 WeakPolarHBondContact CE2-CE1 3.32Å; Y128-H240 AromaticContact CG-CE1 3.7Å; Y128-H240 AromaticContact CZ-CE1 3.41Å; Y128-H240 VanDerWaalsContact CZ-CE1 3.41Å; Y128-H240 AromaticContact CZ-ND1 3.53Å; Y128-E242 WeakPolarHBondContact CE1-OE1 3.32Å
129	S	95.1	Very high	98.2	Very high	55 Å²	55	29.8 Å²	29.8	39%	0.385	16%	0.164	S	C	.	.	H	α-helix	trans	-56.6	-37.2	-171.3	-64.5	0	0	0	0	113.3	M133 Y165	S129-M133 VanDerWaalsContact O-CB 3.24Å; S129-M133 WeakPolarHBondContact O-CB 3.41Å; S129-M133 PolarHBondContact O-N 3.49Å; S129-Y165 WeakPolarHBondContact CB-O 3.48Å; S129-Y165 PolarHBondContact N-O 3.47Å; S129-Y165 PolarHBondContact OG-O 3.44Å; S129-Y165 VanDerWaalsContact OG-O 3.11Å
130	G	96.3	Very high	98.2	Very high	36 Å²	36	29.5 Å²	29.5	37%	0.371	17%	0.167	S	C	.	.	H	α-helix	trans	-66.6	-44.4	174.4	0	0	0	0	0	113.1	S102 Y128 N134	S102-G130 PolarHBondContact OG-O 3.29Å; Y128-G130 PolarHBondContact O-N 2.88Å; Y128-G130 VanDerWaalsContact O-N 3.12Å; G130-N134 WeakPolarHBondContact O-CB 3.33Å; G130-N134 VanDerWaalsContact O-CG 3.28Å; G130-N134 PolarHBondContact O-N 2.69Å; G130-N134 PolarHBondContact O-ND2 3.47Å
131	D	98.3	Very high	98.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-49.7	176.1	-74	-13.3	0	0	0	110.6	G74 S102 V125 K126 Y128 M133 N134 F135	G74-D131 WeakPolarHBondContact CA-OD1 3.12Å; S102-D131 WeakPolarHBondContact CB-OD1 3.45Å; S102-D131 VanDerWaalsContact OG-CA 3.29Å; S102-D131 WeakPolarHBondContact OG-CA 3.36Å; S102-D131 PolarHBondContact OG-N 2.89Å; S102-D131 PolarHBondContact OG-OD1 3.24Å; V125-D131 HydrophobicContact CG1-CB 4.03Å; K126-D131 IonicContact NZ-OD2 2.66Å; K126-D131 PolarHBondContact NZ-OD2 2.71Å; Y128-D131 WeakPolarHBondContact O-CA 3.48Å; Y128-D131 PolarHBondContact O-N 3.23Å; D131-M133 PolarHBondContact O-N 2.91Å; D131-N134 PolarHBondContact O-N 2.76Å; D131-F135 VanDerWaalsContact O-CB 3.32Å; D131-F135 WeakPolarHBondContact O-CB 3.35Å; D131-F135 WeakPolarHBondContact O-CD2 3.46Å; D131-F135 PolarHBondContact O-N 3.09Å
132	V	98.3	Very high	98.2	Very high	51 Å²	51	32 Å²	32	31%	0.309	18%	0.179	S	C	.	.	H	α-helix	trans	-56.9	-51.4	178.9	175.2	0	0	0	0	111	V125 Y128 N134 D136 L153	V125-V132 HydrophobicContact CG1-CG2 4.5Å; Y128-V132 WeakPolarHBondContact O-CG2 3.06Å; Y128-V132 PolarHBondContact O-N 3.47Å; V132-N134 PolarHBondContact O-N 3.07Å; V132-D136 WeakPolarHBondContact O-CB 3.48Å; V132-D136 PolarHBondContact O-N 3.09Å; V132-L153 HydrophobicContact CG2-CD1 3.54Å
133	M	98.4	Very high	98.2	Very high	105 Å²	105	36.5 Å²	36.5	52%	0.517	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-47	-179.3	179	179.1	171.1	0	0	112.1	S129 D131 D136 M137	S129-M133 VanDerWaalsContact O-CB 3.24Å; S129-M133 WeakPolarHBondContact O-CB 3.41Å; S129-M133 PolarHBondContact O-N 3.49Å; D131-M133 PolarHBondContact O-N 2.91Å; M133-D136 PolarHBondContact O-N 3.22Å; M133-M137 HydrophobicContact CE-CE 3.29Å; M133-M137 HydrophobicContact CE-SD 4.26Å; M133-M137 HydrophobicContact CG-CE 3.97Å; M133-M137 HydrophobicContact CG-SD 4.48Å; M133-M137 WeakPolarHBondContact O-CG 3.34Å; M133-M137 PolarHBondContact O-N 3.2Å; M133-M137 VanDerWaalsContact O-N 3.07Å
134	N	98.8	Very high	98.2	Very high	30 Å²	30	44 Å²	44	16%	0.16	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-36.8	-174.2	-70.6	-16.2	0	0	0	112.7	S102 P103 P105 I108 G130 D131 V132 A138	S102-N134 PolarHBondContact OG-ND2 2.98Å; P103-N134 WeakPolarHBondContact O-CB 3.3Å; P103-N134 PolarHBondContact O-ND2 3.3Å; P105-N134 HydrophobicContact CG-CB 4.13Å; I108-N134 HydrophobicContact CD1-CB 3.88Å; G130-N134 WeakPolarHBondContact O-CB 3.33Å; G130-N134 VanDerWaalsContact O-CG 3.28Å; G130-N134 PolarHBondContact O-N 2.69Å; G130-N134 PolarHBondContact O-ND2 3.47Å; D131-N134 PolarHBondContact O-N 2.76Å; V132-N134 PolarHBondContact O-N 3.07Å; N134-A138 WeakPolarHBondContact O-CB 3.4Å; N134-A138 PolarHBondContact O-N 3Å
135	F	98.8	Very high	98.1	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-37.6	174.7	-83.3	-104.1	0	0	0	111.8	P103 I108 M123 V125 D131 A138 K139	P103-F135 HydrophobicContact CG-CE2 4.22Å; I108-F135 HydrophobicContact CD1-CD1 4.38Å; I108-F135 HydrophobicContact CD1-CD2 3.4Å; I108-F135 HydrophobicContact CD1-CE1 4.49Å; I108-F135 HydrophobicContact CD1-CE2 3.53Å; I108-F135 HydrophobicContact CD1-CG 3.87Å; I108-F135 HydrophobicContact CD1-CZ 4.08Å; I108-F135 HydrophobicContact CG1-CD2 4.25Å; I108-F135 HydrophobicContact CG1-CE1 4.42Å; I108-F135 HydrophobicContact CG1-CE2 3.96Å; I108-F135 HydrophobicContact CG1-CZ 4.04Å; I108-F135 HydrophobicContact CG2-CD1 3.84Å; I108-F135 HydrophobicContact CG2-CE1 3.82Å; I108-F135 HydrophobicContact CG2-CG 4.32Å; I108-F135 HydrophobicContact CG2-CZ 4.28Å; M123-F135 HydrophobicContact CB-CD1 3.92Å; M123-F135 HydrophobicContact CB-CE1 4.33Å; M123-F135 HydrophobicContact CE-CB 4.22Å; M123-F135 HydrophobicContact CE-CD1 4.27Å; M123-F135 WeakPolarHBondContact CE-O 3.39Å; M123-F135 HydrophobicContact CG-CD1 4.17Å; M123-F135 HydrophobicContact SD-CB 4.45Å; M123-F135 HydrophobicContact SD-CD1 3.59Å; M123-F135 VanDerWaalsContact SD-CD1 3.59Å; M123-F135 HydrophobicContact SD-CE1 4.33Å; M123-F135 HydrophobicContact SD-CG 4.48Å; V125-F135 HydrophobicContact CG1-CB 4.17Å; V125-F135 HydrophobicContact CG1-CD2 4.25Å; V125-F135 HydrophobicContact CG1-CG 4.11Å; V125-F135 HydrophobicContact CG2-CB 3.83Å; V125-F135 HydrophobicContact CG2-CD1 3.59Å; V125-F135 HydrophobicContact CG2-CE1 4.29Å; V125-F135 HydrophobicContact CG2-CG 3.74Å; D131-F135 VanDerWaalsContact O-CB 3.32Å; D131-F135 WeakPolarHBondContact O-CB 3.35Å; D131-F135 WeakPolarHBondContact O-CD2 3.46Å; D131-F135 PolarHBondContact O-N 3.09Å; F135-A138 PolarHBondContact O-N 3.45Å; F135-K139 PolarHBondContact O-N 2.89Å
136	D	98.6	Very high	98.1	Very high	94 Å²	94	51.3 Å²	51.3	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.5	-166.6	56	0	0	0	111.4	V132 M133 A138 K139 D140	V132-D136 WeakPolarHBondContact O-CB 3.48Å; V132-D136 PolarHBondContact O-N 3.09Å; M133-D136 PolarHBondContact O-N 3.22Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.9Å; D136-K139 VanDerWaalsContact O-CB 3.32Å; D136-K139 WeakPolarHBondContact O-CB 3.1Å; D136-K139 PolarHBondContact O-N 3.17Å; D136-D140 PolarHBondContact O-N 3.44Å; D136-D140 VanDerWaalsContact O-N 3.16Å
137	M	98.8	Very high	98.1	Very high	81 Å²	81	52.3 Å²	52.3	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-38.1	173	-70.9	-179.4	178.5	0	0	113.1	P105 M133 K139 D140 L141	P105-M137 HydrophobicContact CB-CB 3.83Å; P105-M137 HydrophobicContact CG-CB 3.77Å; P105-M137 HydrophobicContact CG-CG 4.47Å; P105-M137 HydrophobicContact CG-SD 3.95Å; M133-M137 HydrophobicContact CE-CE 3.29Å; M133-M137 HydrophobicContact CE-SD 4.26Å; M133-M137 HydrophobicContact CG-CE 3.97Å; M133-M137 HydrophobicContact CG-SD 4.48Å; M133-M137 WeakPolarHBondContact O-CG 3.34Å; M133-M137 PolarHBondContact O-N 3.2Å; M133-M137 VanDerWaalsContact O-N 3.07Å; M137-K139 VanDerWaalsContact C-N 3.32Å; M137-D140 PolarHBondContact O-N 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 2.98Å; M137-L141 VanDerWaalsContact O-N 3.15Å
138	A	98.8	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-31.4	177	0	0	0	0	0	112.6	I108 I112 N134 F135 D136 L141 A142	I108-A138 HydrophobicContact CB-CB 3.56Å; I108-A138 HydrophobicContact CD1-CB 4.4Å; I108-A138 HydrophobicContact CG2-CB 3.42Å; I108-A138 VanDerWaalsContact CG2-CB 3.42Å; I112-A138 HydrophobicContact CD1-CB 4.4Å; N134-A138 WeakPolarHBondContact O-CB 3.4Å; N134-A138 PolarHBondContact O-N 3Å; F135-A138 PolarHBondContact O-N 3.45Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.9Å; A138-L141 PolarHBondContact O-N 3.49Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 3.39Å
139	K	98.7	Very high	98.3	Very high	40 Å²	40	57 Å²	57	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-50.7	170.5	179	175.2	174.7	172	0	110.5	M123 F135 D136 M137 L141 A142 E143 V149 D150	M123-K139 HydrophobicContact CE-CB 3.84Å; F135-K139 PolarHBondContact O-N 2.89Å; D136-K139 VanDerWaalsContact O-CB 3.32Å; D136-K139 WeakPolarHBondContact O-CB 3.1Å; D136-K139 PolarHBondContact O-N 3.17Å; M137-K139 VanDerWaalsContact C-N 3.32Å; K139-L141 VanDerWaalsContact C-N 3.3Å; K139-L141 PolarHBondContact O-N 2.76Å; K139-A142 PolarHBondContact O-N 2.78Å; K139-A142 VanDerWaalsContact O-N 3.15Å; K139-E143 WeakPolarHBondContact CE-OE1 3.28Å; K139-E143 HydrophobicContact CG-CG 4.37Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.46Å; K139-V149 HydrophobicContact CB-CG1 4.32Å; K139-V149 VanDerWaalsContact CE-O 3.22Å; K139-V149 WeakPolarHBondContact CE-O 3.39Å; K139-V149 HydrophobicContact CG-CB 4.18Å; K139-V149 HydrophobicContact CG-CG1 4.06Å; K139-D150 IonicContact NZ-OD1 3.05Å; K139-D150 PolarHBondContact NZ-OD1 2.67Å
140	D	98.7	Very high	98.5	Very high	88 Å²	88	57 Å²	57	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-44.8	177.8	-72.9	-17.3	0	0	0	111.7	D136 M137 E143 M144	D136-D140 PolarHBondContact O-N 3.44Å; D136-D140 VanDerWaalsContact O-N 3.16Å; M137-D140 PolarHBondContact O-N 3.29Å; D140-E143 PolarHBondContact O-N 2.93Å; D140-M144 VanDerWaalsContact O-CG 3.31Å; D140-M144 WeakPolarHBondContact O-CG 3.3Å; D140-M144 PolarHBondContact O-N 3.17Å
141	L	98.8	Very high	98.6	Very high	56 Å²	56	57.6 Å²	57.6	29%	0.293	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-42.5	177.4	-68.4	173.9	0	0	0	112.5	P105 H109 M137 A138 K139 M144 D145	P105-L141 HydrophobicContact CB-CD1 4.38Å; H109-L141 HydrophobicContact CB-CB 4.34Å; H109-L141 HydrophobicContact CB-CD1 4.2Å; M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 2.98Å; M137-L141 VanDerWaalsContact O-N 3.15Å; A138-L141 PolarHBondContact O-N 3.49Å; K139-L141 VanDerWaalsContact C-N 3.3Å; K139-L141 PolarHBondContact O-N 2.76Å; L141-M144 WeakPolarHBondContact O-CB 3.29Å; L141-M144 PolarHBondContact O-N 2.66Å; L141-D145 PolarHBondContact O-N 2.83Å
142	A	98.7	Very high	98.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-37.7	179.1	0	0	0	0	0	112.8	I112 A138 K139 M144 D145 G146 I147 V149	I112-A142 HydrophobicContact CD1-CB 3.94Å; I112-A142 HydrophobicContact CG2-CB 3.83Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 3.39Å; K139-A142 PolarHBondContact O-N 2.78Å; K139-A142 VanDerWaalsContact O-N 3.15Å; A142-M144 VanDerWaalsContact C-N 3.31Å; A142-M144 PolarHBondContact O-N 3.39Å; A142-D145 CarbonylContact O-C 3.57Å; A142-D145 WeakPolarHBondContact O-CB 3.49Å; A142-D145 PolarHBondContact O-N 2.69Å; A142-D145 VanDerWaalsContact O-N 3.12Å; A142-G146 PolarHBondContact O-N 2.77Å; A142-I147 HydrophobicContact CB-CB 4.36Å; A142-I147 WeakPolarHBondContact O-CB 3.31Å; A142-I147 PolarHBondContact O-N 2.86Å; A142-V149 HydrophobicContact CB-CG2 3.57Å
143	E	98.4	Very high	98.6	Very high	94 Å²	94	58.5 Å²	58.5	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-65	-35.2	174.6	-72.9	-177.6	173.3	0	0	111.6	K139 D140 D145 G146	K139-E143 WeakPolarHBondContact CE-OE1 3.28Å; K139-E143 HydrophobicContact CG-CG 4.37Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.46Å; D140-E143 PolarHBondContact O-N 2.93Å; E143-D145 PolarHBondContact O-N 3.49Å; E143-G146 PolarHBondContact O-N 3.27Å
144	M	98.2	Very high	98.6	Very high	159 Å²	159	53.5 Å²	53.5	78%	0.783	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-31	171.9	-72.8	176.9	64.7	0	0	112.9	D140 L141 A142 G146	D140-M144 VanDerWaalsContact O-CG 3.31Å; D140-M144 WeakPolarHBondContact O-CG 3.3Å; D140-M144 PolarHBondContact O-N 3.17Å; L141-M144 WeakPolarHBondContact O-CB 3.29Å; L141-M144 PolarHBondContact O-N 2.66Å; A142-M144 VanDerWaalsContact C-N 3.31Å; A142-M144 PolarHBondContact O-N 3.39Å; M144-G146 PolarHBondContact O-N 2.92Å
145	D	98.2	Very high	98.6	Very high	92 Å²	92	55 Å²	55	49%	0.492	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.3	173.2	-73.4	-18.8	0	0	0	113	H109 L141 A142 E143 I147	H109-D145 IonicContact CE1-OD2 3.11Å; H109-D145 PolarHBondContact CE1-OD2 3.48Å; H109-D145 IonicContact NE2-OD2 2.76Å; H109-D145 PolarHBondContact NE2-OD2 2.85Å; L141-D145 PolarHBondContact O-N 2.83Å; A142-D145 CarbonylContact O-C 3.57Å; A142-D145 WeakPolarHBondContact O-CB 3.49Å; A142-D145 PolarHBondContact O-N 2.69Å; A142-D145 VanDerWaalsContact O-N 3.12Å; E143-D145 PolarHBondContact O-N 3.49Å; D145-I147 HydrophobicContact CB-CG1 4.47Å
146	G	98.3	Very high	98.5	Very high	68 Å²	68	55 Å²	55	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	17.5	179.3	0	0	0	0	0	114.6	A142 E143 M144	A142-G146 PolarHBondContact O-N 2.77Å; E143-G146 PolarHBondContact O-N 3.27Å; M144-G146 PolarHBondContact O-N 2.92Å
147	I	98.7	Very high	98.5	Very high	22 Å²	22	50.6 Å²	50.6	11%	0.113	28%	0.276	C	S	.	.			trans	-87.4	127.1	175.1	-55.5	175.5	0	0	0	108.4	I112 K113 D116 A142 D145 V149	I112-I147 HydrophobicContact CG2-CD1 4Å; I112-I147 HydrophobicContact CG2-CG2 3.98Å; K113-I147 HydrophobicContact CG-CD1 4.08Å; D116-I147 HydrophobicContact CB-CD1 4.49Å; D116-I147 HydrophobicContact CB-CG2 4.07Å; A142-I147 HydrophobicContact CB-CB 4.36Å; A142-I147 WeakPolarHBondContact O-CB 3.31Å; A142-I147 PolarHBondContact O-N 2.86Å; D145-I147 HydrophobicContact CB-CG1 4.47Å; I147-V149 HydrophobicContact CB-CG2 4.28Å; I147-V149 HydrophobicContact CG2-CG2 3.81Å; I147-V149 PolarHBondContact O-N 3.25Å
148	E	98.7	Very high	98.4	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.533	26%	0.258	S	S	.	.			trans	-69	118.7	171.4	-177.9	-179.4	-170.9	0	0	109.3	G120 T121 V192	G120-E148 CarbonylContact C-O 2.92Å; G120-E148 WeakPolarHBondContact CA-O 3.32Å; T121-E148 PolarHBondContact N-O 3.36Å; E148-V192 HydrophobicContact CG-CB 4.25Å; E148-V192 HydrophobicContact CG-CG1 4.45Å; E148-V192 HydrophobicContact CG-CG2 4.17Å
149	V	98.8	Very high	98	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.8	-179	-176.6	0	0	0	0	110.9	I112 T121 M123 K139 A142 I147	I112-V149 HydrophobicContact CG2-CG2 4.09Å; T121-V149 VanDerWaalsContact O-CA 3.29Å; T121-V149 WeakPolarHBondContact O-CA 3.08Å; M123-V149 HydrophobicContact CE-CG1 3.85Å; M123-V149 HydrophobicContact CG-CG1 4.13Å; M123-V149 HydrophobicContact SD-CG1 4.08Å; K139-V149 HydrophobicContact CB-CG1 4.32Å; K139-V149 VanDerWaalsContact CE-O 3.22Å; K139-V149 WeakPolarHBondContact CE-O 3.39Å; K139-V149 HydrophobicContact CG-CB 4.18Å; K139-V149 HydrophobicContact CG-CG1 4.06Å; A142-V149 HydrophobicContact CB-CG2 3.57Å; I147-V149 HydrophobicContact CB-CG2 4.28Å; I147-V149 HydrophobicContact CG2-CG2 3.81Å; I147-V149 PolarHBondContact O-N 3.25Å
150	D	98.6	Very high	97.4	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	179.4	165	-152.4	0.5	0	0	0	111.3	T121 L122 M123 K139 V192 A196	T121-D150 PolarHBondContact O-N 3.17Å; T121-D150 VanDerWaalsContact O-N 3.08Å; L122-D150 WeakPolarHBondContact CA-O 3.19Å; L122-D150 HydrophobicContact CD1-CB 4.27Å; M123-D150 PolarHBondContact N-O 2.9Å; K139-D150 IonicContact NZ-OD1 3.05Å; K139-D150 PolarHBondContact NZ-OD1 2.67Å; D150-V192 HydrophobicContact CB-CG1 3.53Å; D150-A196 HydrophobicContact CB-CB 4.1Å; D150-A196 WeakPolarHBondContact OD2-CB 3.18Å
151	S	98.7	Very high	96.4	Very high	47 Å²	47	50 Å²	50	33%	0.329	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.4	-177.2	68.5	0	0	0	0	114.6	M123	M123-S151 CarbonylContact O-C 3.6Å; M123-S151 WeakPolarHBondContact O-CA 3.39Å; M123-S151 WeakPolarHBondContact O-CB 3.26Å
152	V	98.7	Very high	95.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.8	165.9	177.4	0	0	0	0	107.2	L122 M123 V125 V154 V178 V203	L122-V152 HydrophobicContact CD1-CG2 4.23Å; L122-V152 HydrophobicContact CD2-CG2 3.82Å; L122-V152 HydrophobicContact CG-CG2 4.31Å; M123-V152 PolarHBondContact O-N 3.43Å; V125-V152 PolarHBondContact N-O 3.48Å; V152-V154 HydrophobicContact CG1-CG2 4.47Å; V152-V178 HydrophobicContact CG1-CG1 4.21Å; V152-V203 HydrophobicContact CG1-CG2 3.86Å
153	L	98.6	Very high	94.4	Very high	73 Å²	73	53.9 Å²	53.9	38%	0.382	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124	171.9	-172	67.3	0	0	0	109.4	V125 N127 V132	V125-L153 HydrophobicContact CB-CD1 4.42Å; V125-L153 HydrophobicContact CG1-CD1 4.42Å; V125-L153 CarbonylContact O-C 3.23Å; V125-L153 WeakPolarHBondContact O-CA 3.18Å; N127-L153 HydrophobicContact CB-CD1 3.77Å; N127-L153 HydrophobicContact CB-CD2 4.27Å; N127-L153 HydrophobicContact CB-CG 3.95Å; V132-L153 HydrophobicContact CG2-CD1 3.54Å
154	V	98.7	Very high	93.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.5	178	-173.4	0	0	0	0	109.3	I124 V125 N127 V152 D156 G171 T175 V178 V203	I124-V154 HydrophobicContact CG2-CG2 3.89Å; V125-V154 PolarHBondContact O-N 3.41Å; N127-V154 WeakPolarHBondContact CB-O 3.38Å; N127-V154 PolarHBondContact N-O 2.97Å; V152-V154 HydrophobicContact CG1-CG2 4.47Å; V154-D156 HydrophobicContact CG1-CB 4.31Å; V154-D156 WeakPolarHBondContact CG1-OD1 3.39Å; V154-G171 WeakPolarHBondContact O-CA 3.31Å; V154-G171 PolarHBondContact O-N 2.65Å; V154-T175 HydrophobicContact CG2-CG2 4.24Å; V154-V178 HydrophobicContact CG1-CG2 4.4Å; V154-V178 HydrophobicContact CG2-CB 4.32Å; V154-V178 HydrophobicContact CG2-CG1 4.27Å; V154-V178 HydrophobicContact CG2-CG2 4.03Å; V154-V203 HydrophobicContact CB-CG2 4.37Å; V154-V203 HydrophobicContact CG1-CG1 4.48Å; V154-V203 HydrophobicContact CG1-CG2 4.35Å; V154-V203 HydrophobicContact CG2-CG2 4.01Å
155	D	97.3	Very high	92	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	29%	0.289	S	S	.	.			trans	-132.6	41.2	-177.5	69.8	-23.9	0	0	0	111.5	N127 D157 R169 R170 V203	N127-D155 HydrophobicContact CB-CB 3.94Å; D155-D157 VanDerWaalsContact C-N 3.27Å; D155-D157 PolarHBondContact O-N 2.91Å; D155-R169 HydrophobicContact CB-CB 3.96Å; D155-R169 WeakPolarHBondContact CB-O 3.48Å; D155-R169 VanDerWaalsContact O-CB 3.23Å; D155-R169 WeakPolarHBondContact O-CB 3.4Å; D155-R170 CarbonylContact C-O 3.4Å; D155-R170 VanDerWaalsContact C-O 3.23Å; D155-R170 WeakPolarHBondContact CA-O 3.42Å; D155-V203 WeakPolarHBondContact OD1-CG1 3.24Å
156	D	98	Very high	90.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.011	27%	0.269	C	S	.	.			trans	-70.5	-15.2	-171.5	66.8	-64.3	0	0	0	114.7	V154 I158 R170 V172 G174 I206 K207 T208	V154-D156 HydrophobicContact CG1-CB 4.31Å; V154-D156 WeakPolarHBondContact CG1-OD1 3.39Å; D156-I158 PolarHBondContact O-N 3.25Å; D156-I158 VanDerWaalsContact O-N 3.16Å; D156-R170 PolarHBondContact N-O 3.11Å; D156-V172 PolarHBondContact OD1-N 3.39Å; D156-V172 VanDerWaalsContact OD2-CG2 3.28Å; D156-V172 WeakPolarHBondContact OD2-CG2 3.36Å; D156-G174 WeakPolarHBondContact OD2-CA 3.1Å; D156-G174 PolarHBondContact OD2-N 3.49Å; D156-I206 HydrophobicContact CB-CB 4.26Å; D156-I206 HydrophobicContact CB-CG2 3.85Å; D156-K207 CarbonylContact O-C 3.52Å; D156-K207 WeakPolarHBondContact O-CA 3.23Å; D156-T208 PolarHBondContact O-N 2.91Å; D156-T208 WeakPolarHBondContact OD2-CB 3.47Å; D156-T208 PolarHBondContact OD2-OG1 2.79Å
157	D	97.7	Very high	89.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.011	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-74.7	104.5	-179.9	-167.4	-17.6	0	0	0	111.9	D155 A159 R169 R170 V172	D155-D157 VanDerWaalsContact C-N 3.27Å; D155-D157 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.3Å; D157-A159 PolarHBondContact O-N 3.44Å; D157-A159 WeakPolarHBondContact OD1-CB 3.35Å; D157-A159 PolarHBondContact OD1-N 2.97Å; D157-R169 VanDerWaalsContact O-CB 3.25Å; D157-R169 WeakPolarHBondContact O-CB 3.46Å; D157-R169 VanDerWaalsContact O-CG 3.28Å; D157-R169 WeakPolarHBondContact O-CG 3.36Å; D157-R170 HydrophobicContact CB-CB 3.81Å; D157-R170 WeakPolarHBondContact CB-O 3.42Å; D157-R170 PolarHBondContact N-O 2.9Å; D157-R170 IonicContact OD1-NH2 3.37Å; D157-R170 IonicContact OD2-CZ 3.92Å; D157-R170 IonicContact OD2-NE 2.78Å; D157-R170 PolarHBondContact OD2-NE 3.07Å; D157-R170 IonicContact OD2-NH2 2.85Å; D157-R170 PolarHBondContact OD2-NH2 3.22Å; D157-V172 HydrophobicContact CB-CG1 4.01Å; D157-V172 HydrophobicContact CB-CG2 3.73Å
158	I	96.2	Very high	89.2	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.			trans	-89.7	4.9	179.9	67	162.9	0	0	0	112.8	D156 V160 K207 T208 V209 K263 I264 E267	D156-I158 PolarHBondContact O-N 3.25Å; D156-I158 VanDerWaalsContact O-N 3.16Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.29Å; I158-K207 HydrophobicContact CD1-CB 4.2Å; I158-K207 HydrophobicContact CD1-CG 4.35Å; I158-K207 HydrophobicContact CG1-CB 4.46Å; I158-K207 HydrophobicContact CG2-CB 3.96Å; I158-K207 HydrophobicContact CG2-CG 3.57Å; I158-T208 WeakPolarHBondContact CG1-O 3.48Å; I158-T208 PolarHBondContact N-O 3.48Å; I158-V209 HydrophobicContact CD1-CG2 3.92Å; I158-V209 HydrophobicContact CG1-CG2 3.5Å; I158-K263 HydrophobicContact CD1-CG 4.35Å; I158-K263 PolarHBondContact O-NZ 3.39Å; I158-I264 HydrophobicContact CD1-CB 4.17Å; I158-I264 HydrophobicContact CD1-CG1 3.68Å; I158-I264 HydrophobicContact CG1-CG1 4.48Å; I158-E267 HydrophobicContact CB-CG 4.22Å; I158-E267 HydrophobicContact CD1-CB 4.31Å; I158-E267 HydrophobicContact CD1-CG 3.63Å; I158-E267 HydrophobicContact CG2-CG 4.12Å
159	A	92.1	Very high	89	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.041	26%	0.264	C	S	.	.	S	Bend	trans	-63.9	-40.2	-177.1	0	0	0	0	0	111.8	D157 V209 G236 Y245 K263	D157-A159 VanDerWaalsContact C-N 3.3Å; D157-A159 PolarHBondContact O-N 3.44Å; D157-A159 WeakPolarHBondContact OD1-CB 3.35Å; D157-A159 PolarHBondContact OD1-N 2.97Å; A159-V209 HydrophobicContact CB-CG1 4.43Å; A159-G236 VanDerWaalsContact CB-CA 3.4Å; A159-Y245 HydrophobicContact CB-CD1 3.93Å; A159-Y245 HydrophobicContact CB-CE1 3.94Å; A159-Y245 VanDerWaalsContact O-CD1 3.28Å; A159-Y245 WeakPolarHBondContact O-CD1 3.37Å; A159-K263 PolarHBondContact O-NZ 3.33Å
160	V	85.2	Confident	88.8	Confident	35 Å²	35	50.5 Å²	50.5	21%	0.212	26%	0.263	C	S	.	.			trans	-137.8	135.3	-173.9	-159.2	0	0	0	0	110	I158 D162	I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.29Å; V160-D162 WeakPolarHBondContact CG1-O 3.49Å
161	E	78.5	Confident	88.8	Confident	152 Å²	152	47.9 Å²	47.9	71%	0.71	25%	0.249	S	C	*	.	S	Bend	trans	-74.4	-40.8	180	-70	-176.9	173.7	0	0	112.8	G168 R169	E161-G168 CarbonylContact O-C 3.46Å; E161-G168 WeakPolarHBondContact O-CA 3.26Å; E161-R169 PolarHBondContact O-N 3.04Å
162	D	77.4	Confident	88.7	Confident	114 Å²	114	46 Å²	46	61%	0.61	24%	0.235	S	C	*	.	S	Bend	trans	-132.4	136.2	171.1	-75	-48.6	0	0	0	108.8	V160 G168	V160-D162 WeakPolarHBondContact CG1-O 3.49Å; D162-G168 PolarHBondContact OD1-N 3.38Å
163	S	78.1	Confident	88.7	Confident	24 Å²	24	46 Å²	46	17%	0.168	24%	0.235	C	C	.	.			trans	-124.5	174.3	-177.2	85.8	0	0	0	0	112.8	Y165 T166	S163-Y165 PolarHBondContact O-N 3.5Å; S163-Y165 VanDerWaalsContact O-N 3.07Å; S163-T166 WeakPolarHBondContact CB-OG1 3.39Å; S163-T166 PolarHBondContact N-OG1 2.92Å; S163-T166 PolarHBondContact O-N 3.22Å; S163-T166 WeakPolarHBondContact OG-CG2 3.26Å; S163-T166 PolarHBondContact OG-OG1 3.48Å
164	T	73.8	Confident	88.7	Confident	88 Å²	88	42.5 Å²	42.5	54%	0.54	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26	-176.6	-48.7	0	0	0	0	114
165	Y	71.2	Confident	88.7	Confident	132 Å²	132	42.5 Å²	42.5	52%	0.518	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	16.6	-174.1	-53.9	-60.7	0	0	0	113.8	S129 S163 E242	S129-Y165 WeakPolarHBondContact CB-O 3.48Å; S129-Y165 PolarHBondContact N-O 3.47Å; S129-Y165 PolarHBondContact OG-O 3.44Å; S129-Y165 VanDerWaalsContact OG-O 3.11Å; S163-Y165 PolarHBondContact O-N 3.5Å; S163-Y165 VanDerWaalsContact O-N 3.07Å; Y165-E242 HydrophobicContact CD2-CG 3.4Å; Y165-E242 WeakPolarHBondContact CD2-OE1 3.43Å; Y165-E242 HydrophobicContact CE2-CG 3.68Å
166	T	70.9	Confident	88.8	Confident	13 Å²	13	39.6 Å²	39.6	8%	0.08	20%	0.202	C	C	.	.			trans	-136.8	155.7	-175.4	63.7	0	0	0	0	112.4	N127 Y128 S163 G168 R170	N127-T166 WeakPolarHBondContact O-CG2 3.15Å; Y128-T166 HydrophobicContact CD1-CG2 3.74Å; Y128-T166 HydrophobicContact CE1-CG2 4.02Å; Y128-T166 HydrophobicContact CG-CG2 4.44Å; S163-T166 WeakPolarHBondContact CB-OG1 3.39Å; S163-T166 PolarHBondContact N-OG1 2.92Å; S163-T166 PolarHBondContact O-N 3.22Å; S163-T166 WeakPolarHBondContact OG-CG2 3.26Å; S163-T166 PolarHBondContact OG-OG1 3.48Å; T166-G168 VanDerWaalsContact CB-O 3.31Å; T166-G168 WeakPolarHBondContact CB-O 3.3Å; T166-G168 PolarHBondContact OG1-O 3.02Å; T166-R170 HydrophobicContact CG2-CB 4.41Å; T166-R170 HydrophobicContact CG2-CG 3.61Å
167	Q	79.1	Confident	88.9	Confident	164 Å²	164	39.5 Å²	39.5	77%	0.766	20%	0.201	S	C	*	.	S	Bend	trans	-102.5	117.9	153.6	-67.1	-176.7	-15.8	0	0	106.2	N127	N127-Q167 PolarHBondContact ND2-O 2.97Å
168	G	87.7	Confident	88.9	Confident	25 Å²	25	39.4 Å²	39.4	26%	0.258	20%	0.201	S	C	.	.	S	Bend	trans	80	-165.8	-170.3	0	0	0	0	0	114.3	E161 D162 T166	E161-G168 CarbonylContact O-C 3.46Å; E161-G168 WeakPolarHBondContact O-CA 3.26Å; D162-G168 PolarHBondContact OD1-N 3.38Å; T166-G168 VanDerWaalsContact CB-O 3.31Å; T166-G168 WeakPolarHBondContact CB-O 3.3Å; T166-G168 PolarHBondContact OG1-O 3.02Å
169	R	93.6	Very high	89	Confident	61 Å²	61	39.2 Å²	39.2	23%	0.23	20%	0.2	C	C	.	.	S	Bend	trans	-67.8	148.3	-176.4	-70.6	177	-176.2	-178.4	-2.2	112.5	N127 D155 D157 E161 E267	N127-R169 VanDerWaalsContact CB-O 3.32Å; N127-R169 WeakPolarHBondContact CB-O 3.31Å; N127-R169 PolarHBondContact ND2-O 3.03Å; D155-R169 HydrophobicContact CB-CB 3.96Å; D155-R169 WeakPolarHBondContact CB-O 3.48Å; D155-R169 VanDerWaalsContact O-CB 3.23Å; D155-R169 WeakPolarHBondContact O-CB 3.4Å; D157-R169 VanDerWaalsContact O-CB 3.25Å; D157-R169 WeakPolarHBondContact O-CB 3.46Å; D157-R169 VanDerWaalsContact O-CG 3.28Å; D157-R169 WeakPolarHBondContact O-CG 3.36Å; E161-R169 PolarHBondContact O-N 3.04Å; R169-E267 IonicContact CZ-OE2 2.65Å; R169-E267 IonicContact NH1-OE2 3.55Å; R169-E267 PolarHBondContact NH1-OE2 2.97Å; R169-E267 IonicContact NH2-OE1 2.77Å; R169-E267 PolarHBondContact NH2-OE1 3.36Å; R169-E267 VanDerWaalsContact NH2-OE1 3.14Å; R169-E267 IonicContact NH2-OE2 2.84Å; R169-E267 PolarHBondContact NH2-OE2 2.7Å
170	R	95.8	Very high	89.4	Confident	2 Å²	2	39 Å²	39	1%	0.008	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-77.1	152.3	178.1	-61.7	170	-60.1	-150.8	-2.2	111.1	Y128 D155 D156 D157 T166 V172 G236 G238	Y128-R170 HydrophobicContact CE1-CB 4.25Å; Y128-R170 HydrophobicContact CE1-CG 3.86Å; Y128-R170 HydrophobicContact CE2-CB 4.47Å; Y128-R170 WeakPolarHBondContact OH-CD 3.03Å; D155-R170 CarbonylContact C-O 3.4Å; D155-R170 VanDerWaalsContact C-O 3.23Å; D155-R170 WeakPolarHBondContact CA-O 3.42Å; D156-R170 PolarHBondContact N-O 3.11Å; D157-R170 HydrophobicContact CB-CB 3.81Å; D157-R170 WeakPolarHBondContact CB-O 3.42Å; D157-R170 PolarHBondContact N-O 2.9Å; D157-R170 IonicContact OD1-NH2 3.37Å; D157-R170 IonicContact OD2-CZ 3.92Å; D157-R170 IonicContact OD2-NE 2.78Å; D157-R170 PolarHBondContact OD2-NE 3.07Å; D157-R170 IonicContact OD2-NH2 2.85Å; D157-R170 PolarHBondContact OD2-NH2 3.22Å; T166-R170 HydrophobicContact CG2-CB 4.41Å; T166-R170 HydrophobicContact CG2-CG 3.61Å; R170-V172 HydrophobicContact CB-CG1 4.16Å; R170-G236 PolarHBondContact NH1-O 2.69Å; R170-G236 PolarHBondContact NH2-O 2.89Å; R170-G238 VanDerWaalsContact CZ-CA 3.49Å; R170-G238 VanDerWaalsContact NH1-CA 3.32Å
171	G	97.1	Very high	90	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-91.4	122.7	164.1	0	0	0	0	0	111.2	Y128 V154	Y128-G171 VanDerWaalsContact CE2-O 3.25Å; Y128-G171 WeakPolarHBondContact CE2-O 3.37Å; V154-G171 WeakPolarHBondContact O-CA 3.31Å; V154-G171 PolarHBondContact O-N 2.65Å
172	V	98.2	Very high	91	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	15%	0.154	C	C	.	.			trans	-133.7	-143.3	-174.9	-61.9	0	0	0	0	110.5	D156 D157 R170 G174 T175 T208 I239 M318	D156-V172 PolarHBondContact OD1-N 3.39Å; D156-V172 VanDerWaalsContact OD2-CG2 3.28Å; D156-V172 WeakPolarHBondContact OD2-CG2 3.36Å; D157-V172 HydrophobicContact CB-CG1 4.01Å; D157-V172 HydrophobicContact CB-CG2 3.73Å; R170-V172 HydrophobicContact CB-CG1 4.16Å; V172-G174 PolarHBondContact O-N 2.87Å; V172-T175 VanDerWaalsContact O-CB 3.24Å; V172-T175 WeakPolarHBondContact O-CB 3.49Å; V172-T175 PolarHBondContact O-N 3.14Å; V172-T175 PolarHBondContact O-OG1 3.13Å; V172-T208 HydrophobicContact CG2-CG2 3.5Å; V172-T208 VanDerWaalsContact CG2-CG2 3.5Å; V172-I239 HydrophobicContact CB-CG2 4.04Å; V172-I239 HydrophobicContact CG1-CG1 4.4Å; V172-I239 HydrophobicContact CG1-CG2 3.85Å; V172-M318 VanDerWaalsContact O-CE 3.25Å; V172-M318 WeakPolarHBondContact O-CE 3.32Å; V172-M318 VanDerWaalsContact O-SD 3.39Å
173	A	98.4	Very high	92	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.9	-170.5	0	0	0	0	0	114	T175 V176 T208 F279 N281 M318	A173-T175 PolarHBondContact O-N 3.11Å; A173-T175 VanDerWaalsContact O-N 3.08Å; A173-V176 PolarHBondContact O-N 3.22Å; A173-T208 HydrophobicContact CB-CG2 4.46Å; A173-F279 HydrophobicContact CB-CE1 3.82Å; A173-F279 HydrophobicContact CB-CZ 4.38Å; A173-F279 WeakPolarHBondContact O-CE1 3.34Å; A173-N281 HydrophobicContact CB-CB 4.07Å; A173-M318 HydrophobicContact CB-CB 4.42Å; A173-M318 PolarHBondContact N-SD 2.67Å; A173-M318 VanDerWaalsContact N-SD 3.44Å
174	G	98.7	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57	-24	175.4	0	0	0	0	0	114.4	D156 V172 V176 L177 V178	D156-G174 WeakPolarHBondContact OD2-CA 3.1Å; D156-G174 PolarHBondContact OD2-N 3.49Å; V172-G174 PolarHBondContact O-N 2.87Å; G174-V176 PolarHBondContact O-N 3.15Å; G174-L177 WeakPolarHBondContact O-CB 3.48Å; G174-L177 PolarHBondContact O-N 3.5Å; G174-V178 PolarHBondContact O-N 3.21Å
175	T	98.9	Very high	94.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-53	-36.8	173.1	-48.7	0	0	0	0	112.3	I124 K126 V154 V172 A173 L177 V178 H179	I124-T175 HydrophobicContact CG2-CG2 3.95Å; K126-T175 HydrophobicContact CG-CG2 4.07Å; V154-T175 HydrophobicContact CG2-CG2 4.24Å; V172-T175 VanDerWaalsContact O-CB 3.24Å; V172-T175 WeakPolarHBondContact O-CB 3.49Å; V172-T175 PolarHBondContact O-N 3.14Å; V172-T175 PolarHBondContact O-OG1 3.13Å; A173-T175 PolarHBondContact O-N 3.11Å; A173-T175 VanDerWaalsContact O-N 3.08Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 2.79Å; T175-V178 WeakPolarHBondContact O-CA 3.47Å; T175-V178 WeakPolarHBondContact O-CB 3.25Å; T175-V178 PolarHBondContact O-N 3.36Å; T175-V178 VanDerWaalsContact O-N 3.11Å; T175-H179 PolarHBondContact O-N 3.27Å; T175-H179 PolarHBondContact O-ND1 3.38Å
176	V	98.8	Very high	95.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-36.7	179.6	-176	0	0	0	0	111.4	F85 A173 G174 V178 H179 K180 F279 M318 W350	F85-V176 HydrophobicContact CD1-CG1 4.33Å; F85-V176 HydrophobicContact CD2-CG1 4.39Å; F85-V176 HydrophobicContact CE1-CG1 3.78Å; F85-V176 HydrophobicContact CE2-CB 4.44Å; F85-V176 HydrophobicContact CE2-CG1 3.85Å; F85-V176 HydrophobicContact CE2-CG2 3.79Å; F85-V176 HydrophobicContact CZ-CB 4.48Å; F85-V176 HydrophobicContact CZ-CG1 3.52Å; F85-V176 HydrophobicContact CZ-CG2 4.07Å; A173-V176 PolarHBondContact O-N 3.22Å; G174-V176 PolarHBondContact O-N 3.15Å; V176-V178 VanDerWaalsContact C-N 3.34Å; V176-H179 PolarHBondContact O-N 2.77Å; V176-K180 PolarHBondContact O-N 2.83Å; V176-K180 VanDerWaalsContact O-N 3.1Å; V176-F279 HydrophobicContact CB-CE1 4.42Å; V176-M318 HydrophobicContact CG2-CB 4.45Å; V176-M318 HydrophobicContact CG2-CE 4.3Å; V176-W350 HydrophobicContact CG1-CE3 3.95Å; V176-W350 HydrophobicContact CG1-CZ3 3.79Å
177	L	98.9	Very high	96.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-70.1	-34.4	176.2	-55.8	178.6	0	0	0	111.3	G174 T175 K180 I181 I206 F279 F311 T329 I331 L341 W350	G174-L177 WeakPolarHBondContact O-CB 3.48Å; G174-L177 PolarHBondContact O-N 3.5Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 2.79Å; L177-K180 PolarHBondContact O-N 3.33Å; L177-I181 WeakPolarHBondContact O-CG1 3.3Å; L177-I181 PolarHBondContact O-N 2.79Å; L177-I206 HydrophobicContact CB-CD1 4.3Å; L177-F279 HydrophobicContact CD1-CB 4.42Å; L177-F279 HydrophobicContact CD1-CD1 4.19Å; L177-F279 HydrophobicContact CD2-CD1 4.23Å; L177-F279 HydrophobicContact CG-CD1 4.11Å; L177-F311 HydrophobicContact CD2-CE1 4.23Å; L177-T329 HydrophobicContact CD1-CG2 3.88Å; L177-I331 HydrophobicContact CB-CD1 4.47Å; L177-I331 HydrophobicContact CD1-CB 4.01Å; L177-I331 HydrophobicContact CD1-CD1 4.42Å; L177-I331 HydrophobicContact CD1-CG2 3.87Å; L177-L341 HydrophobicContact CD2-CD2 4.03Å; L177-W350 HydrophobicContact CD2-CH2 4.01Å; L177-W350 HydrophobicContact CD2-CZ3 4.39Å
178	V	98.9	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-47	173.2	-178.4	0	0	0	0	110.2	I124 V152 V154 G174 T175 V176 K180 I181 I182 L202 V203 I206	I124-V178 HydrophobicContact CD1-CG1 4.23Å; I124-V178 HydrophobicContact CG1-CG1 4.4Å; I124-V178 HydrophobicContact CG2-CB 4.41Å; I124-V178 HydrophobicContact CG2-CG1 3.91Å; V152-V178 HydrophobicContact CG1-CG1 4.21Å; V154-V178 HydrophobicContact CG1-CG2 4.4Å; V154-V178 HydrophobicContact CG2-CB 4.32Å; V154-V178 HydrophobicContact CG2-CG1 4.27Å; V154-V178 HydrophobicContact CG2-CG2 4.03Å; G174-V178 PolarHBondContact O-N 3.21Å; T175-V178 WeakPolarHBondContact O-CA 3.47Å; T175-V178 WeakPolarHBondContact O-CB 3.25Å; T175-V178 PolarHBondContact O-N 3.36Å; T175-V178 VanDerWaalsContact O-N 3.11Å; V176-V178 VanDerWaalsContact C-N 3.34Å; V178-K180 PolarHBondContact O-N 3.3Å; V178-I181 PolarHBondContact O-N 2.92Å; V178-I182 HydrophobicContact CG1-CG1 3.84Å; V178-I182 VanDerWaalsContact O-CB 3.25Å; V178-I182 WeakPolarHBondContact O-CB 3.02Å; V178-I182 VanDerWaalsContact O-CG1 3.25Å; V178-I182 WeakPolarHBondContact O-CG1 3.28Å; V178-I182 PolarHBondContact O-N 3.16Å; V178-L202 HydrophobicContact CG1-CD2 4.43Å; V178-L202 HydrophobicContact CG2-CD2 4.29Å; V178-V203 HydrophobicContact CG2-CG2 3.97Å; V178-I206 HydrophobicContact CG2-CD1 3.65Å
179	H	98.9	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54	-43.7	173.9	-58.1	144.8	0	0	0	111.6	S72 H82 M90 L91 T175 V176 G183	S72-H179 WeakPolarHBondContact CB-NE2 3.46Å; S72-H179 PolarHBondContact OG-NE2 2.87Å; S72-H179 VanDerWaalsContact OG-NE2 3.11Å; H82-H179 AromaticContact CE1-CE1 3.79Å; H82-H179 AromaticContact ND1-CE1 3.2Å; H82-H179 PolarHBondContact ND1-CE1 3.42Å; H82-H179 AromaticContact ND1-NE2 3.83Å; M90-H179 HydrophobicContact CE-CB 3.74Å; L91-H179 HydrophobicContact CD2-CB 4.47Å; L91-H179 HydrophobicContact CG-CB 4.39Å; T175-H179 PolarHBondContact O-N 3.27Å; T175-H179 PolarHBondContact O-ND1 3.38Å; V176-H179 PolarHBondContact O-N 2.77Å; H179-G183 WeakPolarHBondContact O-CA 3.25Å; H179-G183 PolarHBondContact O-N 3.06Å
180	K	98.9	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-47.9	-176.5	-175.2	62.7	178.9	94.1	0	112.9	M90 V176 L177 V178 G184 F340 L341 E343 V345 W350	M90-K180 HydrophobicContact CE-CB 3.87Å; M90-K180 HydrophobicContact CE-CD 4.15Å; M90-K180 HydrophobicContact CG-CD 4.02Å; M90-K180 HydrophobicContact SD-CD 3.96Å; V176-K180 PolarHBondContact O-N 2.83Å; V176-K180 VanDerWaalsContact O-N 3.1Å; L177-K180 PolarHBondContact O-N 3.33Å; V178-K180 PolarHBondContact O-N 3.3Å; K180-G184 PolarHBondContact O-N 3.01Å; K180-G184 VanDerWaalsContact O-N 3.17Å; K180-F340 WeakPolarHBondContact CE-O 3.22Å; K180-F340 PolarHBondContact NZ-O 3.2Å; K180-L341 HydrophobicContact CB-CD2 4.19Å; K180-L341 HydrophobicContact CG-CD2 3.99Å; K180-E343 VanDerWaalsContact CE-O 3.3Å; K180-E343 WeakPolarHBondContact CE-O 3.46Å; K180-E343 PolarHBondContact NZ-O 3.31Å; K180-V345 HydrophobicContact CD-CG1 3.94Å; K180-W350 HydrophobicContact CB-CH2 4.22Å; K180-W350 HydrophobicContact CB-CZ2 4.21Å; K180-W350 HydrophobicContact CB-CZ3 4.48Å; K180-W350 HydrophobicContact CD-CD2 3.92Å; K180-W350 HydrophobicContact CD-CG 4.13Å; K180-W350 HydrophobicContact CD-CZ2 3.94Å; K180-W350 HydrophobicContact CG-CD2 4.36Å; K180-W350 HydrophobicContact CG-CH2 4.14Å; K180-W350 HydrophobicContact CG-CZ2 3.63Å
181	I	98.9	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.4	-47.1	-174.9	-67.7	167.6	0	0	0	110.3	L177 V178 G183 G184 M185 Y198 L202 I331 R337 F340 L341	L177-I181 WeakPolarHBondContact O-CG1 3.3Å; L177-I181 PolarHBondContact O-N 2.79Å; V178-I181 PolarHBondContact O-N 2.92Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 3.31Å; I181-G184 PolarHBondContact O-N 3.36Å; I181-M185 HydrophobicContact CG2-SD 4.47Å; I181-M185 WeakPolarHBondContact O-CG 3.24Å; I181-M185 PolarHBondContact O-N 3.44Å; I181-Y198 HydrophobicContact CG2-CE1 3.73Å; I181-L202 HydrophobicContact CB-CD2 3.89Å; I181-L202 HydrophobicContact CD1-CD1 3.75Å; I181-L202 HydrophobicContact CD1-CD2 4.07Å; I181-L202 HydrophobicContact CG2-CD2 3.9Å; I181-I331 HydrophobicContact CD1-CD1 3.59Å; I181-R337 HydrophobicContact CD1-CB 4.27Å; I181-R337 HydrophobicContact CD1-CG 4.37Å; I181-F340 HydrophobicContact CB-CB 4.45Å; I181-F340 HydrophobicContact CG1-CB 4.23Å; I181-F340 HydrophobicContact CG2-CB 4.38Å; I181-F340 HydrophobicContact CG2-CD2 4.07Å; I181-L341 HydrophobicContact CD1-CD1 4.47Å; I181-L341 HydrophobicContact CD1-CD2 4.08Å; I181-L341 HydrophobicContact CD1-CG 4.1Å; I181-L341 HydrophobicContact CG1-CD2 3.92Å; I181-L341 HydrophobicContact CG1-CG 4.03Å
182	I	98.9	Very high	98.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-35.6	178	-60.4	-60.1	0	0	0	110.9	L70 L122 I124 V178 M185 A186 L195 Y198 L202	L70-I182 HydrophobicContact CD1-CB 4.4Å; L70-I182 HydrophobicContact CD1-CG2 3.8Å; L70-I182 HydrophobicContact CD2-CG2 3.79Å; L70-I182 HydrophobicContact CG-CG2 4.49Å; L122-I182 HydrophobicContact CD2-CG2 3.52Å; I124-I182 HydrophobicContact CD1-CB 4.17Å; I124-I182 HydrophobicContact CD1-CG2 4.16Å; V178-I182 HydrophobicContact CG1-CG1 3.84Å; V178-I182 VanDerWaalsContact O-CB 3.25Å; V178-I182 WeakPolarHBondContact O-CB 3.02Å; V178-I182 VanDerWaalsContact O-CG1 3.25Å; V178-I182 WeakPolarHBondContact O-CG1 3.28Å; V178-I182 PolarHBondContact O-N 3.16Å; I182-M185 HydrophobicContact CD1-SD 4.35Å; I182-M185 PolarHBondContact O-N 3.2Å; I182-A186 WeakPolarHBondContact O-CB 3.15Å; I182-A186 PolarHBondContact O-N 3.28Å; I182-L195 HydrophobicContact CG2-CB 4.44Å; I182-L195 HydrophobicContact CG2-CD2 4.16Å; I182-Y198 HydrophobicContact CD1-CD1 3.95Å; I182-L202 HydrophobicContact CD1-CD2 4.43Å; I182-L202 HydrophobicContact CG1-CD2 4.44Å
183	G	98.8	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-45.5	172.2	0	0	0	0	0	113.6	L70 G89 H179 I181 A186 R187	L70-G183 VanDerWaalsContact CD1-CA 3.42Å; G89-G183 CarbonylContact O-C 3.55Å; G89-G183 WeakPolarHBondContact O-CA 3.37Å; H179-G183 WeakPolarHBondContact O-CA 3.25Å; H179-G183 PolarHBondContact O-N 3.06Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 3.31Å; G183-A186 PolarHBondContact O-N 2.74Å; G183-R187 WeakPolarHBondContact O-CB 3.49Å; G183-R187 PolarHBondContact O-N 3.37Å; G183-R187 VanDerWaalsContact O-N 3.08Å
184	G	98.6	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.4	0	0	0	0	0	112.6	K180 I181 R187 E188 F340	K180-G184 PolarHBondContact O-N 3.01Å; K180-G184 VanDerWaalsContact O-N 3.17Å; I181-G184 PolarHBondContact O-N 3.36Å; G184-R187 WeakPolarHBondContact O-CB 3.41Å; G184-R187 PolarHBondContact O-N 2.86Å; G184-E188 PolarHBondContact O-N 3.02Å; G184-F340 VanDerWaalsContact C-CE1 3.41Å
185	M	98.7	Very high	98.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.044	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-40.4	177.2	-68.7	-177.5	74	0	0	113.1	I181 I182 R187 E188 K190 L195 Y198 F340	I181-M185 HydrophobicContact CG2-SD 4.47Å; I181-M185 WeakPolarHBondContact O-CG 3.24Å; I181-M185 PolarHBondContact O-N 3.44Å; I182-M185 HydrophobicContact CD1-SD 4.35Å; I182-M185 PolarHBondContact O-N 3.2Å; M185-R187 VanDerWaalsContact C-N 3.26Å; M185-R187 PolarHBondContact O-N 2.7Å; M185-E188 WeakPolarHBondContact O-CB 3.28Å; M185-E188 PolarHBondContact O-N 3.08Å; M185-K190 HydrophobicContact CB-CG 4.12Å; M185-K190 HydrophobicContact CE-CG 4.24Å; M185-K190 WeakPolarHBondContact O-CB 2.97Å; M185-K190 VanDerWaalsContact O-CG 3.24Å; M185-K190 WeakPolarHBondContact O-CG 3.38Å; M185-K190 PolarHBondContact O-N 2.94Å; M185-L195 HydrophobicContact CB-CD2 3.38Å; M185-L195 HydrophobicContact CE-CD2 4.44Å; M185-L195 HydrophobicContact SD-CD2 4.49Å; M185-Y198 HydrophobicContact CE-CD1 4.05Å; M185-Y198 HydrophobicContact CE-CD2 3.65Å; M185-Y198 HydrophobicContact CE-CE2 4.17Å; M185-Y198 HydrophobicContact CE-CG 3.56Å; M185-Y198 HydrophobicContact SD-CD1 3.31Å; M185-Y198 WeakPolarHBondContact SD-CD1 3.33Å; M185-Y198 HydrophobicContact SD-CD2 3.91Å; M185-Y198 HydrophobicContact SD-CE1 3.54Å; M185-Y198 VanDerWaalsContact SD-CE1 3.54Å; M185-Y198 HydrophobicContact SD-CE2 4.08Å; M185-Y198 HydrophobicContact SD-CG 3.52Å; M185-Y198 VanDerWaalsContact SD-CG 3.52Å; M185-F340 HydrophobicContact CB-CZ 4.36Å; M185-F340 HydrophobicContact CG-CD2 4.15Å; M185-F340 HydrophobicContact CG-CE1 4.19Å; M185-F340 HydrophobicContact CG-CE2 3.46Å; M185-F340 VanDerWaalsContact CG-CE2 3.46Å; M185-F340 HydrophobicContact CG-CZ 3.48Å; M185-F340 VanDerWaalsContact CG-CZ 3.48Å; M185-F340 HydrophobicContact SD-CE2 4.38Å
186	A	98.7	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-40.2	175.5	0	0	0	0	0	110.5	Q67 L70 I182 G183 E188 G189 L195	Q67-A186 VanDerWaalsContact CB-O 3.25Å; Q67-A186 WeakPolarHBondContact CB-O 3.3Å; L70-A186 HydrophobicContact CD1-CB 3.97Å; L70-A186 HydrophobicContact CD2-CB 4.23Å; L70-A186 HydrophobicContact CG-CB 4.11Å; I182-A186 WeakPolarHBondContact O-CB 3.15Å; I182-A186 PolarHBondContact O-N 3.28Å; G183-A186 PolarHBondContact O-N 2.74Å; A186-E188 PolarHBondContact O-N 3.17Å; A186-G189 WeakPolarHBondContact O-CA 3.08Å; A186-G189 PolarHBondContact O-N 3.03Å; A186-L195 HydrophobicContact CB-CD1 4.03Å
187	R	97.5	Very high	98.6	Very high	61 Å²	61	27 Å²	27	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-23.8	173.7	-175.9	166.8	51.4	-173.5	-7.7	114.4	D88 G183 G184 M185 G189 E343 P344	D88-R187 IonicContact OD2-NH1 3.77Å; D88-R187 PolarHBondContact OD2-NH1 3Å; G183-R187 WeakPolarHBondContact O-CB 3.49Å; G183-R187 PolarHBondContact O-N 3.37Å; G183-R187 VanDerWaalsContact O-N 3.08Å; G184-R187 WeakPolarHBondContact O-CB 3.41Å; G184-R187 PolarHBondContact O-N 2.86Å; M185-R187 VanDerWaalsContact C-N 3.26Å; M185-R187 PolarHBondContact O-N 2.7Å; R187-G189 PolarHBondContact O-N 3.05Å; R187-E343 VanDerWaalsContact CZ-CD 3.43Å; R187-E343 IonicContact CZ-OE1 2.65Å; R187-E343 IonicContact CZ-OE2 3.53Å; R187-E343 IonicContact NE-OE1 3.14Å; R187-E343 PolarHBondContact NE-OE1 2.52Å; R187-E343 VanDerWaalsContact NE-OE1 3.1Å; R187-E343 IonicContact NE-OE2 2.79Å; R187-E343 IonicContact NH1-OE1 2.76Å; R187-E343 VanDerWaalsContact NH2-CG 3.34Å; R187-E343 IonicContact NH2-OE1 2.69Å; R187-E343 PolarHBondContact NH2-OE1 2.94Å; R187-E343 IonicContact NH2-OE2 2.77Å; R187-E343 PolarHBondContact NH2-OE2 2.87Å; R187-P344 PolarHBondContact NH1-O 2.91Å; R187-P344 PolarHBondContact NH2-O 2.88Å; R187-P344 VanDerWaalsContact NH2-O 3.1Å
188	E	97.7	Very high	98.6	Very high	86 Å²	86	28.9 Å²	28.9	40%	0.402	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6.1	171.1	-66	-174.8	165.6	0	0	113.8	G184 M185 A186 R339 F340	G184-E188 PolarHBondContact O-N 3.02Å; M185-E188 WeakPolarHBondContact O-CB 3.28Å; M185-E188 PolarHBondContact O-N 3.08Å; A186-E188 PolarHBondContact O-N 3.17Å; E188-R339 IonicContact OE1-CZ 3.22Å; E188-R339 IonicContact OE1-NH1 2.67Å; E188-R339 PolarHBondContact OE1-NH1 2.85Å; E188-R339 IonicContact OE1-NH2 2.69Å; E188-R339 PolarHBondContact OE1-NH2 3.24Å; E188-R339 IonicContact OE2-NH2 3.33Å; E188-R339 PolarHBondContact OE2-NH2 2.93Å; E188-F340 HydrophobicContact CG-CE1 4.37Å; E188-F340 WeakPolarHBondContact OE2-CZ 3.38Å
189	G	98	Very high	98.6	Very high	58 Å²	58	28.9 Å²	28.9	60%	0.598	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	22.3	175.5	0	0	0	0	0	114.3	A186 R187	A186-G189 WeakPolarHBondContact O-CA 3.08Å; A186-G189 PolarHBondContact O-N 3.03Å; R187-G189 PolarHBondContact O-N 3.05Å
190	K	98.6	Very high	98.6	Very high	68 Å²	68	35.4 Å²	35.4	30%	0.296	20%	0.2	S	C	.	.			trans	-63.3	141.7	173.8	-64.7	-60.9	-174.6	-178.8	0	111.4	V68 M185 E194 L195	V68-K190 WeakPolarHBondContact CG2-O 3.47Å; M185-K190 HydrophobicContact CB-CG 4.12Å; M185-K190 HydrophobicContact CE-CG 4.24Å; M185-K190 WeakPolarHBondContact O-CB 2.97Å; M185-K190 VanDerWaalsContact O-CG 3.24Å; M185-K190 WeakPolarHBondContact O-CG 3.38Å; M185-K190 PolarHBondContact O-N 2.94Å; K190-E194 HydrophobicContact CB-CB 4.31Å; K190-E194 HydrophobicContact CD-CB 4.49Å; K190-E194 WeakPolarHBondContact CD-OE1 3.25Å; K190-E194 IonicContact NZ-OE1 3.33Å; K190-E194 PolarHBondContact NZ-OE1 3.17Å; K190-L195 HydrophobicContact CB-CD2 3.66Å; K190-L195 HydrophobicContact CB-CG 3.86Å; K190-L195 HydrophobicContact CG-CD2 4.38Å
191	S	98.7	Very high	98.6	Very high	48 Å²	48	39.8 Å²	39.8	34%	0.336	22%	0.22	S	C	.	.			trans	-72.2	162.1	177.8	60.1	0	0	0	0	112.7	A193 E194 L195	S191-A193 VanDerWaalsContact C-N 3.28Å; S191-A193 PolarHBondContact O-N 3.37Å; S191-E194 WeakPolarHBondContact CB-OE2 3.36Å; S191-E194 PolarHBondContact N-OE2 2.98Å; S191-E194 PolarHBondContact O-N 3.19Å; S191-E194 VanDerWaalsContact O-N 3.16Å; S191-E194 VanDerWaalsContact OG-CG 3.3Å; S191-E194 WeakPolarHBondContact OG-CG 3.46Å; S191-E194 PolarHBondContact OG-N 3.23Å; S191-E194 PolarHBondContact OG-OE2 3.02Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.24Å; S191-L195 PolarHBondContact O-N 3.33Å
192	V	98.9	Very high	98.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-52.5	-47.6	175.9	178.1	0	0	0	0	110.9	V68 L122 E148 D150 E194 L195 A196	V68-V192 HydrophobicContact CG1-CG2 3.86Å; V68-V192 HydrophobicContact CG2-CG2 3.92Å; L122-V192 HydrophobicContact CD1-CG1 4.35Å; E148-V192 HydrophobicContact CG-CB 4.25Å; E148-V192 HydrophobicContact CG-CG1 4.45Å; E148-V192 HydrophobicContact CG-CG2 4.17Å; D150-V192 HydrophobicContact CB-CG1 3.53Å; V192-E194 PolarHBondContact O-N 2.9Å; V192-L195 PolarHBondContact O-N 3.19Å; V192-A196 WeakPolarHBondContact O-CB 3.38Å; V192-A196 PolarHBondContact O-N 3.31Å
193	A	98.7	Very high	98.5	Very high	58 Å²	58	40 Å²	40	48%	0.479	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-40.7	179.4	0	0	0	0	0	113.4	S191 S197	S191-A193 VanDerWaalsContact C-N 3.28Å; S191-A193 PolarHBondContact O-N 3.37Å; A193-S197 VanDerWaalsContact O-CB 3.26Å; A193-S197 WeakPolarHBondContact O-CB 3.26Å; A193-S197 PolarHBondContact O-N 3.26Å
194	E	98.8	Very high	98.4	Very high	87 Å²	87	45.2 Å²	45.2	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-44	175.5	-76.4	170.8	107.5	0	0	111.3	K190 S191 V192 Y198	K190-E194 HydrophobicContact CB-CB 4.31Å; K190-E194 HydrophobicContact CD-CB 4.49Å; K190-E194 WeakPolarHBondContact CD-OE1 3.25Å; K190-E194 IonicContact NZ-OE1 3.33Å; K190-E194 PolarHBondContact NZ-OE1 3.17Å; S191-E194 WeakPolarHBondContact CB-OE2 3.36Å; S191-E194 PolarHBondContact N-OE2 2.98Å; S191-E194 PolarHBondContact O-N 3.19Å; S191-E194 VanDerWaalsContact O-N 3.16Å; S191-E194 VanDerWaalsContact OG-CG 3.3Å; S191-E194 WeakPolarHBondContact OG-CG 3.46Å; S191-E194 PolarHBondContact OG-N 3.23Å; S191-E194 PolarHBondContact OG-OE2 3.02Å; V192-E194 PolarHBondContact O-N 2.9Å; E194-Y198 VanDerWaalsContact O-CB 3.31Å; E194-Y198 WeakPolarHBondContact O-CB 3.37Å; E194-Y198 PolarHBondContact O-N 3.01Å
195	L	98.9	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-42.1	-179.9	-64.6	173	0	0	0	112.2	V68 L70 L122 I182 M185 A186 K190 S191 V192 G199	V68-L195 HydrophobicContact CB-CD1 3.81Å; V68-L195 HydrophobicContact CG1-CD1 3.79Å; V68-L195 HydrophobicContact CG2-CD1 4.08Å; L70-L195 HydrophobicContact CD2-CD1 4.28Å; L122-L195 HydrophobicContact CD1-CB 4.36Å; L122-L195 HydrophobicContact CD2-CB 3.7Å; L122-L195 HydrophobicContact CG-CB 4.47Å; I182-L195 HydrophobicContact CG2-CB 4.44Å; I182-L195 HydrophobicContact CG2-CD2 4.16Å; M185-L195 HydrophobicContact CB-CD2 3.38Å; M185-L195 HydrophobicContact CE-CD2 4.44Å; M185-L195 HydrophobicContact SD-CD2 4.49Å; A186-L195 HydrophobicContact CB-CD1 4.03Å; K190-L195 HydrophobicContact CB-CD2 3.66Å; K190-L195 HydrophobicContact CB-CG 3.86Å; K190-L195 HydrophobicContact CG-CD2 4.38Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.24Å; S191-L195 PolarHBondContact O-N 3.33Å; V192-L195 PolarHBondContact O-N 3.19Å; L195-G199 PolarHBondContact O-N 3.21Å
196	A	98.8	Very high	98.4	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-47.8	176.9	0	0	0	0	0	111.4	L122 D150 V192 G199 K200	L122-A196 HydrophobicContact CD1-CB 3.64Å; D150-A196 HydrophobicContact CB-CB 4.1Å; D150-A196 WeakPolarHBondContact OD2-CB 3.18Å; V192-A196 WeakPolarHBondContact O-CB 3.38Å; V192-A196 PolarHBondContact O-N 3.31Å; A196-G199 PolarHBondContact O-N 3.33Å; A196-K200 PolarHBondContact O-N 3.12Å
197	S	98.7	Very high	98.4	Very high	79 Å²	79	47.6 Å²	47.6	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-61.1	-47.6	177.7	-175.4	0	0	0	0	111.8	A193 K200 E201	A193-S197 VanDerWaalsContact O-CB 3.26Å; A193-S197 WeakPolarHBondContact O-CB 3.26Å; A193-S197 PolarHBondContact O-N 3.26Å; S197-K200 PolarHBondContact O-N 3.38Å; S197-E201 PolarHBondContact O-N 2.84Å
198	Y	98.8	Very high	98.4	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-45.2	177.7	-173.3	-82.5	0	0	0	112	I181 I182 M185 E194 K200 E201 L202 R337	I181-Y198 HydrophobicContact CG2-CE1 3.73Å; I182-Y198 HydrophobicContact CD1-CD1 3.95Å; M185-Y198 HydrophobicContact CE-CD1 4.05Å; M185-Y198 HydrophobicContact CE-CD2 3.65Å; M185-Y198 HydrophobicContact CE-CE2 4.17Å; M185-Y198 HydrophobicContact CE-CG 3.56Å; M185-Y198 HydrophobicContact SD-CD1 3.31Å; M185-Y198 WeakPolarHBondContact SD-CD1 3.33Å; M185-Y198 HydrophobicContact SD-CD2 3.91Å; M185-Y198 HydrophobicContact SD-CE1 3.54Å; M185-Y198 VanDerWaalsContact SD-CE1 3.54Å; M185-Y198 HydrophobicContact SD-CE2 4.08Å; M185-Y198 HydrophobicContact SD-CG 3.52Å; M185-Y198 VanDerWaalsContact SD-CG 3.52Å; E194-Y198 VanDerWaalsContact O-CB 3.31Å; E194-Y198 WeakPolarHBondContact O-CB 3.37Å; E194-Y198 PolarHBondContact O-N 3.01Å; Y198-K200 VanDerWaalsContact C-N 3.29Å; Y198-K200 PolarHBondContact O-N 2.97Å; Y198-E201 PolarHBondContact O-N 3.49Å; Y198-E201 VanDerWaalsContact O-N 3.1Å; Y198-L202 HydrophobicContact CD1-CB 4.16Å; Y198-L202 HydrophobicContact CE1-CB 4.04Å; Y198-L202 HydrophobicContact CE1-CD1 4.46Å; Y198-L202 HydrophobicContact CE1-CD2 4.21Å; Y198-L202 HydrophobicContact CE1-CG 4.47Å; Y198-L202 WeakPolarHBondContact O-CB 3.47Å; Y198-L202 PolarHBondContact O-N 3.07Å; Y198-R337 WeakPolarHBondContact OH-CG 3.49Å; Y198-R337 PolarHBondContact OH-NE 3.12Å
199	G	98.8	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-39.7	-179.9	0	0	0	0	0	112.6	L195 A196 E201 L202 V203	L195-G199 PolarHBondContact O-N 3.21Å; A196-G199 PolarHBondContact O-N 3.33Å; G199-E201 PolarHBondContact O-N 2.92Å; G199-L202 WeakPolarHBondContact O-CB 3.42Å; G199-L202 PolarHBondContact O-N 3.28Å; G199-V203 WeakPolarHBondContact O-CG2 3.41Å; G199-V203 PolarHBondContact O-N 3.39Å
200	K	98.3	Very high	98.5	Very high	138 Å²	138	38.2 Å²	38.2	60%	0.6	20%	0.201	S	C	*	.	H	α-helix	trans	-60	-42.2	174.1	-177.2	178	-178.7	174.5	0	112.9	A196 S197 Y198	A196-K200 PolarHBondContact O-N 3.12Å; S197-K200 PolarHBondContact O-N 3.38Å; Y198-K200 VanDerWaalsContact C-N 3.29Å; Y198-K200 PolarHBondContact O-N 2.97Å
201	E	98.2	Very high	98.4	Very high	91 Å²	91	35.4 Å²	35.4	43%	0.425	19%	0.189	S	C	.	.	H	α-helix	trans	-74.5	-34.1	176.5	-62.4	-52.9	128.9	0	0	112.1	S197 Y198 G199 K204	S197-E201 PolarHBondContact O-N 2.84Å; Y198-E201 PolarHBondContact O-N 3.49Å; Y198-E201 VanDerWaalsContact O-N 3.1Å; G199-E201 PolarHBondContact O-N 2.92Å; E201-K204 PolarHBondContact O-N 3.12Å; E201-K204 IonicContact OE1-NZ 2.87Å; E201-K204 PolarHBondContact OE1-NZ 3.02Å; E201-K204 IonicContact OE2-NZ 2.79Å; E201-K204 PolarHBondContact OE2-NZ 2.99Å
202	L	98.6	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-47	176.3	174.9	63.9	0	0	0	112.1	V178 I181 I182 Y198 G199 K204 D205 I206 I331	V178-L202 HydrophobicContact CG1-CD2 4.43Å; V178-L202 HydrophobicContact CG2-CD2 4.29Å; I181-L202 HydrophobicContact CB-CD2 3.89Å; I181-L202 HydrophobicContact CD1-CD1 3.75Å; I181-L202 HydrophobicContact CD1-CD2 4.07Å; I181-L202 HydrophobicContact CG2-CD2 3.9Å; I182-L202 HydrophobicContact CD1-CD2 4.43Å; I182-L202 HydrophobicContact CG1-CD2 4.44Å; Y198-L202 HydrophobicContact CD1-CB 4.16Å; Y198-L202 HydrophobicContact CE1-CB 4.04Å; Y198-L202 HydrophobicContact CE1-CD1 4.46Å; Y198-L202 HydrophobicContact CE1-CD2 4.21Å; Y198-L202 HydrophobicContact CE1-CG 4.47Å; Y198-L202 WeakPolarHBondContact O-CB 3.47Å; Y198-L202 PolarHBondContact O-N 3.07Å; G199-L202 WeakPolarHBondContact O-CB 3.42Å; G199-L202 PolarHBondContact O-N 3.28Å; L202-K204 VanDerWaalsContact C-N 3.26Å; L202-K204 PolarHBondContact O-N 3.2Å; L202-D205 WeakPolarHBondContact O-CA 3.43Å; L202-D205 WeakPolarHBondContact O-CB 3.26Å; L202-D205 PolarHBondContact O-N 3.04Å; L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CG-CD1 4.03Å; L202-I331 HydrophobicContact CD1-CD1 3.93Å
203	V	98.5	Very high	98.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-38.2	-178.7	170.6	0	0	0	0	111.2	V152 V154 D155 V178 G199 D205 I206	V152-V203 HydrophobicContact CG1-CG2 3.86Å; V154-V203 HydrophobicContact CB-CG2 4.37Å; V154-V203 HydrophobicContact CG1-CG1 4.48Å; V154-V203 HydrophobicContact CG1-CG2 4.35Å; V154-V203 HydrophobicContact CG2-CG2 4.01Å; D155-V203 WeakPolarHBondContact OD1-CG1 3.24Å; V178-V203 HydrophobicContact CG2-CG2 3.97Å; G199-V203 WeakPolarHBondContact O-CG2 3.41Å; G199-V203 PolarHBondContact O-N 3.39Å; V203-D205 PolarHBondContact O-N 3.03Å; V203-I206 PolarHBondContact O-N 2.93Å
204	K	96.8	Very high	98.4	Very high	110 Å²	110	35.5 Å²	35.5	48%	0.478	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	175	-63.9	178.4	-162.6	164.3	0	113	E201 L202 K207	E201-K204 PolarHBondContact O-N 3.12Å; E201-K204 IonicContact OE1-NZ 2.87Å; E201-K204 PolarHBondContact OE1-NZ 3.02Å; E201-K204 IonicContact OE2-NZ 2.79Å; E201-K204 PolarHBondContact OE2-NZ 2.99Å; L202-K204 VanDerWaalsContact C-N 3.26Å; L202-K204 PolarHBondContact O-N 3.2Å; K204-K207 PolarHBondContact O-NZ 3.35Å
205	D	97.6	Very high	98.3	Very high	41 Å²	41	31.9 Å²	31.9	22%	0.219	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.2	179.8	-77.9	-34.4	0	0	0	113.5	L202 V203 F268 I331 K332 R337	L202-D205 WeakPolarHBondContact O-CA 3.43Å; L202-D205 WeakPolarHBondContact O-CB 3.26Å; L202-D205 PolarHBondContact O-N 3.04Å; V203-D205 PolarHBondContact O-N 3.03Å; D205-F268 WeakPolarHBondContact O-CZ 3.37Å; D205-I331 VanDerWaalsContact O-CA 3.31Å; D205-I331 WeakPolarHBondContact O-CA 3.3Å; D205-K332 HydrophobicContact CB-CB 4.1Å; D205-K332 PolarHBondContact O-N 2.9Å; D205-R337 IonicContact OD2-CZ 3.93Å; D205-R337 VanDerWaalsContact OD2-CZ 3.25Å; D205-R337 IonicContact OD2-NH1 2.74Å; D205-R337 PolarHBondContact OD2-NH1 3.15Å; D205-R337 IonicContact OD2-NH2 3.07Å; D205-R337 PolarHBondContact OD2-NH2 3.4Å
206	I	98.6	Very high	98.2	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.4	178.8	-57	170.4	0	0	0	109.5	D156 L177 V178 L202 V203 T329 L330 I331	D156-I206 HydrophobicContact CB-CB 4.26Å; D156-I206 HydrophobicContact CB-CG2 3.85Å; L177-I206 HydrophobicContact CB-CD1 4.3Å; V178-I206 HydrophobicContact CG2-CD1 3.65Å; L202-I206 HydrophobicContact CD1-CD1 4.26Å; L202-I206 HydrophobicContact CG-CD1 4.03Å; V203-I206 PolarHBondContact O-N 2.93Å; I206-T329 HydrophobicContact CG2-CG2 3.5Å; I206-T329 VanDerWaalsContact CG2-CG2 3.5Å; I206-L330 WeakPolarHBondContact CA-O 3.25Å; I206-I331 HydrophobicContact CD1-CD1 4.09Å; I206-I331 HydrophobicContact CG1-CB 4.12Å; I206-I331 HydrophobicContact CG1-CD1 3.89Å; I206-I331 HydrophobicContact CG1-CG1 3.83Å
207	K	98.3	Very high	98	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.2	178.9	-75.1	64.8	143.5	-176.6	0	110.3	D156 I158 K204 I264 E267 F268 T329 L330	D156-K207 CarbonylContact O-C 3.52Å; D156-K207 WeakPolarHBondContact O-CA 3.23Å; I158-K207 HydrophobicContact CD1-CB 4.2Å; I158-K207 HydrophobicContact CD1-CG 4.35Å; I158-K207 HydrophobicContact CG1-CB 4.46Å; I158-K207 HydrophobicContact CG2-CB 3.96Å; I158-K207 HydrophobicContact CG2-CG 3.57Å; K204-K207 PolarHBondContact O-NZ 3.35Å; K207-I264 HydrophobicContact CB-CG1 4.29Å; K207-I264 HydrophobicContact CB-CG2 3.86Å; K207-E267 HydrophobicContact CG-CB 4.02Å; K207-F268 HydrophobicContact CB-CE2 3.8Å; K207-F268 HydrophobicContact CB-CZ 4.45Å; K207-F268 HydrophobicContact CD-CD2 4.08Å; K207-F268 HydrophobicContact CD-CE1 3.97Å; K207-F268 HydrophobicContact CD-CE2 3.38Å; K207-F268 HydrophobicContact CD-CZ 3.33Å; K207-F268 HydrophobicContact CG-CD2 4.29Å; K207-F268 HydrophobicContact CG-CE2 3.78Å; K207-F268 HydrophobicContact CG-CZ 4.23Å; K207-F268 VanDerWaalsContact NZ-CD1 3.29Å; K207-T329 CarbonylContact O-C 3.43Å; K207-T329 VanDerWaalsContact O-CA 3.28Å; K207-T329 WeakPolarHBondContact O-CA 3.31Å; K207-L330 PolarHBondContact N-O 3.33Å; K207-L330 PolarHBondContact O-N 2.88Å
208	T	98.7	Very high	97.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.9	-178.6	-57.7	0	0	0	0	111.3	D156 I158 V172 A173 I328 T329	D156-T208 PolarHBondContact O-N 2.91Å; D156-T208 WeakPolarHBondContact OD2-CB 3.47Å; D156-T208 PolarHBondContact OD2-OG1 2.79Å; I158-T208 WeakPolarHBondContact CG1-O 3.48Å; I158-T208 PolarHBondContact N-O 3.48Å; V172-T208 HydrophobicContact CG2-CG2 3.5Å; V172-T208 VanDerWaalsContact CG2-CG2 3.5Å; A173-T208 HydrophobicContact CB-CG2 4.46Å; T208-I328 VanDerWaalsContact CA-O 3.32Å; T208-I328 WeakPolarHBondContact CA-O 3.31Å; T208-T329 VanDerWaalsContact CG2-OG1 3.31Å; T208-T329 WeakPolarHBondContact CG2-OG1 3.44Å; T208-T329 WeakPolarHBondContact OG1-CB 3.5Å; T208-T329 VanDerWaalsContact OG1-CG2 3.26Å; T208-T329 WeakPolarHBondContact OG1-CG2 3.24Å; T208-T329 PolarHBondContact OG1-OG1 3.32Å
209	V	98.3	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.6	164.6	-178.6	0	0	0	0	108.4	I158 A159 Y245 I260 K263 I264 S327 I328	I158-V209 HydrophobicContact CD1-CG2 3.92Å; I158-V209 HydrophobicContact CG1-CG2 3.5Å; A159-V209 HydrophobicContact CB-CG1 4.43Å; V209-Y245 HydrophobicContact CG1-CE1 4.22Å; V209-I260 HydrophobicContact CB-CB 4.46Å; V209-I260 HydrophobicContact CB-CG1 4.33Å; V209-I260 HydrophobicContact CB-CG2 3.72Å; V209-I260 HydrophobicContact CG1-CG1 4.1Å; V209-I260 HydrophobicContact CG1-CG2 4.4Å; V209-I260 HydrophobicContact CG2-CG2 4.32Å; V209-K263 HydrophobicContact CG2-CB 4.45Å; V209-K263 HydrophobicContact CG2-CD 4.18Å; V209-I264 HydrophobicContact CG2-CD1 4.46Å; V209-I264 HydrophobicContact CG2-CG1 4.03Å; V209-S327 VanDerWaalsContact O-CA 3.3Å; V209-S327 WeakPolarHBondContact O-CA 3.45Å; V209-I328 PolarHBondContact N-O 3.46Å; V209-I328 PolarHBondContact O-N 3.45Å
210	G	98	Very high	97.3	Very high	6 Å²	6	34.8 Å²	34.8	6%	0.062	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	161.8	173.6	0	0	0	0	0	113.2	G236 A326	G210-G236 WeakPolarHBondContact O-CA 3.48Å; G210-G236 PolarHBondContact O-N 2.86Å; G210-A326 CarbonylContact C-O 3.58Å; G210-A326 WeakPolarHBondContact CA-O 3.35Å
211	I	98.4	Very high	96.9	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.2	164.4	63.6	90.8	0	0	0	108.6	L213 M233 E234 F235 I256 I260 G325 A326	I211-L213 HydrophobicContact CD1-CD2 4.3Å; I211-L213 HydrophobicContact CD1-CG 4.21Å; I211-M233 HydrophobicContact CB-CE 4.04Å; I211-M233 HydrophobicContact CG2-CE 4.04Å; I211-E234 CarbonylContact C-O 3.57Å; I211-E234 WeakPolarHBondContact CA-O 3.4Å; I211-F235 HydrophobicContact CG2-CD1 3.28Å; I211-F235 HydrophobicContact CG2-CE1 3.56Å; I211-F235 HydrophobicContact CG2-CG 4Å; I211-F235 HydrophobicContact CG2-CZ 4.45Å; I211-I256 HydrophobicContact CG1-CG2 4.25Å; I211-I256 HydrophobicContact CG2-CG2 4.15Å; I211-I260 HydrophobicContact CG2-CD1 3.84Å; I211-I260 HydrophobicContact CG2-CG1 4.32Å; I211-G325 CarbonylContact O-C 3.59Å; I211-G325 WeakPolarHBondContact O-CA 3.25Å; I211-A326 PolarHBondContact N-O 2.63Å; I211-A326 PolarHBondContact O-N 3.42Å
212	A	98.4	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.3	170.8	0	0	0	0	0	112	F226 M233 E234 V237 M323 A324	A212-F226 HydrophobicContact CB-CE2 4.24Å; A212-F226 HydrophobicContact CB-CZ 3.66Å; A212-M233 WeakPolarHBondContact O-CA 3.3Å; A212-E234 PolarHBondContact N-O 2.72Å; A212-E234 PolarHBondContact O-N 2.95Å; A212-V237 HydrophobicContact CB-CB 3.78Å; A212-V237 HydrophobicContact CB-CG1 3.93Å; A212-V237 HydrophobicContact CB-CG2 3.76Å; A212-M323 HydrophobicContact CB-CG 4.37Å; A212-M323 HydrophobicContact CB-SD 4.07Å; A212-A324 CarbonylContact C-O 3.57Å; A212-A324 WeakPolarHBondContact CA-O 3.41Å
213	L	98.3	Very high	96.2	Very high	59 Å²	59	36.8 Å²	36.8	31%	0.309	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-27.5	174.5	-56.4	177.1	0	0	0	110.9	I211 M233 A324	I211-L213 HydrophobicContact CD1-CD2 4.3Å; I211-L213 HydrophobicContact CD1-CG 4.21Å; L213-M233 HydrophobicContact CD2-CB 3.82Å; L213-A324 HydrophobicContact CB-CB 4.04Å; L213-A324 PolarHBondContact N-O 3.4Å
214	S	97.8	Very high	96	Very high	52 Å²	52	39.4 Å²	39.4	36%	0.364	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	151.7	170.6	64	0	0	0	0	111	M323 A324	S214-M323 WeakPolarHBondContact O-CG 3.43Å; S214-A324 PolarHBondContact N-O 3.41Å; S214-A324 PolarHBondContact O-N 2.62Å; S214-A324 VanDerWaalsContact OG-CB 3.24Å; S214-A324 WeakPolarHBondContact OG-CB 3.37Å
215	G	96.8	Very high	95.7	Very high	10 Å²	10	37.2 Å²	37.2	10%	0.103	23%	0.229	C	C	.	.			trans	-81.2	151.1	-179.6	0	0	0	0	0	113.8	F226	G215-F226 VanDerWaalsContact CA-CE1 3.43Å
216	A	96.8	Very high	95.7	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	22%	0.224	C	C	.	.			trans	-73.1	147.5	172.1	0	0	0	0	0	112.3	F100 P224 G225 S320 L321 M323	F100-A216 HydrophobicContact CE2-CB 4.44Å; F100-A216 HydrophobicContact CZ-CB 4.35Å; A216-P224 CarbonylContact O-C 3.57Å; A216-P224 WeakPolarHBondContact O-CA 3.42Å; A216-G225 PolarHBondContact O-N 2.79Å; A216-S320 VanDerWaalsContact CB-O 3.3Å; A216-S320 WeakPolarHBondContact CB-O 3.32Å; A216-L321 HydrophobicContact CB-CB 4.11Å; A216-L321 HydrophobicContact CB-CD1 4.35Å; A216-M323 HydrophobicContact CB-CB 4.16Å
217	T	95.9	Very high	95.6	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.123	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-94.9	115.5	168.9	-57.6	0	0	0	0	109.7	V24 K26 G222 E322	V24-T217 HydrophobicContact CG2-CG2 3.99Å; K26-T217 WeakPolarHBondContact CE-O 3.23Å; K26-T217 PolarHBondContact NZ-O 2.83Å; T217-G222 VanDerWaalsContact CG2-C 3.5Å; T217-E322 WeakPolarHBondContact CA-OE1 3.35Å; T217-E322 WeakPolarHBondContact CB-OE1 3.42Å; T217-E322 PolarHBondContact N-OE1 3Å; T217-E322 PolarHBondContact OG1-OE1 2.77Å
218	V	94.3	Very high	95.5	Very high	28 Å²	28	41.5 Å²	41.5	17%	0.17	26%	0.256	C	S	.	.			trans	-70.1	127.7	168.7	176.3	0	0	0	0	108.3	V99 F100 E220 V221 G222	V99-V218 HydrophobicContact CB-CG1 4.38Å; V99-V218 HydrophobicContact CG1-CG1 4Å; V99-V218 HydrophobicContact CG1-CG2 4.42Å; F100-V218 HydrophobicContact CD2-CG2 3.6Å; F100-V218 HydrophobicContact CE2-CG2 3.77Å; V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 2.73Å; V218-V221 HydrophobicContact CB-CB 4.06Å; V218-V221 HydrophobicContact CB-CG2 3.91Å; V218-V221 HydrophobicContact CG1-CG2 4Å; V218-V221 PolarHBondContact O-N 2.76Å; V218-G222 PolarHBondContact O-N 2.95Å
219	P	93.6	Very high	95.5	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.052	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-45.6	-175.7	-30.1	35.6	0	0	0	114.5	K26 I28 P31 V34 V221 G222	K26-P219 HydrophobicContact CD-CB 4.29Å; K26-P219 HydrophobicContact CD-CG 3.87Å; I28-P219 HydrophobicContact CD1-CB 3.83Å; I28-P219 HydrophobicContact CD1-CG 4.47Å; P31-P219 HydrophobicContact CB-CB 4.01Å; V34-P219 HydrophobicContact CG2-CB 4.27Å; V34-P219 HydrophobicContact CG2-CG 4.39Å; P219-V221 VanDerWaalsContact C-N 3.3Å; P219-V221 PolarHBondContact O-N 3.23Å; P219-G222 PolarHBondContact O-N 3.23Å
220	E	92.1	Very high	95.4	Very high	130 Å²	130	52.9 Å²	52.9	61%	0.607	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.3	-179.4	-62.7	-167.4	158.1	0	0	113.6	P31 V218	P31-E220 HydrophobicContact CB-CG 3.96Å; V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 2.73Å
221	V	91.3	Very high	95.3	Very high	86 Å²	86	56 Å²	56	52%	0.521	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-29.8	-179.3	178.8	0	0	0	0	111.2	V218 P219 K223	V218-V221 HydrophobicContact CB-CB 4.06Å; V218-V221 HydrophobicContact CB-CG2 3.91Å; V218-V221 HydrophobicContact CG1-CG2 4Å; V218-V221 PolarHBondContact O-N 2.76Å; P219-V221 VanDerWaalsContact C-N 3.3Å; P219-V221 PolarHBondContact O-N 3.23Å; V221-K223 HydrophobicContact CG1-CG 3.75Å; V221-K223 PolarHBondContact O-N 2.79Å; V221-K223 VanDerWaalsContact O-N 3.14Å
222	G	90.7	Very high	95.3	Very high	44 Å²	44	58.5 Å²	58.5	45%	0.454	34%	0.344	S	S	.	.			trans	72.9	-1.4	174.4	0	0	0	0	0	115.8	T217 V218 P219	T217-G222 VanDerWaalsContact CG2-C 3.5Å; V218-G222 PolarHBondContact O-N 2.95Å; P219-G222 PolarHBondContact O-N 3.23Å
223	K	91	Very high	95.3	Very high	140 Å²	140	58.5 Å²	58.5	61%	0.609	34%	0.344	S	S	*	.	S	Bend	trans	-136.8	159.1	176.4	60.2	176.7	179.6	-177.3	0	112	V221	V221-K223 HydrophobicContact CG1-CG 3.75Å; V221-K223 PolarHBondContact O-N 2.79Å; V221-K223 VanDerWaalsContact O-N 3.14Å
224	P	93.6	Very high	95.3	Very high	59 Å²	59	56 Å²	56	38%	0.383	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-57.4	141.7	176.1	-26.2	35.5	0	0	0	113	A216 F226	A216-P224 CarbonylContact O-C 3.57Å; A216-P224 WeakPolarHBondContact O-CA 3.42Å; P224-F226 VanDerWaalsContact C-N 3.26Å; P224-F226 WeakPolarHBondContact CB-O 3.45Å; P224-F226 PolarHBondContact O-N 2.83Å
225	G	92.1	Very high	95.3	Very high	64 Å²	64	53.5 Å²	53.5	66%	0.66	31%	0.313	S	S	*	.	S	Bend	trans	-64.5	-28.1	177.6	0	0	0	0	0	113.8	A216	A216-G225 PolarHBondContact O-N 2.79Å
226	F	96	Very high	95.4	Very high	23 Å²	23	53 Å²	53	10%	0.101	31%	0.308	C	S	.	.			trans	-148	163.9	169.4	65.7	-91.6	0	0	0	110.6	A212 G215 P224 L228 V237 M323	A212-F226 HydrophobicContact CB-CE2 4.24Å; A212-F226 HydrophobicContact CB-CZ 3.66Å; G215-F226 VanDerWaalsContact CA-CE1 3.43Å; P224-F226 VanDerWaalsContact C-N 3.26Å; P224-F226 WeakPolarHBondContact CB-O 3.45Å; P224-F226 PolarHBondContact O-N 2.83Å; F226-L228 HydrophobicContact CD2-CD2 4.39Å; F226-L228 HydrophobicContact CD2-CG 4.01Å; F226-L228 HydrophobicContact CE2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CG 3.87Å; F226-V237 HydrophobicContact CE1-CG1 3.8Å; F226-V237 HydrophobicContact CZ-CG1 4.01Å; F226-M323 HydrophobicContact CE1-CE 3.86Å; F226-M323 HydrophobicContact CZ-CE 4.41Å
227	V	96.6	Very high	95.4	Very high	110 Å²	110	53 Å²	53	67%	0.667	31%	0.307	S	S	*	.			trans	-127.7	135	176.8	-177.2	0	0	0	0	108.9	R247	V227-R247 PolarHBondContact O-NH1 3.19Å
228	L	97.1	Very high	95.4	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.094	30%	0.302	C	S	.	.			trans	-110.9	152	169.3	-62.2	176.5	0	0	0	108.2	F226 E232 E234 R247	F226-L228 HydrophobicContact CD2-CD2 4.39Å; F226-L228 HydrophobicContact CD2-CG 4.01Å; F226-L228 HydrophobicContact CE2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CG 3.87Å; L228-E232 HydrophobicContact CB-CB 3.98Å; L228-E234 HydrophobicContact CD1-CB 4.11Å; L228-E234 HydrophobicContact CD2-CB 4.06Å; L228-R247 HydrophobicContact CD2-CG 4.12Å
229	A	97.6	Very high	95.5	Very high	46 Å²	46	51 Å²	51	38%	0.38	30%	0.295	S	S	.	.			trans	-64.4	161.2	169.7	0	0	0	0	0	111.1	D231 E232	A229-D231 PolarHBondContact O-N 3.41Å; A229-D231 VanDerWaalsContact O-N 3.07Å; A229-E232 HydrophobicContact CB-CB 4.17Å; A229-E232 HydrophobicContact CB-CG 3.81Å; A229-E232 WeakPolarHBondContact CB-OE2 3.24Å; A229-E232 PolarHBondContact N-OE2 3.21Å; A229-E232 PolarHBondContact O-N 3.09Å
230	E	96.1	Very high	95.5	Very high	193 Å²	193	52.1 Å²	52.1	90%	0.902	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.7	-178.7	-65	-67.6	144	0	0	113.7
231	D	97.6	Very high	95.5	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	13.1	177.4	74.3	-33	0	0	0	113.5	A229 K249 I250	A229-D231 PolarHBondContact O-N 3.41Å; A229-D231 VanDerWaalsContact O-N 3.07Å; D231-K249 CarbonylContact O-C 3.43Å; D231-K249 WeakPolarHBondContact O-CA 3.04Å; D231-K249 WeakPolarHBondContact OD2-CE 3.31Å; D231-K249 IonicContact OD2-NZ 2.92Å; D231-K249 PolarHBondContact OD2-NZ 2.87Å; D231-I250 PolarHBondContact O-N 3.09Å
232	E	98.3	Very high	95.6	Very high	62 Å²	62	42.8 Å²	42.8	29%	0.29	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.3	-176.4	-77.6	179.2	162.9	0	0	114	L228 A229 E248	L228-E232 HydrophobicContact CB-CB 3.98Å; A229-E232 HydrophobicContact CB-CB 4.17Å; A229-E232 HydrophobicContact CB-CG 3.81Å; A229-E232 WeakPolarHBondContact CB-OE2 3.24Å; A229-E232 PolarHBondContact N-OE2 3.21Å; A229-E232 PolarHBondContact O-N 3.09Å; E232-E248 CarbonylContact C-O 3.52Å; E232-E248 VanDerWaalsContact CA-O 3.26Å; E232-E248 WeakPolarHBondContact CA-O 3.43Å
233	M	98.4	Very high	95.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160.3	166.4	63.6	174.9	-66.8	0	0	109.7	I211 A212 L213 F235 R247 E248 I250 K251 I256	I211-M233 HydrophobicContact CB-CE 4.04Å; I211-M233 HydrophobicContact CG2-CE 4.04Å; A212-M233 WeakPolarHBondContact O-CA 3.3Å; L213-M233 HydrophobicContact CD2-CB 3.82Å; M233-F235 HydrophobicContact CE-CD1 4.39Å; M233-F235 HydrophobicContact CE-CD2 3.88Å; M233-F235 HydrophobicContact CE-CE1 3.91Å; M233-F235 HydrophobicContact CE-CE2 3.31Å; M233-F235 HydrophobicContact CE-CG 4.38Å; M233-F235 HydrophobicContact CE-CZ 3.34Å; M233-F235 HydrophobicContact CG-CE2 4.4Å; M233-F235 HydrophobicContact SD-CE2 3.85Å; M233-F235 HydrophobicContact SD-CZ 4.14Å; M233-R247 WeakPolarHBondContact O-CA 3.46Å; M233-E248 HydrophobicContact CG-CG 4.4Å; M233-E248 PolarHBondContact N-O 3.03Å; M233-E248 PolarHBondContact O-N 3.11Å; M233-E248 VanDerWaalsContact O-O 3.14Å; M233-I250 HydrophobicContact CB-CG1 4.43Å; M233-K251 HydrophobicContact SD-CB 4.15Å; M233-K251 HydrophobicContact SD-CG 4.45Å; M233-I256 HydrophobicContact CE-CD1 3.8Å; M233-I256 HydrophobicContact CE-CG1 3.84Å; M233-I256 HydrophobicContact CE-CG2 4.42Å; M233-I256 HydrophobicContact SD-CD1 3.9Å; M233-I256 HydrophobicContact SD-CG1 4.01Å
234	E	98.4	Very high	96	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123	177.1	-169.8	169.4	173.3	0	0	111.2	I211 A212 L228 V237 G244 R246 R247	I211-E234 CarbonylContact C-O 3.57Å; I211-E234 WeakPolarHBondContact CA-O 3.4Å; A212-E234 PolarHBondContact N-O 2.72Å; A212-E234 PolarHBondContact O-N 2.95Å; L228-E234 HydrophobicContact CD1-CB 4.11Å; L228-E234 HydrophobicContact CD2-CB 4.06Å; E234-V237 HydrophobicContact CB-CG2 3.56Å; E234-V237 HydrophobicContact CG-CG2 3.47Å; E234-V237 VanDerWaalsContact CG-CG2 3.47Å; E234-G244 PolarHBondContact OE1-N 2.79Å; E234-R246 WeakPolarHBondContact CA-O 3.25Å; E234-R247 HydrophobicContact CB-CG 3.98Å; E234-R247 HydrophobicContact CG-CG 3.66Å; E234-R247 IonicContact OE1-NE 3.77Å; E234-R247 IonicContact OE2-CZ 3.23Å; E234-R247 VanDerWaalsContact OE2-CZ 3.23Å; E234-R247 IonicContact OE2-NE 2.74Å; E234-R247 PolarHBondContact OE2-NE 3.39Å; E234-R247 IonicContact OE2-NH2 2.94Å; E234-R247 PolarHBondContact OE2-NH2 3.27Å
235	F	98.2	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.1	175.3	-75.5	-90.7	0	0	0	111.2	I211 M233 G244 Y245 R246 E248 K251 I256 E259 I260	I211-F235 HydrophobicContact CG2-CD1 3.28Å; I211-F235 HydrophobicContact CG2-CE1 3.56Å; I211-F235 HydrophobicContact CG2-CG 4Å; I211-F235 HydrophobicContact CG2-CZ 4.45Å; M233-F235 HydrophobicContact CE-CD1 4.39Å; M233-F235 HydrophobicContact CE-CD2 3.88Å; M233-F235 HydrophobicContact CE-CE1 3.91Å; M233-F235 HydrophobicContact CE-CE2 3.31Å; M233-F235 HydrophobicContact CE-CG 4.38Å; M233-F235 HydrophobicContact CE-CZ 3.34Å; M233-F235 HydrophobicContact CG-CE2 4.4Å; M233-F235 HydrophobicContact SD-CE2 3.85Å; M233-F235 HydrophobicContact SD-CZ 4.14Å; F235-G244 CarbonylContact O-C 3.52Å; F235-G244 WeakPolarHBondContact O-CA 3.26Å; F235-Y245 HydrophobicContact CB-CD2 4.42Å; F235-Y245 HydrophobicContact CB-CE1 3.93Å; F235-Y245 HydrophobicContact CB-CE2 3.7Å; F235-Y245 VanDerWaalsContact CB-CZ 3.44Å; F235-Y245 WeakPolarHBondContact CB-OH 3.22Å; F235-Y245 PolarHBondContact O-N 3.42Å; F235-R246 PolarHBondContact N-O 2.92Å; F235-E248 HydrophobicContact CD2-CG 4.34Å; F235-E248 VanDerWaalsContact CD2-OE1 3.25Å; F235-E248 WeakPolarHBondContact CD2-OE1 3.46Å; F235-E248 HydrophobicContact CE2-CG 4.16Å; F235-E248 WeakPolarHBondContact CE2-OE1 3.46Å; F235-K251 HydrophobicContact CE2-CD 4.3Å; F235-K251 HydrophobicContact CZ-CD 4.31Å; F235-I256 HydrophobicContact CE1-CG2 4.08Å; F235-I256 HydrophobicContact CZ-CB 4.48Å; F235-I256 HydrophobicContact CZ-CG1 4.26Å; F235-I256 HydrophobicContact CZ-CG2 4.38Å; F235-E259 HydrophobicContact CD1-CG 4.04Å; F235-E259 WeakPolarHBondContact CD1-OE1 3.47Å; F235-E259 VanDerWaalsContact CD2-OE1 3.3Å; F235-E259 WeakPolarHBondContact CD2-OE1 3.45Å; F235-E259 HydrophobicContact CE1-CB 3.92Å; F235-E259 VanDerWaalsContact CE1-CD 3.43Å; F235-E259 HydrophobicContact CE1-CG 3.74Å; F235-E259 WeakPolarHBondContact CE2-OE2 3.29Å; F235-E259 VanDerWaalsContact CG-OE1 3.25Å; F235-E259 WeakPolarHBondContact CG-OE1 3.12Å; F235-E259 HydrophobicContact CZ-CB 4.15Å; F235-E259 HydrophobicContact CZ-CG 4.09Å; F235-E259 WeakPolarHBondContact CZ-OE2 3.49Å; F235-I260 HydrophobicContact CD1-CG1 4.37Å; F235-I260 HydrophobicContact CE1-CG1 4.22Å
236	G	97.1	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	18.1	176.4	0	0	0	0	0	114.7	A159 R170 G210 G238 G244	A159-G236 VanDerWaalsContact CB-CA 3.4Å; R170-G236 PolarHBondContact NH1-O 2.69Å; R170-G236 PolarHBondContact NH2-O 2.89Å; G210-G236 WeakPolarHBondContact O-CA 3.48Å; G210-G236 PolarHBondContact O-N 2.86Å; G236-G238 PolarHBondContact O-N 2.66Å; G236-G244 VanDerWaalsContact C-CA 3.4Å; G236-G244 VanDerWaalsContact O-CA 3.23Å; G236-G244 WeakPolarHBondContact O-CA 3.36Å
237	V	96.9	Very high	96.4	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	24%	0.237	C	C	.	.			trans	-64	134.8	175	176.4	0	0	0	0	109.9	A212 F226 E234 E242 M323	A212-V237 HydrophobicContact CB-CB 3.78Å; A212-V237 HydrophobicContact CB-CG1 3.93Å; A212-V237 HydrophobicContact CB-CG2 3.76Å; F226-V237 HydrophobicContact CE1-CG1 3.8Å; F226-V237 HydrophobicContact CZ-CG1 4.01Å; E234-V237 HydrophobicContact CB-CG2 3.56Å; E234-V237 HydrophobicContact CG-CG2 3.47Å; E234-V237 VanDerWaalsContact CG-CG2 3.47Å; V237-E242 WeakPolarHBondContact CA-O 3.47Å; V237-M323 HydrophobicContact CG1-CE 4.13Å; V237-M323 HydrophobicContact CG1-SD 4.07Å
238	G	95.5	Very high	96.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	22%	0.215	C	C	.	.			trans	-80.7	169.1	179.3	0	0	0	0	0	112.8	R170 G236 H240 G241 E242	R170-G238 VanDerWaalsContact CZ-CA 3.49Å; R170-G238 VanDerWaalsContact NH1-CA 3.32Å; G236-G238 PolarHBondContact O-N 2.66Å; G238-H240 PolarHBondContact O-N 3.11Å; G238-G241 PolarHBondContact O-N 2.92Å; G238-E242 WeakPolarHBondContact CA-OE2 3.43Å; G238-E242 PolarHBondContact N-O 2.63Å; G238-E242 VanDerWaalsContact N-O 3.07Å
239	I	96.5	Very high	96.4	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.4	-176.5	60.3	171	0	0	0	112.9	H78 K126 Y128 V172 E242 M283 M318 S320	H78-I239 PolarHBondContact CE1-O 2.97Å; K126-I239 HydrophobicContact CD-CD1 4.17Å; Y128-I239 HydrophobicContact CE2-CD1 3.88Å; Y128-I239 HydrophobicContact CE2-CG1 4.02Å; Y128-I239 VanDerWaalsContact OH-CG1 3.3Å; Y128-I239 WeakPolarHBondContact OH-CG1 3.38Å; V172-I239 HydrophobicContact CB-CG2 4.04Å; V172-I239 HydrophobicContact CG1-CG1 4.4Å; V172-I239 HydrophobicContact CG1-CG2 3.85Å; I239-E242 PolarHBondContact N-OE2 2.84Å; I239-M283 HydrophobicContact CG2-CE 4.11Å; I239-M318 HydrophobicContact CD1-SD 3.89Å; I239-M318 HydrophobicContact CG2-CG 4.44Å; I239-M318 HydrophobicContact CG2-SD 4.14Å; I239-S320 WeakPolarHBondContact O-CB 3.37Å; I239-S320 PolarHBondContact O-OG 3.06Å
240	H	93.6	Very high	96.4	Very high	32 Å²	32	51 Å²	51	15%	0.148	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	10.6	172.1	-43.5	120.9	0	0	0	112.7	H78 F100 Y128 G238 E242	H78-H240 AromaticContact CE1-CD2 3.5Å; H78-H240 AromaticContact CE1-NE2 3.92Å; H78-H240 AromaticContact NE2-CD2 3.17Å; H78-H240 PolarHBondContact NE2-CD2 3.04Å; H78-H240 AromaticContact NE2-NE2 3.21Å; H78-H240 PolarHBondContact NE2-NE2 3.31Å; F100-H240 HydrophobicContact CB-CB 4.28Å; F100-H240 AromaticContact CD1-CD2 3.65Å; F100-H240 HydrophobicContact CD2-CB 4.27Å; F100-H240 HydrophobicContact CG-CB 4.18Å; F100-H240 AromaticContact CG-CD2 3.78Å; Y128-H240 AromaticContact CD1-CE1 3.62Å; Y128-H240 AromaticContact CD1-ND1 3.78Å; Y128-H240 AromaticContact CD2-CE1 3.65Å; Y128-H240 AromaticContact CE1-CE1 3.49Å; Y128-H240 VanDerWaalsContact CE1-CE1 3.49Å; Y128-H240 WeakPolarHBondContact CE1-CE1 3.4Å; Y128-H240 AromaticContact CE1-ND1 3.37Å; Y128-H240 WeakPolarHBondContact CE1-ND1 3.34Å; Y128-H240 AromaticContact CE2-CE1 3.48Å; Y128-H240 VanDerWaalsContact CE2-CE1 3.48Å; Y128-H240 WeakPolarHBondContact CE2-CE1 3.32Å; Y128-H240 AromaticContact CG-CE1 3.7Å; Y128-H240 AromaticContact CZ-CE1 3.41Å; Y128-H240 VanDerWaalsContact CZ-CE1 3.41Å; Y128-H240 AromaticContact CZ-ND1 3.53Å; G238-H240 PolarHBondContact O-N 3.11Å; H240-E242 WeakPolarHBondContact CA-OE2 3.09Å; H240-E242 WeakPolarHBondContact CB-OE1 3.23Å; H240-E242 IonicContact CE1-OE1 3.09Å; H240-E242 IonicContact CG-OE1 3.08Å; H240-E242 PolarHBondContact N-OE2 2.94Å; H240-E242 IonicContact ND1-OE1 3.99Å; H240-E242 PolarHBondContact ND1-OE1 2.99Å
241	G	92.5	Very high	96.5	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	21%	0.212	C	C	.	.			trans	81.2	21.2	-176	0	0	0	0	0	113.8	G238	G238-G241 PolarHBondContact O-N 2.92Å
242	E	94.1	Very high	96.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.212	C	C	.	.			trans	-58.5	141	171.1	-61.6	90.3	159.8	0	0	110.5	Y128 Y165 V237 G238 I239 H240 G244	Y128-E242 WeakPolarHBondContact CE1-OE1 3.32Å; Y165-E242 HydrophobicContact CD2-CG 3.4Å; Y165-E242 WeakPolarHBondContact CD2-OE1 3.43Å; Y165-E242 HydrophobicContact CE2-CG 3.68Å; V237-E242 WeakPolarHBondContact CA-O 3.47Å; G238-E242 WeakPolarHBondContact CA-OE2 3.43Å; G238-E242 PolarHBondContact N-O 2.63Å; G238-E242 VanDerWaalsContact N-O 3.07Å; I239-E242 PolarHBondContact N-OE2 2.84Å; H240-E242 WeakPolarHBondContact CA-OE2 3.09Å; H240-E242 WeakPolarHBondContact CB-OE1 3.23Å; H240-E242 IonicContact CE1-OE1 3.09Å; H240-E242 IonicContact CG-OE1 3.08Å; H240-E242 PolarHBondContact N-OE2 2.94Å; H240-E242 IonicContact ND1-OE1 3.99Å; H240-E242 PolarHBondContact ND1-OE1 2.99Å; E242-G244 PolarHBondContact O-N 3.43Å
243	P	94.6	Very high	96.5	Very high	73 Å²	73	41 Å²	41	47%	0.474	21%	0.208	S	C	.	.			trans	-57.4	142.4	178.9	25.7	-34.4	0	0	0	111
244	G	95.5	Very high	96.5	Very high	19 Å²	19	46.1 Å²	46.1	20%	0.196	23%	0.231	C	C	.	.			trans	-87.5	-167.4	172.5	0	0	0	0	0	112.5	E234 F235 G236 E242	E234-G244 PolarHBondContact OE1-N 2.79Å; F235-G244 CarbonylContact O-C 3.52Å; F235-G244 WeakPolarHBondContact O-CA 3.26Å; G236-G244 VanDerWaalsContact C-CA 3.4Å; G236-G244 VanDerWaalsContact O-CA 3.23Å; G236-G244 WeakPolarHBondContact O-CA 3.36Å; E242-G244 PolarHBondContact O-N 3.43Å
245	Y	95.3	Very high	96.6	Very high	77 Å²	77	50.7 Å²	50.7	30%	0.302	25%	0.252	S	S	.	.	S	Bend	trans	-93	-17.2	-177.4	59.4	-96.7	0	0	0	113.4	A159 V209 F235 K263	A159-Y245 HydrophobicContact CB-CD1 3.93Å; A159-Y245 HydrophobicContact CB-CE1 3.94Å; A159-Y245 VanDerWaalsContact O-CD1 3.28Å; A159-Y245 WeakPolarHBondContact O-CD1 3.37Å; V209-Y245 HydrophobicContact CG1-CE1 4.22Å; F235-Y245 HydrophobicContact CB-CD2 4.42Å; F235-Y245 HydrophobicContact CB-CE1 3.93Å; F235-Y245 HydrophobicContact CB-CE2 3.7Å; F235-Y245 VanDerWaalsContact CB-CZ 3.44Å; F235-Y245 WeakPolarHBondContact CB-OH 3.22Å; F235-Y245 PolarHBondContact O-N 3.42Å; Y245-K263 HydrophobicContact CE1-CD 3.89Å
246	R	96.3	Very high	96.6	Very high	107 Å²	107	51.5 Å²	51.5	40%	0.404	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	124.9	-179.8	-176.3	161.9	67	-150.5	11.9	112.8	E234 F235 E248 E259	E234-R246 WeakPolarHBondContact CA-O 3.25Å; F235-R246 PolarHBondContact N-O 2.92Å; R246-E248 HydrophobicContact CG-CB 4.48Å; R246-E248 IonicContact CZ-OE1 3.5Å; R246-E248 IonicContact NE-OE1 2.86Å; R246-E248 PolarHBondContact NE-OE1 3.32Å; R246-E248 IonicContact NE-OE2 2.72Å; R246-E248 IonicContact NH2-OE1 3.48Å; R246-E259 IonicContact CZ-OE1 3.52Å; R246-E259 IonicContact CZ-OE2 2.76Å; R246-E259 IonicContact NE-OE1 2.99Å; R246-E259 IonicContact NH2-OE1 3.65Å; R246-E259 PolarHBondContact NH2-OE1 2.96Å; R246-E259 IonicContact NH2-OE2 3.54Å; R246-E259 PolarHBondContact NH2-OE2 2.8Å
247	R	97.5	Very high	96.7	Very high	120 Å²	120	51.5 Å²	51.5	45%	0.453	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.1	161	-67.4	-177.5	-178.5	-158.4	-8.5	109.8	V227 L228 M233 E234	V227-R247 PolarHBondContact O-NH1 3.19Å; L228-R247 HydrophobicContact CD2-CG 4.12Å; M233-R247 WeakPolarHBondContact O-CA 3.46Å; E234-R247 HydrophobicContact CB-CG 3.98Å; E234-R247 HydrophobicContact CG-CG 3.66Å; E234-R247 IonicContact OE1-NE 3.77Å; E234-R247 IonicContact OE2-CZ 3.23Å; E234-R247 VanDerWaalsContact OE2-CZ 3.23Å; E234-R247 IonicContact OE2-NE 2.74Å; E234-R247 PolarHBondContact OE2-NE 3.39Å; E234-R247 IonicContact OE2-NH2 2.94Å; E234-R247 PolarHBondContact OE2-NH2 3.27Å
248	E	97.2	Very high	96.7	Very high	46 Å²	46	55.4 Å²	55.4	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-179.7	175.7	62.5	-173.1	141	0	0	111.5	E232 M233 F235 R246 K251	E232-E248 CarbonylContact C-O 3.52Å; E232-E248 VanDerWaalsContact CA-O 3.26Å; E232-E248 WeakPolarHBondContact CA-O 3.43Å; M233-E248 HydrophobicContact CG-CG 4.4Å; M233-E248 PolarHBondContact N-O 3.03Å; M233-E248 PolarHBondContact O-N 3.11Å; M233-E248 VanDerWaalsContact O-O 3.14Å; F235-E248 HydrophobicContact CD2-CG 4.34Å; F235-E248 VanDerWaalsContact CD2-OE1 3.25Å; F235-E248 WeakPolarHBondContact CD2-OE1 3.46Å; F235-E248 HydrophobicContact CE2-CG 4.16Å; F235-E248 WeakPolarHBondContact CE2-OE1 3.46Å; R246-E248 HydrophobicContact CG-CB 4.48Å; R246-E248 IonicContact CZ-OE1 3.5Å; R246-E248 IonicContact NE-OE1 2.86Å; R246-E248 PolarHBondContact NE-OE1 3.32Å; R246-E248 IonicContact NE-OE2 2.72Å; R246-E248 IonicContact NH2-OE1 3.48Å; E248-K251 IonicContact OE1-NZ 2.71Å; E248-K251 PolarHBondContact OE1-NZ 3.1Å; E248-K251 WeakPolarHBondContact OE2-CE 3.17Å; E248-K251 IonicContact OE2-NZ 3.67Å; E248-K251 PolarHBondContact OE2-NZ 2.83Å
249	K	98.2	Very high	96.8	Very high	141 Å²	141	56.8 Å²	56.8	61%	0.613	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	148.8	177.9	-67.9	-167	172.6	-145.1	0	112	D231 K251	D231-K249 CarbonylContact O-C 3.43Å; D231-K249 WeakPolarHBondContact O-CA 3.04Å; D231-K249 WeakPolarHBondContact OD2-CE 3.31Å; D231-K249 IonicContact OD2-NZ 2.92Å; D231-K249 PolarHBondContact OD2-NZ 2.87Å; K249-K251 PolarHBondContact O-N 2.9Å
250	I	97.4	Very high	96.9	Very high	95 Å²	95	56.6 Å²	56.6	49%	0.487	28%	0.279	S	S	.	.			trans	-52.4	130.4	173.9	-66.7	169.4	0	0	0	109.8	D231 M233	D231-I250 PolarHBondContact O-N 3.09Å; M233-I250 HydrophobicContact CB-CG1 4.43Å
251	K	96.9	Very high	97.1	Very high	48 Å²	48	55.2 Å²	55.2	21%	0.209	27%	0.273	C	S	.	.			trans	-109.2	162.9	178.8	-73.1	175.2	175.3	166.9	0	111.3	M233 F235 E248 K249 E255 I256 E259	M233-K251 HydrophobicContact SD-CB 4.15Å; M233-K251 HydrophobicContact SD-CG 4.45Å; F235-K251 HydrophobicContact CE2-CD 4.3Å; F235-K251 HydrophobicContact CZ-CD 4.31Å; E248-K251 IonicContact OE1-NZ 2.71Å; E248-K251 PolarHBondContact OE1-NZ 3.1Å; E248-K251 WeakPolarHBondContact OE2-CE 3.17Å; E248-K251 IonicContact OE2-NZ 3.67Å; E248-K251 PolarHBondContact OE2-NZ 2.83Å; K249-K251 PolarHBondContact O-N 2.9Å; K251-E255 HydrophobicContact CB-CB 4.03Å; K251-E255 HydrophobicContact CD-CB 4.2Å; K251-E255 HydrophobicContact CG-CB 4.46Å; K251-I256 HydrophobicContact CB-CG1 3.88Å; K251-E259 IonicContact NZ-OE2 2.67Å; K251-E259 PolarHBondContact NZ-OE2 3.38Å
252	G	98.2	Very high	97.3	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	28%	0.284	S	S	.	.			trans	-65.9	151.5	167.8	0	0	0	0	0	111.5	K254 E255 I256	G252-K254 PolarHBondContact O-N 2.92Å; G252-K254 VanDerWaalsContact O-N 3.15Å; G252-E255 PolarHBondContact N-OE2 3.48Å; G252-E255 PolarHBondContact O-N 2.85Å; G252-I256 WeakPolarHBondContact O-CG1 3.25Å; G252-I256 PolarHBondContact O-N 2.95Å
253	S	98.8	Very high	97.3	Very high	31 Å²	31	59.7 Å²	59.7	22%	0.217	30%	0.299	C	S	.	.	H	α-helix	trans	-50	-41.5	179	168.6	0	0	0	0	113	E255 I256 A257 L294 D297	S253-E255 PolarHBondContact O-N 3.42Å; S253-I256 WeakPolarHBondContact O-CB 3.43Å; S253-I256 PolarHBondContact O-N 3.17Å; S253-A257 WeakPolarHBondContact O-CB 3.37Å; S253-A257 PolarHBondContact O-N 3.28Å; S253-L294 WeakPolarHBondContact OG-CA 3.38Å; S253-D297 VanDerWaalsContact C-OD2 3.31Å; S253-D297 WeakPolarHBondContact CB-OD2 3.39Å; S253-D297 PolarHBondContact OG-OD2 2.82Å
254	K	98.7	Very high	97.4	Very high	108 Å²	108	56.2 Å²	56.2	47%	0.47	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-47.8	176.8	-170.3	-175.9	-176.3	-159.5	0	112.7	G252 I256 A257 E258 D297	G252-K254 PolarHBondContact O-N 2.92Å; G252-K254 VanDerWaalsContact O-N 3.15Å; K254-I256 VanDerWaalsContact C-N 3.33Å; K254-I256 PolarHBondContact O-N 2.96Å; K254-A257 PolarHBondContact O-N 3.43Å; K254-E258 WeakPolarHBondContact CE-OE1 3.5Å; K254-E258 IonicContact NZ-OE1 3.51Å; K254-E258 WeakPolarHBondContact O-CB 3.25Å; K254-E258 VanDerWaalsContact O-CG 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.42Å; K254-E258 PolarHBondContact O-N 2.93Å; K254-D297 HydrophobicContact CB-CB 4.47Å; K254-D297 PolarHBondContact N-OD2 3.41Å
255	E	98.6	Very high	97.3	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-36.1	179.5	-65.1	171.8	87.5	0	0	111.4	K251 G252 S253 E258 E259	K251-E255 HydrophobicContact CB-CB 4.03Å; K251-E255 HydrophobicContact CD-CB 4.2Å; K251-E255 HydrophobicContact CG-CB 4.46Å; G252-E255 PolarHBondContact N-OE2 3.48Å; G252-E255 PolarHBondContact O-N 2.85Å; S253-E255 PolarHBondContact O-N 3.42Å; E255-E258 PolarHBondContact O-N 3.27Å; E255-E259 WeakPolarHBondContact O-CB 3.16Å; E255-E259 PolarHBondContact O-N 2.91Å
256	I	98.7	Very high	97.1	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.082	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-47	173.5	-63	175.9	0	0	0	110.3	I211 M233 F235 K251 G252 S253 K254 E259 I260 L294	I211-I256 HydrophobicContact CG1-CG2 4.25Å; I211-I256 HydrophobicContact CG2-CG2 4.15Å; M233-I256 HydrophobicContact CE-CD1 3.8Å; M233-I256 HydrophobicContact CE-CG1 3.84Å; M233-I256 HydrophobicContact CE-CG2 4.42Å; M233-I256 HydrophobicContact SD-CD1 3.9Å; M233-I256 HydrophobicContact SD-CG1 4.01Å; F235-I256 HydrophobicContact CE1-CG2 4.08Å; F235-I256 HydrophobicContact CZ-CB 4.48Å; F235-I256 HydrophobicContact CZ-CG1 4.26Å; F235-I256 HydrophobicContact CZ-CG2 4.38Å; K251-I256 HydrophobicContact CB-CG1 3.88Å; G252-I256 WeakPolarHBondContact O-CG1 3.25Å; G252-I256 PolarHBondContact O-N 2.95Å; S253-I256 WeakPolarHBondContact O-CB 3.43Å; S253-I256 PolarHBondContact O-N 3.17Å; K254-I256 VanDerWaalsContact C-N 3.33Å; K254-I256 PolarHBondContact O-N 2.96Å; I256-E259 PolarHBondContact O-N 2.93Å; I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CG1 3.38Å; I256-I260 PolarHBondContact O-N 2.96Å; I256-L294 HydrophobicContact CG2-CD1 4.18Å
257	A	98.8	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-42.8	177.9	0	0	0	0	0	111.9	S253 K254 E259 I260 I261 L294 D297 A298 I301	S253-A257 WeakPolarHBondContact O-CB 3.37Å; S253-A257 PolarHBondContact O-N 3.28Å; K254-A257 PolarHBondContact O-N 3.43Å; A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 PolarHBondContact O-N 3.12Å; A257-I260 PolarHBondContact O-N 2.74Å; A257-I261 VanDerWaalsContact O-CB 3.26Å; A257-I261 WeakPolarHBondContact O-CB 3.46Å; A257-I261 WeakPolarHBondContact O-CG1 3.38Å; A257-I261 PolarHBondContact O-N 3.45Å; A257-L294 HydrophobicContact CB-CD1 4.04Å; A257-D297 HydrophobicContact CB-CB 3.98Å; A257-A298 HydrophobicContact CB-CB 4.28Å; A257-I301 HydrophobicContact CB-CD1 3.55Å
258	E	98.4	Very high	96.6	Very high	88 Å²	88	52.6 Å²	52.6	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-57.9	-43.4	176.3	-77.4	171.8	179.7	0	0	111.3	K254 E255 G262 I301	K254-E258 WeakPolarHBondContact CE-OE1 3.5Å; K254-E258 IonicContact NZ-OE1 3.51Å; K254-E258 WeakPolarHBondContact O-CB 3.25Å; K254-E258 VanDerWaalsContact O-CG 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.42Å; K254-E258 PolarHBondContact O-N 2.93Å; E255-E258 PolarHBondContact O-N 3.27Å; E258-G262 WeakPolarHBondContact O-CA 3.38Å; E258-G262 PolarHBondContact O-N 3.26Å; E258-I301 HydrophobicContact CB-CD1 4.3Å; E258-I301 HydrophobicContact CG-CD1 3.63Å; E258-I301 HydrophobicContact CG-CG1 4.15Å
259	E	97.5	Very high	96.1	Very high	29 Å²	29	57.7 Å²	57.7	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-49.9	178.1	178.8	163.2	163.3	0	0	112.4	F235 R246 K251 E255 I256 A257 G262 K263	F235-E259 HydrophobicContact CD1-CG 4.04Å; F235-E259 WeakPolarHBondContact CD1-OE1 3.47Å; F235-E259 VanDerWaalsContact CD2-OE1 3.3Å; F235-E259 WeakPolarHBondContact CD2-OE1 3.45Å; F235-E259 HydrophobicContact CE1-CB 3.92Å; F235-E259 VanDerWaalsContact CE1-CD 3.43Å; F235-E259 HydrophobicContact CE1-CG 3.74Å; F235-E259 WeakPolarHBondContact CE2-OE2 3.29Å; F235-E259 VanDerWaalsContact CG-OE1 3.25Å; F235-E259 WeakPolarHBondContact CG-OE1 3.12Å; F235-E259 HydrophobicContact CZ-CB 4.15Å; F235-E259 HydrophobicContact CZ-CG 4.09Å; F235-E259 WeakPolarHBondContact CZ-OE2 3.49Å; R246-E259 IonicContact CZ-OE1 3.52Å; R246-E259 IonicContact CZ-OE2 2.76Å; R246-E259 IonicContact NE-OE1 2.99Å; R246-E259 IonicContact NH2-OE1 3.65Å; R246-E259 PolarHBondContact NH2-OE1 2.96Å; R246-E259 IonicContact NH2-OE2 3.54Å; R246-E259 PolarHBondContact NH2-OE2 2.8Å; K251-E259 IonicContact NZ-OE2 2.67Å; K251-E259 PolarHBondContact NZ-OE2 3.38Å; E255-E259 WeakPolarHBondContact O-CB 3.16Å; E255-E259 PolarHBondContact O-N 2.91Å; I256-E259 PolarHBondContact O-N 2.93Å; A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 PolarHBondContact O-N 3.12Å; E259-G262 PolarHBondContact O-N 3.16Å; E259-K263 PolarHBondContact O-N 2.94Å
260	I	98.2	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-50.9	-179	-67.1	168.5	0	0	0	110.8	V209 I211 F235 I256 A257 G262 K263 I264 I328	V209-I260 HydrophobicContact CB-CB 4.46Å; V209-I260 HydrophobicContact CB-CG1 4.33Å; V209-I260 HydrophobicContact CB-CG2 3.72Å; V209-I260 HydrophobicContact CG1-CG1 4.1Å; V209-I260 HydrophobicContact CG1-CG2 4.4Å; V209-I260 HydrophobicContact CG2-CG2 4.32Å; I211-I260 HydrophobicContact CG2-CD1 3.84Å; I211-I260 HydrophobicContact CG2-CG1 4.32Å; F235-I260 HydrophobicContact CD1-CG1 4.37Å; F235-I260 HydrophobicContact CE1-CG1 4.22Å; I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CG1 3.38Å; I256-I260 PolarHBondContact O-N 2.96Å; A257-I260 PolarHBondContact O-N 2.74Å; I260-G262 VanDerWaalsContact C-N 3.28Å; I260-G262 PolarHBondContact O-N 3.45Å; I260-K263 PolarHBondContact O-N 3.05Å; I260-K263 VanDerWaalsContact O-N 3.17Å; I260-I264 HydrophobicContact CG2-CD1 3.77Å; I260-I264 HydrophobicContact CG2-CG1 4.48Å; I260-I264 WeakPolarHBondContact O-CG1 3.28Å; I260-I264 PolarHBondContact O-N 3.13Å; I260-I328 HydrophobicContact CB-CD1 4.2Å; I260-I328 HydrophobicContact CD1-CD1 3.95Å; I260-I328 HydrophobicContact CD1-CG1 4.17Å; I260-I328 HydrophobicContact CG2-CB 3.64Å; I260-I328 HydrophobicContact CG2-CD1 4Å; I260-I328 HydrophobicContact CG2-CG1 4.19Å; I260-I328 HydrophobicContact CG2-CG2 4.21Å
261	I	97.8	Very high	95.5	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-38	179.8	-63.3	-66	0	0	0	110.2	A257 K263 I264 K265 W270 A298 I301 L302 I328 L330	A257-I261 VanDerWaalsContact O-CB 3.26Å; A257-I261 WeakPolarHBondContact O-CB 3.46Å; A257-I261 WeakPolarHBondContact O-CG1 3.38Å; A257-I261 PolarHBondContact O-N 3.45Å; I261-K263 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.12Å; I261-I264 PolarHBondContact O-N 2.98Å; I261-K265 VanDerWaalsContact O-CB 3.26Å; I261-K265 WeakPolarHBondContact O-CB 3.47Å; I261-K265 PolarHBondContact O-N 3.04Å; I261-W270 HydrophobicContact CG2-CH2 3.97Å; I261-W270 HydrophobicContact CG2-CZ2 4.44Å; I261-A298 HydrophobicContact CD1-CB 4.44Å; I261-A298 HydrophobicContact CG1-CB 4.44Å; I261-I301 HydrophobicContact CB-CG2 4.2Å; I261-I301 HydrophobicContact CG2-CG2 3.8Å; I261-L302 HydrophobicContact CD1-CD1 4.45Å; I261-L302 HydrophobicContact CD1-CD2 4.27Å; I261-L302 HydrophobicContact CD1-CG 4.32Å; I261-L302 HydrophobicContact CG2-CD2 4.15Å; I261-I328 HydrophobicContact CD1-CG2 3.96Å; I261-L330 HydrophobicContact CD1-CD1 3.98Å; I261-L330 HydrophobicContact CD1-CD2 4.48Å; I261-L330 HydrophobicContact CD1-CG 4.37Å
262	G	96.1	Very high	95.3	Very high	41 Å²	41	57.2 Å²	57.2	42%	0.423	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-40.1	173.9	0	0	0	0	0	113.1	E258 E259 I260 K265 G266	E258-G262 WeakPolarHBondContact O-CA 3.38Å; E258-G262 PolarHBondContact O-N 3.26Å; E259-G262 PolarHBondContact O-N 3.16Å; I260-G262 VanDerWaalsContact C-N 3.28Å; I260-G262 PolarHBondContact O-N 3.45Å; G262-K265 WeakPolarHBondContact O-CB 3.12Å; G262-G266 PolarHBondContact O-N 3.49Å
263	K	95.4	Very high	95.2	Very high	72 Å²	72	57.7 Å²	57.7	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-44.2	175.2	-158.4	175.7	-160.4	-63.4	0	111.6	I158 A159 V209 Y245 E259 I260 I261 K265 G266	I158-K263 HydrophobicContact CD1-CG 4.35Å; I158-K263 PolarHBondContact O-NZ 3.39Å; A159-K263 PolarHBondContact O-NZ 3.33Å; V209-K263 HydrophobicContact CG2-CB 4.45Å; V209-K263 HydrophobicContact CG2-CD 4.18Å; Y245-K263 HydrophobicContact CE1-CD 3.89Å; E259-K263 PolarHBondContact O-N 2.94Å; I260-K263 PolarHBondContact O-N 3.05Å; I260-K263 VanDerWaalsContact O-N 3.17Å; I261-K263 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.12Å; K263-K265 VanDerWaalsContact C-N 3.33Å; K263-K265 PolarHBondContact O-N 3.07Å; K263-G266 PolarHBondContact O-N 3.06Å; K263-G266 VanDerWaalsContact O-N 3.09Å
264	I	96.5	Very high	95.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-38.1	177.6	-65.4	169.8	0	0	0	111.5	I158 K207 V209 I260 I261 G266 E267 F268 W270 I328 L330	I158-I264 HydrophobicContact CD1-CB 4.17Å; I158-I264 HydrophobicContact CD1-CG1 3.68Å; I158-I264 HydrophobicContact CG1-CG1 4.48Å; K207-I264 HydrophobicContact CB-CG1 4.29Å; K207-I264 HydrophobicContact CB-CG2 3.86Å; V209-I264 HydrophobicContact CG2-CD1 4.46Å; V209-I264 HydrophobicContact CG2-CG1 4.03Å; I260-I264 HydrophobicContact CG2-CD1 3.77Å; I260-I264 HydrophobicContact CG2-CG1 4.48Å; I260-I264 WeakPolarHBondContact O-CG1 3.28Å; I260-I264 PolarHBondContact O-N 3.13Å; I261-I264 PolarHBondContact O-N 2.98Å; I264-G266 PolarHBondContact O-N 3.23Å; I264-E267 WeakPolarHBondContact O-CB 3.42Å; I264-E267 PolarHBondContact O-N 2.94Å; I264-F268 HydrophobicContact CG2-CD2 3.45Å; I264-F268 VanDerWaalsContact CG2-CD2 3.45Å; I264-F268 HydrophobicContact CG2-CE2 3.58Å; I264-F268 PolarHBondContact O-N 3.07Å; I264-W270 HydrophobicContact CG2-CZ3 4.33Å; I264-I328 HydrophobicContact CD1-CG2 4.3Å; I264-L330 HydrophobicContact CB-CD1 4.45Å; I264-L330 HydrophobicContact CD1-CG 4.28Å; I264-L330 HydrophobicContact CG2-CB 4.1Å; I264-L330 HydrophobicContact CG2-CD1 3.69Å; I264-L330 HydrophobicContact CG2-CG 4.15Å
265	K	93.5	Very high	95.1	Very high	83 Å²	83	55.6 Å²	55.6	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-57.2	-35.1	171.7	-177.4	174.8	176.4	175.3	0	112.3	I261 G262 K263 E267 F268 W270 E305	I261-K265 VanDerWaalsContact O-CB 3.26Å; I261-K265 WeakPolarHBondContact O-CB 3.47Å; I261-K265 PolarHBondContact O-N 3.04Å; G262-K265 WeakPolarHBondContact O-CB 3.12Å; K263-K265 VanDerWaalsContact C-N 3.33Å; K263-K265 PolarHBondContact O-N 3.07Å; K265-E267 PolarHBondContact O-N 3.49Å; K265-F268 CarbonylContact O-C 3.59Å; K265-F268 PolarHBondContact O-N 3.49Å; K265-W270 HydrophobicContact CB-CH2 3.44Å; K265-W270 VanDerWaalsContact CB-CH2 3.44Å; K265-W270 HydrophobicContact CB-CZ2 3.41Å; K265-W270 VanDerWaalsContact CB-CZ2 3.41Å; K265-W270 HydrophobicContact CB-CZ3 4.19Å; K265-W270 HydrophobicContact CD-CZ2 3.68Å; K265-W270 HydrophobicContact CG-CD2 4.47Å; K265-W270 HydrophobicContact CG-CH2 3.99Å; K265-W270 HydrophobicContact CG-CZ2 3.42Å; K265-W270 VanDerWaalsContact CG-CZ2 3.42Å; K265-E305 VanDerWaalsContact CE-OE2 3.23Å; K265-E305 WeakPolarHBondContact CE-OE2 3.44Å; K265-E305 IonicContact NZ-OE1 2.94Å; K265-E305 PolarHBondContact NZ-OE1 2.66Å; K265-E305 IonicContact NZ-OE2 3.63Å; K265-E305 PolarHBondContact NZ-OE2 2.73Å
266	G	91	Very high	95.1	Very high	68 Å²	68	50.8 Å²	50.8	70%	0.701	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-26.7	175.3	0	0	0	0	0	113.7	G262 K263 I264	G262-G266 PolarHBondContact O-N 3.49Å; K263-G266 PolarHBondContact O-N 3.06Å; K263-G266 VanDerWaalsContact O-N 3.09Å; I264-G266 PolarHBondContact O-N 3.23Å
267	E	92.5	Very high	95.1	Very high	83 Å²	83	50 Å²	50	39%	0.388	29%	0.286	S	S	.	.	H	α-helix	trans	-95.6	-21.9	-179.2	-67	-72.6	132.3	0	0	113.1	I158 R169 K207 I264 K265	I158-E267 HydrophobicContact CB-CG 4.22Å; I158-E267 HydrophobicContact CD1-CB 4.31Å; I158-E267 HydrophobicContact CD1-CG 3.63Å; I158-E267 HydrophobicContact CG2-CG 4.12Å; R169-E267 IonicContact CZ-OE2 2.65Å; R169-E267 IonicContact NH1-OE2 3.55Å; R169-E267 PolarHBondContact NH1-OE2 2.97Å; R169-E267 IonicContact NH2-OE1 2.77Å; R169-E267 PolarHBondContact NH2-OE1 3.36Å; R169-E267 VanDerWaalsContact NH2-OE1 3.14Å; R169-E267 IonicContact NH2-OE2 2.84Å; R169-E267 PolarHBondContact NH2-OE2 2.7Å; K207-E267 HydrophobicContact CG-CB 4.02Å; I264-E267 WeakPolarHBondContact O-CB 3.42Å; I264-E267 PolarHBondContact O-N 2.94Å; K265-E267 PolarHBondContact O-N 3.49Å
268	F	90.8	Very high	95.1	Very high	13 Å²	13	50 Å²	50	6%	0.057	29%	0.286	C	S	.	.			trans	-107.1	116.8	174.5	-75.2	-73.6	0	0	0	110.9	D205 K207 I264 K265 W270 Y276 L330 K332	D205-F268 WeakPolarHBondContact O-CZ 3.37Å; K207-F268 HydrophobicContact CB-CE2 3.8Å; K207-F268 HydrophobicContact CB-CZ 4.45Å; K207-F268 HydrophobicContact CD-CD2 4.08Å; K207-F268 HydrophobicContact CD-CE1 3.97Å; K207-F268 HydrophobicContact CD-CE2 3.38Å; K207-F268 HydrophobicContact CD-CZ 3.33Å; K207-F268 HydrophobicContact CG-CD2 4.29Å; K207-F268 HydrophobicContact CG-CE2 3.78Å; K207-F268 HydrophobicContact CG-CZ 4.23Å; K207-F268 VanDerWaalsContact NZ-CD1 3.29Å; I264-F268 HydrophobicContact CG2-CD2 3.45Å; I264-F268 VanDerWaalsContact CG2-CD2 3.45Å; I264-F268 HydrophobicContact CG2-CE2 3.58Å; I264-F268 PolarHBondContact O-N 3.07Å; K265-F268 CarbonylContact O-C 3.59Å; K265-F268 PolarHBondContact O-N 3.49Å; F268-W270 HydrophobicContact CB-CB 4.48Å; F268-W270 HydrophobicContact CB-CD2 4.27Å; F268-W270 HydrophobicContact CB-CE3 3.52Å; F268-W270 HydrophobicContact CB-CZ3 4.15Å; F268-W270 HydrophobicContact CD2-CE3 4.25Å; F268-W270 HydrophobicContact CD2-CZ3 4.23Å; F268-W270 HydrophobicContact CG-CE3 4.18Å; F268-W270 PolarHBondContact O-N 3.43Å; F268-Y276 AromaticContact CD1-CE1 3.84Å; F268-Y276 HydrophobicContact CD1-CE1 3.84Å; F268-Y276 AromaticContact CD1-CZ 3.95Å; F268-Y276 WeakPolarHBondContact CD1-OH 3.35Å; F268-Y276 HydrophobicContact CD2-CE1 4.13Å; F268-Y276 AromaticContact CE1-CE1 3.61Å; F268-Y276 HydrophobicContact CE1-CE1 3.61Å; F268-Y276 AromaticContact CE2-CE1 3.92Å; F268-Y276 HydrophobicContact CE2-CE1 3.92Å; F268-Y276 HydrophobicContact CG-CE1 4.07Å; F268-Y276 HydrophobicContact CZ-CD1 4.47Å; F268-Y276 AromaticContact CZ-CE1 3.64Å; F268-Y276 HydrophobicContact CZ-CE1 3.64Å; F268-L330 HydrophobicContact CE2-CB 4.09Å; F268-K332 HydrophobicContact CE1-CB 4.03Å
269	N	85.4	Confident	95.1	Very high	154 Å²	154	45.8 Å²	45.8	82%	0.824	27%	0.266	S	S	*	.			trans	-79.1	62.2	165.7	-169.3	23.5	0	0	0	110.8
270	W	91.8	Very high	95.2	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.091	26%	0.26	C	S	.	.			trans	-73	154.8	-175.7	60.3	51.7	0	0	0	112.8	I261 I264 K265 F268 D274 Y276 L302 E305 I307 L330	I261-W270 HydrophobicContact CG2-CH2 3.97Å; I261-W270 HydrophobicContact CG2-CZ2 4.44Å; I264-W270 HydrophobicContact CG2-CZ3 4.33Å; K265-W270 HydrophobicContact CB-CH2 3.44Å; K265-W270 VanDerWaalsContact CB-CH2 3.44Å; K265-W270 HydrophobicContact CB-CZ2 3.41Å; K265-W270 VanDerWaalsContact CB-CZ2 3.41Å; K265-W270 HydrophobicContact CB-CZ3 4.19Å; K265-W270 HydrophobicContact CD-CZ2 3.68Å; K265-W270 HydrophobicContact CG-CD2 4.47Å; K265-W270 HydrophobicContact CG-CH2 3.99Å; K265-W270 HydrophobicContact CG-CZ2 3.42Å; K265-W270 VanDerWaalsContact CG-CZ2 3.42Å; F268-W270 HydrophobicContact CB-CB 4.48Å; F268-W270 HydrophobicContact CB-CD2 4.27Å; F268-W270 HydrophobicContact CB-CE3 3.52Å; F268-W270 HydrophobicContact CB-CZ3 4.15Å; F268-W270 HydrophobicContact CD2-CE3 4.25Å; F268-W270 HydrophobicContact CD2-CZ3 4.23Å; F268-W270 HydrophobicContact CG-CE3 4.18Å; F268-W270 PolarHBondContact O-N 3.43Å; W270-D274 WeakPolarHBondContact CA-OD2 3.32Å; W270-Y276 HydrophobicContact CB-CE2 4.02Å; W270-Y276 HydrophobicContact CE3-CE2 4.46Å; W270-L302 HydrophobicContact CH2-CD2 4.32Å; W270-E305 HydrophobicContact CZ2-CB 4.47Å; W270-E305 HydrophobicContact CZ2-CG 4.3Å; W270-E305 PolarHBondContact NE1-OE2 2.94Å; W270-I307 HydrophobicContact CB-CD1 3.83Å; W270-I307 HydrophobicContact CD2-CD1 4Å; W270-I307 HydrophobicContact CD2-CG1 4.33Å; W270-I307 HydrophobicContact CG-CD1 3.63Å; W270-I307 HydrophobicContact CG-CG1 4.42Å; W270-L330 HydrophobicContact CH2-CD1 4.33Å; W270-L330 HydrophobicContact CZ3-CD1 3.86Å
271	K	92.3	Very high	95.2	Very high	147 Å²	147	44.5 Å²	44.5	64%	0.639	26%	0.26	S	S	*	.			trans	-118	154.9	175.3	-62.2	175.9	-174.1	173.8	0	109.7	G273 D274	K271-G273 PolarHBondContact O-N 3.42Å; K271-D274 PolarHBondContact N-OD2 2.98Å; K271-D274 VanDerWaalsContact O-CB 3.3Å; K271-D274 WeakPolarHBondContact O-CB 3.19Å; K271-D274 PolarHBondContact O-N 3.12Å
272	S	93.4	Very high	95.2	Very high	103 Å²	103	44.3 Å²	44.3	72%	0.72	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	132.3	170.4	-178.5	0	0	0	0	110.1	G306	S272-G306 CarbonylContact C-O 3.59Å; S272-G306 WeakPolarHBondContact CA-O 3.43Å; S272-G306 PolarHBondContact OG-O 3.22Å
273	G	95	Very high	95.4	Very high	46 Å²	46	42.6 Å²	42.6	47%	0.474	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-3.7	-174.2	0	0	0	0	0	114.9	K271 G306	K271-G273 PolarHBondContact O-N 3.42Å; G273-G306 PolarHBondContact N-O 3.08Å
274	D	97.3	Very high	95.5	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	24%	0.235	C	C	.	.			trans	-62.9	139.5	167.9	-82.1	-3.6	0	0	0	109.7	W270 K271 Y276 I307 E308 K332	W270-D274 WeakPolarHBondContact CA-OD2 3.32Å; K271-D274 PolarHBondContact N-OD2 2.98Å; K271-D274 VanDerWaalsContact O-CB 3.3Å; K271-D274 WeakPolarHBondContact O-CB 3.19Å; K271-D274 PolarHBondContact O-N 3.12Å; D274-Y276 HydrophobicContact CB-CD2 4.13Å; D274-Y276 HydrophobicContact CB-CE2 3.63Å; D274-I307 HydrophobicContact CB-CD1 4.27Å; D274-E308 PolarHBondContact O-N 2.83Å; D274-K332 IonicContact OD1-NZ 3.42Å; D274-K332 IonicContact OD2-NZ 2.78Å; D274-K332 PolarHBondContact OD2-NZ 3.34Å
275	K	98.1	Very high	95.6	Very high	63 Å²	63	42.6 Å²	42.6	27%	0.274	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.3	179	-65.7	173.7	176.1	-179.7	0	111	E308 T310 L333 D335	K275-E308 CarbonylContact C-O 3.43Å; K275-E308 VanDerWaalsContact CA-O 3.32Å; K275-E308 WeakPolarHBondContact CA-O 3.33Å; K275-E308 HydrophobicContact CG-CB 4.24Å; K275-E308 HydrophobicContact CG-CG 4.48Å; K275-T310 HydrophobicContact CB-CG2 3.98Å; K275-T310 HydrophobicContact CD-CG2 3.91Å; K275-T310 HydrophobicContact CG-CG2 3.76Å; K275-L333 HydrophobicContact CB-CB 4.37Å; K275-L333 PolarHBondContact O-N 3.06Å; K275-D335 IonicContact NZ-OD1 3.1Å; K275-D335 PolarHBondContact NZ-OD1 3.11Å; K275-D335 VanDerWaalsContact NZ-OD1 3.13Å
276	Y	98.4	Very high	95.8	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.5	177.8	-78.3	-98.7	0	0	0	112.2	F268 W270 D274 I307 E308 L309 T310 L330 I331 K332	F268-Y276 AromaticContact CD1-CE1 3.84Å; F268-Y276 HydrophobicContact CD1-CE1 3.84Å; F268-Y276 AromaticContact CD1-CZ 3.95Å; F268-Y276 WeakPolarHBondContact CD1-OH 3.35Å; F268-Y276 HydrophobicContact CD2-CE1 4.13Å; F268-Y276 AromaticContact CE1-CE1 3.61Å; F268-Y276 HydrophobicContact CE1-CE1 3.61Å; F268-Y276 AromaticContact CE2-CE1 3.92Å; F268-Y276 HydrophobicContact CE2-CE1 3.92Å; F268-Y276 HydrophobicContact CG-CE1 4.07Å; F268-Y276 HydrophobicContact CZ-CD1 4.47Å; F268-Y276 AromaticContact CZ-CE1 3.64Å; F268-Y276 HydrophobicContact CZ-CE1 3.64Å; W270-Y276 HydrophobicContact CB-CE2 4.02Å; W270-Y276 HydrophobicContact CE3-CE2 4.46Å; D274-Y276 HydrophobicContact CB-CD2 4.13Å; D274-Y276 HydrophobicContact CB-CE2 3.63Å; Y276-I307 HydrophobicContact CD2-CD1 4.22Å; Y276-I307 HydrophobicContact CD2-CG2 3.55Å; Y276-I307 HydrophobicContact CE2-CD1 4.11Å; Y276-I307 HydrophobicContact CE2-CG2 4.46Å; Y276-I307 HydrophobicContact CG-CG2 4.04Å; Y276-E308 PolarHBondContact N-O 3.41Å; Y276-L309 WeakPolarHBondContact O-CD1 3.43Å; Y276-T310 PolarHBondContact O-N 2.95Å; Y276-L330 HydrophobicContact CD1-CB 4.21Å; Y276-I331 CarbonylContact C-O 3.58Å; Y276-I331 VanDerWaalsContact CA-O 3.26Å; Y276-I331 WeakPolarHBondContact CA-O 3.46Å; Y276-I331 VanDerWaalsContact CD1-O 3.24Å; Y276-I331 WeakPolarHBondContact CD1-O 3.47Å; Y276-K332 HydrophobicContact CD1-CB 4.3Å; Y276-K332 HydrophobicContact CE1-CB 3.77Å; Y276-K332 HydrophobicContact CE1-CG 4.34Å
277	G	98.6	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.3	163.2	0	0	0	0	0	110.6	F311 L330 I331 L333	G277-F311 VanDerWaalsContact CA-O 3.31Å; G277-F311 WeakPolarHBondContact CA-O 3.4Å; G277-L330 WeakPolarHBondContact O-CA 3.49Å; G277-I331 PolarHBondContact N-O 2.69Å; G277-I331 PolarHBondContact O-N 2.67Å; G277-I331 VanDerWaalsContact O-N 3.17Å; G277-L333 VanDerWaalsContact N-CD1 3.33Å
278	L	98.8	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.2	175.8	173.5	59.4	0	0	0	109.5	V280 F295 A298 K299 L302 L309 F311 S312 K313 I328 L330	L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 4.24Å; L278-F295 HydrophobicContact CB-CE2 4.16Å; L278-F295 HydrophobicContact CD2-CD2 3.49Å; L278-F295 VanDerWaalsContact CD2-CD2 3.49Å; L278-F295 HydrophobicContact CD2-CE2 3.45Å; L278-F295 VanDerWaalsContact CD2-CE2 3.45Å; L278-F295 HydrophobicContact CD2-CG 4.37Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å; L278-F295 HydrophobicContact CG-CD2 3.82Å; L278-F295 HydrophobicContact CG-CE2 3.77Å; L278-A298 HydrophobicContact CD1-CB 4.28Å; L278-A298 HydrophobicContact CD2-CB 3.92Å; L278-K299 HydrophobicContact CD2-CB 4.32Å; L278-L302 HydrophobicContact CB-CD1 4.42Å; L278-L302 HydrophobicContact CD1-CD1 4.43Å; L278-L302 HydrophobicContact CD2-CD1 4.07Å; L278-L309 HydrophobicContact CB-CD1 3.3Å; L278-L309 HydrophobicContact CB-CD2 4.14Å; L278-L309 HydrophobicContact CB-CG 4.36Å; L278-L309 HydrophobicContact CD2-CD2 4.32Å; L278-F311 PolarHBondContact N-O 3.38Å; L278-S312 VanDerWaalsContact O-CA 3.26Å; L278-S312 WeakPolarHBondContact O-CA 3.13Å; L278-K313 PolarHBondContact O-N 3.1Å; L278-I328 HydrophobicContact CD1-CG2 3.56Å; L278-L330 HydrophobicContact CB-CD2 4.19Å; L278-L330 HydrophobicContact CD1-CD2 3.71Å
279	F	98.9	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.6	178.9	171.3	-145.9	0	0	0	109.9	A173 V176 L177 N281 K313 Y317 T329	A173-F279 HydrophobicContact CB-CE1 3.82Å; A173-F279 HydrophobicContact CB-CZ 4.38Å; A173-F279 WeakPolarHBondContact O-CE1 3.34Å; V176-F279 HydrophobicContact CB-CE1 4.42Å; L177-F279 HydrophobicContact CD1-CB 4.42Å; L177-F279 HydrophobicContact CD1-CD1 4.19Å; L177-F279 HydrophobicContact CD2-CD1 4.23Å; L177-F279 HydrophobicContact CG-CD1 4.11Å; F279-N281 HydrophobicContact CE1-CB 4.31Å; F279-N281 HydrophobicContact CE2-CB 3.8Å; F279-N281 HydrophobicContact CZ-CB 3.67Å; F279-K313 WeakPolarHBondContact CA-O 3.32Å; F279-K313 HydrophobicContact CD2-CB 3.84Å; F279-K313 HydrophobicContact CD2-CG 4.25Å; F279-K313 HydrophobicContact CE2-CB 4.49Å; F279-K313 HydrophobicContact CE2-CG 4.43Å; F279-K313 HydrophobicContact CG-CB 4.49Å; F279-Y317 AromaticContact CE2-CD2 3.49Å; F279-Y317 HydrophobicContact CE2-CD2 3.49Å; F279-Y317 VanDerWaalsContact CE2-CD2 3.49Å; F279-Y317 HydrophobicContact CE2-CE2 4.1Å; F279-Y317 HydrophobicContact CE2-CG 4.06Å; F279-Y317 AromaticContact CZ-CD2 3.96Å; F279-Y317 HydrophobicContact CZ-CD2 3.96Å; F279-Y317 HydrophobicContact CZ-CG 4.1Å; F279-T329 HydrophobicContact CD1-CG2 4.35Å; F279-T329 PolarHBondContact N-O 3.4Å; F279-T329 PolarHBondContact O-N 3.47Å
280	V	98.9	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.6	176.5	178.4	0	0	0	0	108.8	L278 L291 L294 F295 K313 V314 G315 S327 I328	L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 4.24Å; V280-L291 HydrophobicContact CG1-CB 4.24Å; V280-L291 HydrophobicContact CG1-CD2 4.36Å; V280-L294 HydrophobicContact CG1-CB 4.47Å; V280-L294 HydrophobicContact CG1-CD2 4.04Å; V280-L294 HydrophobicContact CG1-CG 4.41Å; V280-F295 HydrophobicContact CB-CB 4.46Å; V280-F295 HydrophobicContact CG2-CB 3.92Å; V280-F295 HydrophobicContact CG2-CD2 3.97Å; V280-F295 HydrophobicContact CG2-CG 4.47Å; V280-K313 PolarHBondContact N-O 2.83Å; V280-V314 HydrophobicContact CB-CG1 4.29Å; V280-V314 HydrophobicContact CB-CG2 4.28Å; V280-V314 HydrophobicContact CG1-CG1 4.48Å; V280-V314 VanDerWaalsContact O-CA 3.3Å; V280-V314 WeakPolarHBondContact O-CA 3.3Å; V280-G315 PolarHBondContact O-N 3.2Å; V280-G315 VanDerWaalsContact O-N 3.13Å; V280-S327 WeakPolarHBondContact CA-O 3.39Å; V280-I328 HydrophobicContact CG2-CG1 4.34Å
281	N	98.9	Very high	97.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.9	-175.8	172.8	73.9	0	0	0	110.7	A173 F279 G315 Y317 M318 A326 S327	A173-N281 HydrophobicContact CB-CB 4.07Å; F279-N281 HydrophobicContact CE1-CB 4.31Å; F279-N281 HydrophobicContact CE2-CB 3.8Å; F279-N281 HydrophobicContact CZ-CB 3.67Å; N281-G315 CarbonylContact C-O 3.46Å; N281-G315 VanDerWaalsContact CA-O 3.27Å; N281-G315 WeakPolarHBondContact CA-O 3.32Å; N281-Y317 PolarHBondContact OD1-N 3.35Å; N281-M318 PolarHBondContact ND2-O 2.86Å; N281-M318 PolarHBondContact OD1-N 3.46Å; N281-M318 PolarHBondContact OD1-O 3.44Å; N281-A326 CarbonylContact O-C 3.13Å; N281-A326 WeakPolarHBondContact O-CA 3.31Å; N281-A326 WeakPolarHBondContact O-CB 3.48Å; N281-S327 WeakPolarHBondContact CB-OG 3.31Å; N281-S327 PolarHBondContact N-O 3.24Å; N281-S327 PolarHBondContact O-N 3.2Å
282	G	98.7	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.3	171.2	0	0	0	0	0	112	G284 G315 N316	G282-G284 PolarHBondContact O-N 3.15Å; G282-G315 PolarHBondContact N-O 3.48Å; G282-N316 VanDerWaalsContact CA-OD1 3.26Å; G282-N316 WeakPolarHBondContact CA-OD1 3.31Å
283	M	98.4	Very high	98.4	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.025	21%	0.213	C	C	.	.			trans	-82.8	4.9	180	-60.3	-63.3	-74.4	0	0	113.4	I239 S320 M323 G325	I239-M283 HydrophobicContact CG2-CE 4.11Å; M283-S320 CarbonylContact O-C 3.54Å; M283-S320 PolarHBondContact O-N 2.84Å; M283-M323 CarbonylContact C-O 3.55Å; M283-M323 HydrophobicContact CB-CB 3.96Å; M283-M323 HydrophobicContact CB-CG 4.07Å; M283-M323 WeakPolarHBondContact CB-O 3.29Å; M283-M323 HydrophobicContact CB-SD 4.22Å; M283-M323 HydrophobicContact CE-SD 3.51Å; M283-M323 VanDerWaalsContact CE-SD 3.51Å; M283-M323 HydrophobicContact CG-SD 4.37Å; M283-M323 VanDerWaalsContact O-O 3.09Å; M283-G325 VanDerWaalsContact CG-C 3.46Å; M283-G325 PolarHBondContact N-O 3.41Å
284	G	98.2	Very high	98.6	Very high	20 Å²	20	36 Å²	36	21%	0.206	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	127.9	-65.9	177.2	0	0	0	0	0	113.2	G282 N316 L321 M323	G282-G284 PolarHBondContact O-N 3.15Å; G284-N316 PolarHBondContact O-ND2 3.4Å; G284-L321 WeakPolarHBondContact CA-O 3.45Å; G284-M323 PolarHBondContact N-O 2.82Å
285	A	98.2	Very high	98.6	Very high	52 Å²	52	35.9 Å²	35.9	43%	0.43	19%	0.191	S	C	.	.	S	Bend	trans	-87.5	-4.4	-174.2	0	0	0	0	0	115	P287 E322 M323 A324	A285-P287 WeakPolarHBondContact O-CD 3.33Å; A285-E322 HydrophobicContact CB-CB 4.36Å; A285-E322 WeakPolarHBondContact CB-O 3.17Å; A285-M323 PolarHBondContact N-O 2.95Å; A285-A324 HydrophobicContact CB-CB 4.17Å
286	T	98.6	Very high	98.7	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	20%	0.203	C	C	.	.	S	Bend	trans	-76.4	122	178.3	-53	0	0	0	0	111	E290 L291 G325	T286-E290 HydrophobicContact CG2-CB 3.88Å; T286-L291 HydrophobicContact CG2-CD2 3.64Å; T286-L291 HydrophobicContact CG2-CG 4.16Å; T286-G325 WeakPolarHBondContact CB-O 3.36Å; T286-G325 VanDerWaalsContact OG1-C 3.3Å; T286-G325 PolarHBondContact OG1-N 3.06Å; T286-G325 PolarHBondContact OG1-O 3.26Å
287	P	98.5	Very high	98.7	Very high	61 Å²	61	38.9 Å²	38.9	40%	0.396	21%	0.21	S	C	.	.			trans	-59.6	144.3	176.9	-25.4	35.5	0	0	0	113	A285 M289 E290 L291	A285-P287 WeakPolarHBondContact O-CD 3.33Å; P287-M289 HydrophobicContact CB-CG 4.06Å; P287-M289 PolarHBondContact O-N 3.13Å; P287-M289 VanDerWaalsContact O-N 3.11Å; P287-E290 WeakPolarHBondContact CD-OE1 3.2Å; P287-E290 WeakPolarHBondContact CG-OE1 3.2Å; P287-E290 WeakPolarHBondContact O-CB 3.3Å; P287-E290 PolarHBondContact O-N 2.99Å; P287-L291 PolarHBondContact O-N 3.49Å
288	L	98.5	Very high	98.7	Very high	90 Å²	90	38.9 Å²	38.9	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-57.9	-31.4	-179.3	-174.5	62.4	0	0	0	113.2	E290 L291 F292 V314	L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.8Å; L288-L291 HydrophobicContact CD1-CD1 4.22Å; L288-L291 PolarHBondContact O-N 3.45Å; L288-F292 HydrophobicContact CD1-CD2 4.41Å; L288-F292 HydrophobicContact CD1-CE2 3.94Å; L288-F292 HydrophobicContact CD1-CZ 4.05Å; L288-F292 HydrophobicContact CD2-CE2 3.64Å; L288-F292 HydrophobicContact CD2-CZ 4.09Å; L288-F292 HydrophobicContact CG-CD2 3.89Å; L288-F292 HydrophobicContact CG-CE2 3.41Å; L288-F292 VanDerWaalsContact CG-CE2 3.41Å; L288-F292 HydrophobicContact CG-CZ 4Å; L288-F292 VanDerWaalsContact O-CD2 3.24Å; L288-F292 WeakPolarHBondContact O-CD2 3.45Å; L288-F292 PolarHBondContact O-N 3.08Å; L288-V314 HydrophobicContact CD1-CG1 4.35Å
289	M	98.6	Very high	98.7	Very high	130 Å²	130	44.1 Å²	44.1	64%	0.64	23%	0.233	S	C	*	.	H	α-helix	trans	-62.5	-36.9	175.7	65.4	179.2	-73.5	0	0	112.7	P287 F292 I293	P287-M289 HydrophobicContact CB-CG 4.06Å; P287-M289 PolarHBondContact O-N 3.13Å; P287-M289 VanDerWaalsContact O-N 3.11Å; M289-F292 PolarHBondContact O-N 2.84Å; M289-I293 VanDerWaalsContact O-CG1 3.29Å; M289-I293 WeakPolarHBondContact O-CG1 3.47Å; M289-I293 PolarHBondContact O-N 2.88Å; M289-I293 VanDerWaalsContact O-N 3.08Å
290	E	98.8	Very high	98.7	Very high	85 Å²	85	46.2 Å²	46.2	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-70.9	-38.2	177.2	-65.6	177	-145.1	0	0	110.6	T286 P287 L288 F292 I293 L294	T286-E290 HydrophobicContact CG2-CB 3.88Å; P287-E290 WeakPolarHBondContact CD-OE1 3.2Å; P287-E290 WeakPolarHBondContact CG-OE1 3.2Å; P287-E290 WeakPolarHBondContact O-CB 3.3Å; P287-E290 PolarHBondContact O-N 2.99Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.8Å; E290-F292 VanDerWaalsContact C-N 3.31Å; E290-F292 PolarHBondContact O-N 2.96Å; E290-I293 PolarHBondContact O-N 3.26Å; E290-L294 PolarHBondContact O-N 2.82Å
291	L	98.9	Very high	98.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-38.5	173.7	-56.1	-178.1	0	0	0	112	V280 T286 P287 L288 L294 F295 V314 A326	V280-L291 HydrophobicContact CG1-CB 4.24Å; V280-L291 HydrophobicContact CG1-CD2 4.36Å; T286-L291 HydrophobicContact CG2-CD2 3.64Å; T286-L291 HydrophobicContact CG2-CG 4.16Å; P287-L291 PolarHBondContact O-N 3.49Å; L288-L291 HydrophobicContact CD1-CD1 4.22Å; L288-L291 PolarHBondContact O-N 3.45Å; L291-L294 PolarHBondContact O-N 3.43Å; L291-F295 WeakPolarHBondContact O-CB 3.32Å; L291-F295 PolarHBondContact O-N 3.18Å; L291-V314 HydrophobicContact CB-CG1 3.7Å; L291-A326 HydrophobicContact CD2-CB 3.79Å
292	F	98.9	Very high	98.6	Very high	110 Å²	110	47 Å²	47	48%	0.482	25%	0.254	S	S	.	.	H	α-helix	trans	-69.2	-33.7	174.7	-73.6	-50.3	0	0	0	113.2	L288 M289 E290 N296 V314	L288-F292 HydrophobicContact CD1-CD2 4.41Å; L288-F292 HydrophobicContact CD1-CE2 3.94Å; L288-F292 HydrophobicContact CD1-CZ 4.05Å; L288-F292 HydrophobicContact CD2-CE2 3.64Å; L288-F292 HydrophobicContact CD2-CZ 4.09Å; L288-F292 HydrophobicContact CG-CD2 3.89Å; L288-F292 HydrophobicContact CG-CE2 3.41Å; L288-F292 VanDerWaalsContact CG-CE2 3.41Å; L288-F292 HydrophobicContact CG-CZ 4Å; L288-F292 VanDerWaalsContact O-CD2 3.24Å; L288-F292 WeakPolarHBondContact O-CD2 3.45Å; L288-F292 PolarHBondContact O-N 3.08Å; M289-F292 PolarHBondContact O-N 2.84Å; E290-F292 VanDerWaalsContact C-N 3.31Å; E290-F292 PolarHBondContact O-N 2.96Å; F292-N296 WeakPolarHBondContact O-CB 3.37Å; F292-N296 PolarHBondContact O-N 3.43Å; F292-V314 HydrophobicContact CD1-CB 4.14Å; F292-V314 HydrophobicContact CD1-CG1 3.79Å; F292-V314 HydrophobicContact CD1-CG2 4.33Å; F292-V314 HydrophobicContact CE1-CB 3.84Å; F292-V314 HydrophobicContact CE1-CG1 3.86Å; F292-V314 HydrophobicContact CE1-CG2 4.31Å
293	I	98.9	Very high	98.6	Very high	82 Å²	82	50.1 Å²	50.1	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-47.5	172.6	-67.4	163.5	0	0	0	109.6	M289 E290 F295 N296 D297	M289-I293 VanDerWaalsContact O-CG1 3.29Å; M289-I293 WeakPolarHBondContact O-CG1 3.47Å; M289-I293 PolarHBondContact O-N 2.88Å; M289-I293 VanDerWaalsContact O-N 3.08Å; E290-I293 PolarHBondContact O-N 3.26Å; I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 PolarHBondContact O-N 2.71Å; I293-N296 WeakPolarHBondContact O-CB 3.43Å; I293-N296 PolarHBondContact O-N 3Å; I293-N296 VanDerWaalsContact O-N 3.13Å; I293-D297 PolarHBondContact O-N 3.45Å
294	L	98.9	Very high	98.5	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-42.5	176.8	-175.7	63.4	0	0	0	112.2	S253 I256 A257 V280 E290 L291 N296 D297 A298 A326 I328	S253-L294 WeakPolarHBondContact OG-CA 3.38Å; I256-L294 HydrophobicContact CG2-CD1 4.18Å; A257-L294 HydrophobicContact CB-CD1 4.04Å; V280-L294 HydrophobicContact CG1-CB 4.47Å; V280-L294 HydrophobicContact CG1-CD2 4.04Å; V280-L294 HydrophobicContact CG1-CG 4.41Å; E290-L294 PolarHBondContact O-N 2.82Å; L291-L294 PolarHBondContact O-N 3.43Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 2.75Å; L294-D297 PolarHBondContact O-N 3.08Å; L294-A298 VanDerWaalsContact O-CB 3.31Å; L294-A298 WeakPolarHBondContact O-CB 3.44Å; L294-A298 PolarHBondContact O-N 2.86Å; L294-A326 HydrophobicContact CD2-CB 3.65Å; L294-I328 HydrophobicContact CD1-CD1 4.13Å; L294-I328 HydrophobicContact CD2-CD1 4.32Å; L294-I328 HydrophobicContact CD2-CG1 4.18Å; L294-I328 HydrophobicContact CG-CD1 4.11Å; L294-I328 HydrophobicContact CG-CG1 4.41Å
295	F	98.9	Very high	98.3	Very high	30 Å²	30	59.5 Å²	59.5	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-43.3	173.7	175.8	-92.9	0	0	0	112.2	L278 V280 L291 I293 D297 A298 K299 L309 V314	L278-F295 HydrophobicContact CB-CE2 4.16Å; L278-F295 HydrophobicContact CD2-CD2 3.49Å; L278-F295 VanDerWaalsContact CD2-CD2 3.49Å; L278-F295 HydrophobicContact CD2-CE2 3.45Å; L278-F295 VanDerWaalsContact CD2-CE2 3.45Å; L278-F295 HydrophobicContact CD2-CG 4.37Å; L278-F295 HydrophobicContact CD2-CZ 4.32Å; L278-F295 HydrophobicContact CG-CD2 3.82Å; L278-F295 HydrophobicContact CG-CE2 3.77Å; V280-F295 HydrophobicContact CB-CB 4.46Å; V280-F295 HydrophobicContact CG2-CB 3.92Å; V280-F295 HydrophobicContact CG2-CD2 3.97Å; V280-F295 HydrophobicContact CG2-CG 4.47Å; L291-F295 WeakPolarHBondContact O-CB 3.32Å; L291-F295 PolarHBondContact O-N 3.18Å; I293-F295 VanDerWaalsContact C-N 3.34Å; I293-F295 PolarHBondContact O-N 2.71Å; F295-D297 VanDerWaalsContact C-N 3.35Å; F295-D297 PolarHBondContact O-N 3.41Å; F295-A298 PolarHBondContact O-N 2.78Å; F295-K299 HydrophobicContact CE1-CB 4.43Å; F295-K299 HydrophobicContact CE1-CD 3.97Å; F295-K299 HydrophobicContact CZ-CD 4.28Å; F295-K299 WeakPolarHBondContact O-CB 3.32Å; F295-K299 PolarHBondContact O-N 2.67Å; F295-L309 HydrophobicContact CE2-CD2 4.26Å; F295-L309 HydrophobicContact CZ-CD2 3.95Å; F295-V314 HydrophobicContact CB-CG2 3.87Å; F295-V314 HydrophobicContact CD1-CG2 4.43Å; F295-V314 HydrophobicContact CD2-CG2 3.48Å; F295-V314 VanDerWaalsContact CD2-CG2 3.48Å; F295-V314 HydrophobicContact CE2-CG2 4.13Å; F295-V314 HydrophobicContact CG-CG2 3.66Å
296	N	98.8	Very high	98.2	Very high	98 Å²	98	58.3 Å²	58.3	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-46.6	178.6	176.6	82.2	0	0	0	111.4	F292 I293 L294 A300	F292-N296 WeakPolarHBondContact O-CB 3.37Å; F292-N296 PolarHBondContact O-N 3.43Å; I293-N296 WeakPolarHBondContact O-CB 3.43Å; I293-N296 PolarHBondContact O-N 3Å; I293-N296 VanDerWaalsContact O-N 3.13Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-N296 PolarHBondContact O-N 2.75Å; N296-A300 PolarHBondContact O-N 3.48Å
297	D	98.9	Very high	98.2	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.16	31%	0.311	C	S	.	.	H	α-helix	trans	-67.5	-46.2	179.4	-66.2	-28	0	0	0	111.6	S253 K254 A257 I293 L294 F295 K299 A300 I301	S253-D297 VanDerWaalsContact C-OD2 3.31Å; S253-D297 WeakPolarHBondContact CB-OD2 3.39Å; S253-D297 PolarHBondContact OG-OD2 2.82Å; K254-D297 HydrophobicContact CB-CB 4.47Å; K254-D297 PolarHBondContact N-OD2 3.41Å; A257-D297 HydrophobicContact CB-CB 3.98Å; I293-D297 PolarHBondContact O-N 3.45Å; L294-D297 PolarHBondContact O-N 3.08Å; F295-D297 VanDerWaalsContact C-N 3.35Å; F295-D297 PolarHBondContact O-N 3.41Å; D297-K299 VanDerWaalsContact C-N 3.33Å; D297-K299 PolarHBondContact O-N 3.26Å; D297-A300 PolarHBondContact O-N 3.03Å; D297-A300 VanDerWaalsContact O-N 3.17Å; D297-I301 WeakPolarHBondContact O-CD1 3.48Å; D297-I301 VanDerWaalsContact O-CG1 3.31Å; D297-I301 WeakPolarHBondContact O-CG1 3.21Å; D297-I301 PolarHBondContact O-N 3.22Å
298	A	98.8	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-42.3	176.7	0	0	0	0	0	112.3	A257 I261 L278 L294 F295 A300 I301 L302 I328	A257-A298 HydrophobicContact CB-CB 4.28Å; I261-A298 HydrophobicContact CD1-CB 4.44Å; I261-A298 HydrophobicContact CG1-CB 4.44Å; L278-A298 HydrophobicContact CD1-CB 4.28Å; L278-A298 HydrophobicContact CD2-CB 3.92Å; L294-A298 VanDerWaalsContact O-CB 3.31Å; L294-A298 WeakPolarHBondContact O-CB 3.44Å; L294-A298 PolarHBondContact O-N 2.86Å; F295-A298 PolarHBondContact O-N 2.78Å; A298-A300 PolarHBondContact O-N 3.16Å; A298-I301 PolarHBondContact O-N 3.08Å; A298-L302 VanDerWaalsContact O-CG 3.29Å; A298-L302 WeakPolarHBondContact O-CG 3.15Å; A298-L302 PolarHBondContact O-N 3.1Å; A298-I328 HydrophobicContact CB-CD1 3.92Å
299	K	98.7	Very high	98.1	Very high	109 Å²	109	58.1 Å²	58.1	47%	0.474	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.4	177.6	-179.1	174.5	-177.6	0	111.9	L278 F295 D297 L302 A303 L309	L278-K299 HydrophobicContact CD2-CB 4.32Å; F295-K299 HydrophobicContact CE1-CB 4.43Å; F295-K299 HydrophobicContact CE1-CD 3.97Å; F295-K299 HydrophobicContact CZ-CD 4.28Å; F295-K299 WeakPolarHBondContact O-CB 3.32Å; F295-K299 PolarHBondContact O-N 2.67Å; D297-K299 VanDerWaalsContact C-N 3.33Å; D297-K299 PolarHBondContact O-N 3.26Å; K299-L302 PolarHBondContact O-N 2.99Å; K299-A303 PolarHBondContact O-N 2.76Å; K299-L309 HydrophobicContact CB-CD2 4.49Å; K299-L309 HydrophobicContact CD-CD2 4.27Å; K299-L309 HydrophobicContact CG-CD2 4.06Å
300	A	98.6	Very high	98.1	Very high	45 Å²	45	53.7 Å²	53.7	37%	0.372	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-45.5	178.3	0	0	0	0	0	111.3	N296 D297 A298 L302 A303 E304	N296-A300 PolarHBondContact O-N 3.48Å; D297-A300 PolarHBondContact O-N 3.03Å; D297-A300 VanDerWaalsContact O-N 3.17Å; A298-A300 PolarHBondContact O-N 3.16Å; A300-L302 PolarHBondContact O-N 3.23Å; A300-A303 PolarHBondContact O-N 3.38Å; A300-E304 WeakPolarHBondContact O-CG 3.41Å; A300-E304 PolarHBondContact O-N 3.16Å
301	I	98.2	Very high	98.1	Very high	15 Å²	15	50.3 Å²	50.3	8%	0.077	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-44.7	178	-63.6	157.1	0	0	0	111	A257 E258 I261 D297 A298 A303 E304 E305	A257-I301 HydrophobicContact CB-CD1 3.55Å; E258-I301 HydrophobicContact CB-CD1 4.3Å; E258-I301 HydrophobicContact CG-CD1 3.63Å; E258-I301 HydrophobicContact CG-CG1 4.15Å; I261-I301 HydrophobicContact CB-CG2 4.2Å; I261-I301 HydrophobicContact CG2-CG2 3.8Å; D297-I301 WeakPolarHBondContact O-CD1 3.48Å; D297-I301 VanDerWaalsContact O-CG1 3.31Å; D297-I301 WeakPolarHBondContact O-CG1 3.21Å; D297-I301 PolarHBondContact O-N 3.22Å; A298-I301 PolarHBondContact O-N 3.08Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.1Å; I301-E304 PolarHBondContact O-N 2.94Å; I301-E305 WeakPolarHBondContact O-CG 3.34Å; I301-E305 PolarHBondContact O-N 2.77Å
302	L	98.1	Very high	98.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176.6	-71	168.1	0	0	0	112.5	I261 W270 L278 A298 K299 A300 E305 G306 I307 L330	I261-L302 HydrophobicContact CD1-CD1 4.45Å; I261-L302 HydrophobicContact CD1-CD2 4.27Å; I261-L302 HydrophobicContact CD1-CG 4.32Å; I261-L302 HydrophobicContact CG2-CD2 4.15Å; W270-L302 HydrophobicContact CH2-CD2 4.32Å; L278-L302 HydrophobicContact CB-CD1 4.42Å; L278-L302 HydrophobicContact CD1-CD1 4.43Å; L278-L302 HydrophobicContact CD2-CD1 4.07Å; A298-L302 VanDerWaalsContact O-CG 3.29Å; A298-L302 WeakPolarHBondContact O-CG 3.15Å; A298-L302 PolarHBondContact O-N 3.1Å; K299-L302 PolarHBondContact O-N 2.99Å; A300-L302 PolarHBondContact O-N 3.23Å; L302-E305 CarbonylContact O-C 3.46Å; L302-E305 WeakPolarHBondContact O-CB 3.42Å; L302-E305 PolarHBondContact O-N 2.99Å; L302-G306 PolarHBondContact O-N 3.39Å; L302-I307 HydrophobicContact CB-CB 4.24Å; L302-I307 HydrophobicContact CD2-CB 4.38Å; L302-I307 HydrophobicContact CD2-CG1 4.36Å; L302-I307 HydrophobicContact CD2-CG2 4.37Å; L302-I307 WeakPolarHBondContact O-CB 3.38Å; L302-I307 PolarHBondContact O-N 3.15Å; L302-L330 HydrophobicContact CD1-CD2 3.94Å; L302-L330 HydrophobicContact CD2-CD1 3.87Å
303	A	97.7	Very high	98	Very high	66 Å²	66	49.9 Å²	49.9	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-38.8	176.4	0	0	0	0	0	112.1	K299 A300 I301 E305 G306	K299-A303 PolarHBondContact O-N 2.76Å; A300-A303 PolarHBondContact O-N 3.38Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.1Å; A303-E305 VanDerWaalsContact C-N 3.26Å; A303-E305 PolarHBondContact O-N 2.9Å; A303-G306 PolarHBondContact O-N 2.91Å
304	E	96.7	Very high	98	Very high	155 Å²	155	47.1 Å²	47.1	72%	0.724	26%	0.261	S	S	*	.	H	α-helix	trans	-63.6	-32.8	173.7	-70.5	175.7	-172.2	0	0	112.2	A300 I301 G306	A300-E304 WeakPolarHBondContact O-CG 3.41Å; A300-E304 PolarHBondContact O-N 3.16Å; I301-E304 PolarHBondContact O-N 2.94Å; E304-G306 PolarHBondContact O-N 3.2Å
305	E	95	Very high	98	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.2	173.2	-69.1	-73	156.2	0	0	113.5	K265 W270 I301 L302 A303 I307	K265-E305 VanDerWaalsContact CE-OE2 3.23Å; K265-E305 WeakPolarHBondContact CE-OE2 3.44Å; K265-E305 IonicContact NZ-OE1 2.94Å; K265-E305 PolarHBondContact NZ-OE1 2.66Å; K265-E305 IonicContact NZ-OE2 3.63Å; K265-E305 PolarHBondContact NZ-OE2 2.73Å; W270-E305 HydrophobicContact CZ2-CB 4.47Å; W270-E305 HydrophobicContact CZ2-CG 4.3Å; W270-E305 PolarHBondContact NE1-OE2 2.94Å; I301-E305 WeakPolarHBondContact O-CG 3.34Å; I301-E305 PolarHBondContact O-N 2.77Å; L302-E305 CarbonylContact O-C 3.46Å; L302-E305 WeakPolarHBondContact O-CB 3.42Å; L302-E305 PolarHBondContact O-N 2.99Å; A303-E305 VanDerWaalsContact C-N 3.26Å; A303-E305 PolarHBondContact O-N 2.9Å; E305-I307 VanDerWaalsContact C-N 3.31Å; E305-I307 HydrophobicContact CB-CG1 4.14Å; E305-I307 PolarHBondContact O-N 2.76Å
306	G	96.3	Very high	98	Very high	26 Å²	26	48.6 Å²	48.6	27%	0.268	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	23.1	-180	0	0	0	0	0	113.8	S272 G273 L302 A303 E304	S272-G306 CarbonylContact C-O 3.59Å; S272-G306 WeakPolarHBondContact CA-O 3.43Å; S272-G306 PolarHBondContact OG-O 3.22Å; G273-G306 PolarHBondContact N-O 3.08Å; L302-G306 PolarHBondContact O-N 3.39Å; A303-G306 PolarHBondContact O-N 2.91Å; E304-G306 PolarHBondContact O-N 3.2Å
307	I	97.6	Very high	98	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.062	25%	0.253	C	S	.	.			trans	-86	134.1	177.6	-60.7	-57.4	0	0	0	110.7	W270 D274 Y276 L302 E305	W270-I307 HydrophobicContact CB-CD1 3.83Å; W270-I307 HydrophobicContact CD2-CD1 4Å; W270-I307 HydrophobicContact CD2-CG1 4.33Å; W270-I307 HydrophobicContact CG-CD1 3.63Å; W270-I307 HydrophobicContact CG-CG1 4.42Å; D274-I307 HydrophobicContact CB-CD1 4.27Å; Y276-I307 HydrophobicContact CD2-CD1 4.22Å; Y276-I307 HydrophobicContact CD2-CG2 3.55Å; Y276-I307 HydrophobicContact CE2-CD1 4.11Å; Y276-I307 HydrophobicContact CE2-CG2 4.46Å; Y276-I307 HydrophobicContact CG-CG2 4.04Å; L302-I307 HydrophobicContact CB-CB 4.24Å; L302-I307 HydrophobicContact CD2-CB 4.38Å; L302-I307 HydrophobicContact CD2-CG1 4.36Å; L302-I307 HydrophobicContact CD2-CG2 4.37Å; L302-I307 WeakPolarHBondContact O-CB 3.38Å; L302-I307 PolarHBondContact O-N 3.15Å; E305-I307 VanDerWaalsContact C-N 3.31Å; E305-I307 HydrophobicContact CB-CG1 4.14Å; E305-I307 PolarHBondContact O-N 2.76Å
308	E	97.4	Very high	98	Very high	98 Å²	98	44 Å²	44	46%	0.458	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113	174.5	-170.2	-174.1	157.4	0	0	110	D274 K275 Y276 T310	D274-E308 PolarHBondContact O-N 2.83Å; K275-E308 CarbonylContact C-O 3.43Å; K275-E308 VanDerWaalsContact CA-O 3.32Å; K275-E308 WeakPolarHBondContact CA-O 3.33Å; K275-E308 HydrophobicContact CG-CB 4.24Å; K275-E308 HydrophobicContact CG-CG 4.48Å; Y276-E308 PolarHBondContact N-O 3.41Å; E308-T310 HydrophobicContact CG-CG2 3.9Å; E308-T310 PolarHBondContact O-N 3.04Å; E308-T310 WeakPolarHBondContact OE1-CG2 3.47Å
309	L	97.9	Very high	98	Very high	48 Å²	48	44.6 Å²	44.6	25%	0.251	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.7	176.4	-171.5	71.3	0	0	0	110.8	Y276 L278 F295 K299 F311	Y276-L309 WeakPolarHBondContact O-CD1 3.43Å; L278-L309 HydrophobicContact CB-CD1 3.3Å; L278-L309 HydrophobicContact CB-CD2 4.14Å; L278-L309 HydrophobicContact CB-CG 4.36Å; L278-L309 HydrophobicContact CD2-CD2 4.32Å; F295-L309 HydrophobicContact CE2-CD2 4.26Å; F295-L309 HydrophobicContact CZ-CD2 3.95Å; K299-L309 HydrophobicContact CB-CD2 4.49Å; K299-L309 HydrophobicContact CD-CD2 4.27Å; K299-L309 HydrophobicContact CG-CD2 4.06Å; L309-F311 WeakPolarHBondContact CD1-O 3.46Å
310	T	97.9	Very high	98	Very high	36 Å²	36	39.4 Å²	39.4	22%	0.221	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-13	-176	57.6	0	0	0	0	114.1	K275 Y276 E308 L333 L338	K275-T310 HydrophobicContact CB-CG2 3.98Å; K275-T310 HydrophobicContact CD-CG2 3.91Å; K275-T310 HydrophobicContact CG-CG2 3.76Å; Y276-T310 PolarHBondContact O-N 2.95Å; E308-T310 HydrophobicContact CG-CG2 3.9Å; E308-T310 PolarHBondContact O-N 3.04Å; E308-T310 WeakPolarHBondContact OE1-CG2 3.47Å; T310-L333 WeakPolarHBondContact OG1-CD1 3.31Å; T310-L338 WeakPolarHBondContact O-CD1 3.48Å
311	F	98.6	Very high	97.9	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.6	175.2	176.7	-98	0	0	0	110.4	L177 G277 L278 L309 K313 L333 L338 L341 W350	L177-F311 HydrophobicContact CD2-CE1 4.23Å; G277-F311 VanDerWaalsContact CA-O 3.31Å; G277-F311 WeakPolarHBondContact CA-O 3.4Å; L278-F311 PolarHBondContact N-O 3.38Å; L309-F311 WeakPolarHBondContact CD1-O 3.46Å; F311-K313 HydrophobicContact CE1-CB 3.9Å; F311-K313 HydrophobicContact CZ-CB 4Å; F311-K313 HydrophobicContact CZ-CD 4.43Å; F311-L333 HydrophobicContact CB-CD1 3.66Å; F311-L338 HydrophobicContact CB-CD1 4Å; F311-L341 HydrophobicContact CB-CD1 4.4Å; F311-L341 HydrophobicContact CD1-CD1 3.93Å; F311-L341 HydrophobicContact CD2-CB 3.89Å; F311-L341 HydrophobicContact CD2-CD1 4.28Å; F311-L341 HydrophobicContact CE1-CD1 4.24Å; F311-L341 HydrophobicContact CE1-CD2 4.44Å; F311-L341 HydrophobicContact CE2-CB 3.81Å; F311-L341 HydrophobicContact CG-CB 4.4Å; F311-L341 HydrophobicContact CG-CD1 3.94Å; F311-L341 HydrophobicContact CZ-CB 4.27Å; F311-L341 HydrophobicContact CZ-CD2 4.34Å; F311-W350 HydrophobicContact CE1-CH2 4.46Å; F311-W350 HydrophobicContact CE2-CZ2 4.33Å; F311-W350 AromaticContact CZ-CH2 3.78Å; F311-W350 HydrophobicContact CZ-CH2 3.78Å; F311-W350 AromaticContact CZ-CZ2 3.8Å; F311-W350 HydrophobicContact CZ-CZ2 3.8Å
312	S	98.6	Very high	97.9	Very high	65 Å²	65	41.6 Å²	41.6	46%	0.455	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.8	174.5	58.8	0	0	0	0	111.7	L278	L278-S312 VanDerWaalsContact O-CA 3.26Å; L278-S312 WeakPolarHBondContact O-CA 3.13Å
313	K	98.6	Very high	97.9	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.161	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.4	173	-160.5	72	156.7	158.2	0	108.4	L278 F279 V280 F311 Y317 W350	L278-K313 PolarHBondContact O-N 3.1Å; F279-K313 WeakPolarHBondContact CA-O 3.32Å; F279-K313 HydrophobicContact CD2-CB 3.84Å; F279-K313 HydrophobicContact CD2-CG 4.25Å; F279-K313 HydrophobicContact CE2-CB 4.49Å; F279-K313 HydrophobicContact CE2-CG 4.43Å; F279-K313 HydrophobicContact CG-CB 4.49Å; V280-K313 PolarHBondContact N-O 2.83Å; F311-K313 HydrophobicContact CE1-CB 3.9Å; F311-K313 HydrophobicContact CZ-CB 4Å; F311-K313 HydrophobicContact CZ-CD 4.43Å; K313-Y317 HydrophobicContact CD-CE1 4.33Å; K313-Y317 HydrophobicContact CD-CE2 4.5Å; K313-Y317 WeakPolarHBondContact CD-OH 3.38Å; K313-Y317 VanDerWaalsContact CE-CE1 3.44Å; K313-Y317 VanDerWaalsContact CE-CZ 3.44Å; K313-Y317 WeakPolarHBondContact CE-OH 3.37Å; K313-Y317 HydrophobicContact CG-CE1 4.22Å; K313-Y317 HydrophobicContact CG-CE2 3.8Å; K313-Y317 PolarHBondContact NZ-OH 3.4Å; K313-W350 PolarHBondContact NZ-O 2.75Å
314	V	98.8	Very high	97.9	Very high	23 Å²	23	39.2 Å²	39.2	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.1	-179.3	-174.6	0	0	0	0	109	V280 L288 L291 F292 F295	V280-V314 HydrophobicContact CB-CG1 4.29Å; V280-V314 HydrophobicContact CB-CG2 4.28Å; V280-V314 HydrophobicContact CG1-CG1 4.48Å; V280-V314 VanDerWaalsContact O-CA 3.3Å; V280-V314 WeakPolarHBondContact O-CA 3.3Å; L288-V314 HydrophobicContact CD1-CG1 4.35Å; L291-V314 HydrophobicContact CB-CG1 3.7Å; F292-V314 HydrophobicContact CD1-CB 4.14Å; F292-V314 HydrophobicContact CD1-CG1 3.79Å; F292-V314 HydrophobicContact CD1-CG2 4.33Å; F292-V314 HydrophobicContact CE1-CB 3.84Å; F292-V314 HydrophobicContact CE1-CG1 3.86Å; F292-V314 HydrophobicContact CE1-CG2 4.31Å; F295-V314 HydrophobicContact CB-CG2 3.87Å; F295-V314 HydrophobicContact CD1-CG2 4.43Å; F295-V314 HydrophobicContact CD2-CG2 3.48Å; F295-V314 VanDerWaalsContact CD2-CG2 3.48Å; F295-V314 HydrophobicContact CE2-CG2 4.13Å; F295-V314 HydrophobicContact CG-CG2 3.66Å
315	G	98.7	Very high	98	Very high	7 Å²	7	31.9 Å²	31.9	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.8	-162	178	0	0	0	0	0	113.5	V280 N281 G282	V280-G315 PolarHBondContact O-N 3.2Å; V280-G315 VanDerWaalsContact O-N 3.13Å; N281-G315 CarbonylContact C-O 3.46Å; N281-G315 VanDerWaalsContact CA-O 3.27Å; N281-G315 WeakPolarHBondContact CA-O 3.32Å; G282-G315 PolarHBondContact N-O 3.48Å
316	N	98.6	Very high	98.2	Very high	66 Å²	66	28.9 Å²	28.9	35%	0.353	16%	0.163	S	C	.	.			trans	-102.9	105.7	178.7	-70.1	-9.2	0	0	0	109.3	P80 G282 G284 T319	P80-N316 WeakPolarHBondContact CD-O 3.4Å; G282-N316 VanDerWaalsContact CA-OD1 3.26Å; G282-N316 WeakPolarHBondContact CA-OD1 3.31Å; G284-N316 PolarHBondContact O-ND2 3.4Å; N316-T319 HydrophobicContact CB-CG2 3.77Å
317	Y	98.7	Very high	98.3	Very high	31 Å²	31	27.8 Å²	27.8	12%	0.122	15%	0.151	C	C	.	.	S	Bend	trans	-124.3	-29	-177.9	-63.4	-91.2	0	0	0	111.8	S81 F85 F279 N281 K313 A349	S81-Y317 PolarHBondContact N-O 2.92Å; S81-Y317 PolarHBondContact OG-O 3.36Å; F85-Y317 HydrophobicContact CE1-CD1 4.12Å; F85-Y317 WeakPolarHBondContact CE2-O 3.36Å; F85-Y317 HydrophobicContact CZ-CD1 4.05Å; F279-Y317 AromaticContact CE2-CD2 3.49Å; F279-Y317 HydrophobicContact CE2-CD2 3.49Å; F279-Y317 VanDerWaalsContact CE2-CD2 3.49Å; F279-Y317 HydrophobicContact CE2-CE2 4.1Å; F279-Y317 HydrophobicContact CE2-CG 4.06Å; F279-Y317 AromaticContact CZ-CD2 3.96Å; F279-Y317 HydrophobicContact CZ-CD2 3.96Å; F279-Y317 HydrophobicContact CZ-CG 4.1Å; N281-Y317 PolarHBondContact OD1-N 3.35Å; K313-Y317 HydrophobicContact CD-CE1 4.33Å; K313-Y317 HydrophobicContact CD-CE2 4.5Å; K313-Y317 WeakPolarHBondContact CD-OH 3.38Å; K313-Y317 VanDerWaalsContact CE-CE1 3.44Å; K313-Y317 VanDerWaalsContact CE-CZ 3.44Å; K313-Y317 WeakPolarHBondContact CE-OH 3.37Å; K313-Y317 HydrophobicContact CG-CE1 4.22Å; K313-Y317 HydrophobicContact CG-CE2 3.8Å; K313-Y317 PolarHBondContact NZ-OH 3.4Å; Y317-A349 VanDerWaalsContact CE1-O 3.3Å; Y317-A349 WeakPolarHBondContact CE1-O 3.41Å
318	M	98.7	Very high	98.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.148	C	C	.	.	S	Bend	trans	-135.3	94.5	167.1	-175.8	174.5	-68	0	0	108.7	H78 S81 K126 V172 A173 V176 I239 N281	H78-M318 HydrophobicContact CB-CG 4.22Å; S81-M318 WeakPolarHBondContact OG-CB 3.41Å; K126-M318 HydrophobicContact CD-CE 4.1Å; V172-M318 VanDerWaalsContact O-CE 3.25Å; V172-M318 WeakPolarHBondContact O-CE 3.32Å; V172-M318 VanDerWaalsContact O-SD 3.39Å; A173-M318 HydrophobicContact CB-CB 4.42Å; A173-M318 PolarHBondContact N-SD 2.67Å; A173-M318 VanDerWaalsContact N-SD 3.44Å; V176-M318 HydrophobicContact CG2-CB 4.45Å; V176-M318 HydrophobicContact CG2-CE 4.3Å; I239-M318 HydrophobicContact CD1-SD 3.89Å; I239-M318 HydrophobicContact CG2-CG 4.44Å; I239-M318 HydrophobicContact CG2-SD 4.14Å; N281-M318 PolarHBondContact ND2-O 2.86Å; N281-M318 PolarHBondContact OD1-N 3.46Å; N281-M318 PolarHBondContact OD1-O 3.44Å
319	T	98.5	Very high	98.4	Very high	12 Å²	12	22.6 Å²	22.6	7%	0.074	13%	0.126	C	C	.	.			trans	-85.3	-179	-178.3	61.4	0	0	0	0	111.3	H78 E79 N316	H78-T319 VanDerWaalsContact C-OG1 3.25Å; H78-T319 VanDerWaalsContact CA-O 3.29Å; H78-T319 WeakPolarHBondContact CA-O 3.31Å; H78-T319 PolarHBondContact ND1-O 3.42Å; H78-T319 PolarHBondContact O-N 3.28Å; E79-T319 PolarHBondContact N-OG1 3.18Å; E79-T319 VanDerWaalsContact O-CG2 3.26Å; E79-T319 WeakPolarHBondContact O-CG2 3.41Å; E79-T319 PolarHBondContact O-OG1 3.13Å; N316-T319 HydrophobicContact CB-CG2 3.77Å
320	S	98.1	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.			trans	-136.4	72.6	163.7	-178.8	0	0	0	0	106.9	G77 F100 A216 I239 M283 E322 M323	G77-S320 CarbonylContact O-C 3.47Å; G77-S320 VanDerWaalsContact O-CA 3.31Å; G77-S320 WeakPolarHBondContact O-CA 3.48Å; F100-S320 VanDerWaalsContact CZ-OG 3.25Å; F100-S320 WeakPolarHBondContact CZ-OG 3.37Å; A216-S320 VanDerWaalsContact CB-O 3.3Å; A216-S320 WeakPolarHBondContact CB-O 3.32Å; I239-S320 WeakPolarHBondContact O-CB 3.37Å; I239-S320 PolarHBondContact O-OG 3.06Å; M283-S320 CarbonylContact O-C 3.54Å; M283-S320 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact O-N 3.33Å; S320-E322 VanDerWaalsContact O-N 3.12Å; S320-M323 VanDerWaalsContact O-CB 3.22Å; S320-M323 WeakPolarHBondContact O-CB 3.48Å; S320-M323 PolarHBondContact O-N 2.87Å; S320-M323 WeakPolarHBondContact OG-CE 3.38Å
321	L	97.6	Very high	98.5	Very high	41 Å²	41	18.6 Å²	18.6	22%	0.215	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-116.5	-172	-57.3	167.4	0	0	0	111	G77 V99 F100 A216 G284	G77-L321 VanDerWaalsContact CA-CD2 3.41Å; G77-L321 PolarHBondContact O-N 2.97Å; V99-L321 HydrophobicContact CG1-CD1 3.99Å; F100-L321 HydrophobicContact CE1-CD1 4.38Å; F100-L321 HydrophobicContact CE1-CG 4.26Å; F100-L321 HydrophobicContact CE2-CD1 4.12Å; F100-L321 HydrophobicContact CZ-CD1 3.77Å; F100-L321 HydrophobicContact CZ-CG 3.93Å; A216-L321 HydrophobicContact CB-CB 4.11Å; A216-L321 HydrophobicContact CB-CD1 4.35Å; G284-L321 WeakPolarHBondContact CA-O 3.45Å
322	E	97.2	Very high	98.5	Very high	65 Å²	65	21 Å²	21	30%	0.304	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	21.7	176.1	77.7	-76.4	-168.5	0	0	114.4	K26 T217 A285 S320 A324	K26-E322 IonicContact NZ-OE1 2.79Å; K26-E322 PolarHBondContact NZ-OE1 2.91Å; K26-E322 IonicContact NZ-OE2 3.86Å; K26-E322 PolarHBondContact NZ-OE2 3.3Å; T217-E322 WeakPolarHBondContact CA-OE1 3.35Å; T217-E322 WeakPolarHBondContact CB-OE1 3.42Å; T217-E322 PolarHBondContact N-OE1 3Å; T217-E322 PolarHBondContact OG1-OE1 2.77Å; A285-E322 HydrophobicContact CB-CB 4.36Å; A285-E322 WeakPolarHBondContact CB-O 3.17Å; S320-E322 PolarHBondContact O-N 3.33Å; S320-E322 VanDerWaalsContact O-N 3.12Å; E322-A324 PolarHBondContact O-N 3.4Å
323	M	98.4	Very high	98.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-56.4	126.4	171.7	-170.7	-178.7	-68.3	0	0	109.3	A212 S214 A216 F226 V237 M283 G284 A285 S320	A212-M323 HydrophobicContact CB-CG 4.37Å; A212-M323 HydrophobicContact CB-SD 4.07Å; S214-M323 WeakPolarHBondContact O-CG 3.43Å; A216-M323 HydrophobicContact CB-CB 4.16Å; F226-M323 HydrophobicContact CE1-CE 3.86Å; F226-M323 HydrophobicContact CZ-CE 4.41Å; V237-M323 HydrophobicContact CG1-CE 4.13Å; V237-M323 HydrophobicContact CG1-SD 4.07Å; M283-M323 CarbonylContact C-O 3.55Å; M283-M323 HydrophobicContact CB-CB 3.96Å; M283-M323 HydrophobicContact CB-CG 4.07Å; M283-M323 WeakPolarHBondContact CB-O 3.29Å; M283-M323 HydrophobicContact CB-SD 4.22Å; M283-M323 HydrophobicContact CE-SD 3.51Å; M283-M323 VanDerWaalsContact CE-SD 3.51Å; M283-M323 HydrophobicContact CG-SD 4.37Å; M283-M323 VanDerWaalsContact O-O 3.09Å; G284-M323 PolarHBondContact N-O 2.82Å; A285-M323 PolarHBondContact N-O 2.95Å; S320-M323 VanDerWaalsContact O-CB 3.22Å; S320-M323 WeakPolarHBondContact O-CB 3.48Å; S320-M323 PolarHBondContact O-N 2.87Å; S320-M323 WeakPolarHBondContact OG-CE 3.38Å
324	A	98.4	Very high	98.4	Very high	17 Å²	17	20 Å²	20	14%	0.14	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.6	168.7	0	0	0	0	0	108	A212 L213 S214 A285 E322	A212-A324 CarbonylContact C-O 3.57Å; A212-A324 WeakPolarHBondContact CA-O 3.41Å; L213-A324 HydrophobicContact CB-CB 4.04Å; L213-A324 PolarHBondContact N-O 3.4Å; S214-A324 PolarHBondContact N-O 3.41Å; S214-A324 PolarHBondContact O-N 2.62Å; S214-A324 VanDerWaalsContact OG-CB 3.24Å; S214-A324 WeakPolarHBondContact OG-CB 3.37Å; A285-A324 HydrophobicContact CB-CB 4.17Å; E322-A324 PolarHBondContact O-N 3.4Å
325	G	98.5	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.9	179.2	-172.3	0	0	0	0	0	113.1	I211 M283 T286	I211-G325 CarbonylContact O-C 3.59Å; I211-G325 WeakPolarHBondContact O-CA 3.25Å; M283-G325 VanDerWaalsContact CG-C 3.46Å; M283-G325 PolarHBondContact N-O 3.41Å; T286-G325 WeakPolarHBondContact CB-O 3.36Å; T286-G325 VanDerWaalsContact OG1-C 3.3Å; T286-G325 PolarHBondContact OG1-N 3.06Å; T286-G325 PolarHBondContact OG1-O 3.26Å
326	A	98.8	Very high	98.3	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.033	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	164.1	177.2	0	0	0	0	0	110.5	G210 I211 N281 L291 L294	G210-A326 CarbonylContact C-O 3.58Å; G210-A326 WeakPolarHBondContact CA-O 3.35Å; I211-A326 PolarHBondContact N-O 2.63Å; I211-A326 PolarHBondContact O-N 3.42Å; N281-A326 CarbonylContact O-C 3.13Å; N281-A326 WeakPolarHBondContact O-CA 3.31Å; N281-A326 WeakPolarHBondContact O-CB 3.48Å; L291-A326 HydrophobicContact CD2-CB 3.79Å; L294-A326 HydrophobicContact CD2-CB 3.65Å
327	S	98.8	Very high	98.2	Very high	4 Å²	4	26 Å²	26	3%	0.028	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.4	166.4	67.7	0	0	0	0	110.5	V209 V280 N281	V209-S327 VanDerWaalsContact O-CA 3.3Å; V209-S327 WeakPolarHBondContact O-CA 3.45Å; V280-S327 WeakPolarHBondContact CA-O 3.39Å; N281-S327 WeakPolarHBondContact CB-OG 3.31Å; N281-S327 PolarHBondContact N-O 3.24Å; N281-S327 PolarHBondContact O-N 3.2Å
328	I	98.9	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.6	168.8	-62.3	177.8	0	0	0	107.3	T208 V209 I260 I261 I264 L278 V280 L294 A298	T208-I328 VanDerWaalsContact CA-O 3.32Å; T208-I328 WeakPolarHBondContact CA-O 3.31Å; V209-I328 PolarHBondContact N-O 3.46Å; V209-I328 PolarHBondContact O-N 3.45Å; I260-I328 HydrophobicContact CB-CD1 4.2Å; I260-I328 HydrophobicContact CD1-CD1 3.95Å; I260-I328 HydrophobicContact CD1-CG1 4.17Å; I260-I328 HydrophobicContact CG2-CB 3.64Å; I260-I328 HydrophobicContact CG2-CD1 4Å; I260-I328 HydrophobicContact CG2-CG1 4.19Å; I260-I328 HydrophobicContact CG2-CG2 4.21Å; I261-I328 HydrophobicContact CD1-CG2 3.96Å; I264-I328 HydrophobicContact CD1-CG2 4.3Å; L278-I328 HydrophobicContact CD1-CG2 3.56Å; V280-I328 HydrophobicContact CG2-CG1 4.34Å; L294-I328 HydrophobicContact CD1-CD1 4.13Å; L294-I328 HydrophobicContact CD2-CD1 4.32Å; L294-I328 HydrophobicContact CD2-CG1 4.18Å; L294-I328 HydrophobicContact CG-CD1 4.11Å; L294-I328 HydrophobicContact CG-CG1 4.41Å; A298-I328 HydrophobicContact CB-CD1 3.92Å
329	T	98.9	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.2	172.4	-57.3	0	0	0	0	109.1	L177 I206 K207 T208 F279	L177-T329 HydrophobicContact CD1-CG2 3.88Å; I206-T329 HydrophobicContact CG2-CG2 3.5Å; I206-T329 VanDerWaalsContact CG2-CG2 3.5Å; K207-T329 CarbonylContact O-C 3.43Å; K207-T329 VanDerWaalsContact O-CA 3.28Å; K207-T329 WeakPolarHBondContact O-CA 3.31Å; T208-T329 VanDerWaalsContact CG2-OG1 3.31Å; T208-T329 WeakPolarHBondContact CG2-OG1 3.44Å; T208-T329 WeakPolarHBondContact OG1-CB 3.5Å; T208-T329 VanDerWaalsContact OG1-CG2 3.26Å; T208-T329 WeakPolarHBondContact OG1-CG2 3.24Å; T208-T329 PolarHBondContact OG1-OG1 3.32Å; F279-T329 HydrophobicContact CD1-CG2 4.35Å; F279-T329 PolarHBondContact N-O 3.4Å; F279-T329 PolarHBondContact O-N 3.47Å
330	L	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.6	167.3	-65.3	-174.2	0	0	0	110.4	I206 K207 I261 I264 F268 W270 Y276 G277 L278 L302	I206-L330 WeakPolarHBondContact CA-O 3.25Å; K207-L330 PolarHBondContact N-O 3.33Å; K207-L330 PolarHBondContact O-N 2.88Å; I261-L330 HydrophobicContact CD1-CD1 3.98Å; I261-L330 HydrophobicContact CD1-CD2 4.48Å; I261-L330 HydrophobicContact CD1-CG 4.37Å; I264-L330 HydrophobicContact CB-CD1 4.45Å; I264-L330 HydrophobicContact CD1-CG 4.28Å; I264-L330 HydrophobicContact CG2-CB 4.1Å; I264-L330 HydrophobicContact CG2-CD1 3.69Å; I264-L330 HydrophobicContact CG2-CG 4.15Å; F268-L330 HydrophobicContact CE2-CB 4.09Å; W270-L330 HydrophobicContact CH2-CD1 4.33Å; W270-L330 HydrophobicContact CZ3-CD1 3.86Å; Y276-L330 HydrophobicContact CD1-CB 4.21Å; G277-L330 WeakPolarHBondContact O-CA 3.49Å; L278-L330 HydrophobicContact CB-CD2 4.19Å; L278-L330 HydrophobicContact CD1-CD2 3.71Å; L302-L330 HydrophobicContact CD1-CD2 3.94Å; L302-L330 HydrophobicContact CD2-CD1 3.87Å
331	I	98.6	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.2	172.5	179.8	170.6	0	0	0	109.7	L177 I181 L202 D205 I206 Y276 G277 L333	L177-I331 HydrophobicContact CB-CD1 4.47Å; L177-I331 HydrophobicContact CD1-CB 4.01Å; L177-I331 HydrophobicContact CD1-CD1 4.42Å; L177-I331 HydrophobicContact CD1-CG2 3.87Å; I181-I331 HydrophobicContact CD1-CD1 3.59Å; L202-I331 HydrophobicContact CD1-CD1 3.93Å; D205-I331 VanDerWaalsContact O-CA 3.31Å; D205-I331 WeakPolarHBondContact O-CA 3.3Å; I206-I331 HydrophobicContact CD1-CD1 4.09Å; I206-I331 HydrophobicContact CG1-CB 4.12Å; I206-I331 HydrophobicContact CG1-CD1 3.89Å; I206-I331 HydrophobicContact CG1-CG1 3.83Å; Y276-I331 CarbonylContact C-O 3.58Å; Y276-I331 VanDerWaalsContact CA-O 3.26Å; Y276-I331 WeakPolarHBondContact CA-O 3.46Å; Y276-I331 VanDerWaalsContact CD1-O 3.24Å; Y276-I331 WeakPolarHBondContact CD1-O 3.47Å; G277-I331 PolarHBondContact N-O 2.69Å; G277-I331 PolarHBondContact O-N 2.67Å; G277-I331 VanDerWaalsContact O-N 3.17Å; I331-L333 HydrophobicContact CB-CD2 4.49Å; I331-L333 HydrophobicContact CD1-CD2 4.05Å; I331-L333 HydrophobicContact CG1-CD2 3.94Å; I331-L333 HydrophobicContact CG2-CD2 3.87Å; I331-L333 HydrophobicContact CG2-CG 4.22Å
332	K	97.9	Very high	98.3	Very high	66 Å²	66	33.3 Å²	33.3	29%	0.287	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.7	171.4	-175.2	166	-177.3	145.2	0	110.2	D205 F268 D274 Y276 R337	D205-K332 HydrophobicContact CB-CB 4.1Å; D205-K332 PolarHBondContact O-N 2.9Å; F268-K332 HydrophobicContact CE1-CB 4.03Å; D274-K332 IonicContact OD1-NZ 3.42Å; D274-K332 IonicContact OD2-NZ 2.78Å; D274-K332 PolarHBondContact OD2-NZ 3.34Å; Y276-K332 HydrophobicContact CD1-CB 4.3Å; Y276-K332 HydrophobicContact CE1-CB 3.77Å; Y276-K332 HydrophobicContact CE1-CG 4.34Å; K332-R337 WeakPolarHBondContact O-CD 3.4Å; K332-R337 PolarHBondContact O-NH1 3.45Å
333	L	98.2	Very high	98.3	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.058	16%	0.16	C	C	.	.			trans	-113.5	135.5	-172.6	-62.9	-179.2	0	0	0	112.7	K275 G277 T310 F311 I331 R337 L338 L341	K275-L333 HydrophobicContact CB-CB 4.37Å; K275-L333 PolarHBondContact O-N 3.06Å; G277-L333 VanDerWaalsContact N-CD1 3.33Å; T310-L333 WeakPolarHBondContact OG1-CD1 3.31Å; F311-L333 HydrophobicContact CB-CD1 3.66Å; I331-L333 HydrophobicContact CB-CD2 4.49Å; I331-L333 HydrophobicContact CD1-CD2 4.05Å; I331-L333 HydrophobicContact CG1-CD2 3.94Å; I331-L333 HydrophobicContact CG2-CD2 3.87Å; I331-L333 HydrophobicContact CG2-CG 4.22Å; L333-R337 HydrophobicContact CD2-CB 3.84Å; L333-L338 HydrophobicContact CD1-CD1 4.23Å; L333-L341 HydrophobicContact CD1-CD1 4.28Å; L333-L341 HydrophobicContact CD2-CD1 3.58Å
334	D	96.9	Very high	98.3	Very high	69 Å²	69	37.6 Å²	37.6	37%	0.369	19%	0.193	S	C	.	.			trans	-107.2	179	156.4	56.5	33	0	0	0	109.2	E336 R337 L338	D334-E336 PolarHBondContact O-N 3.45Å; D334-E336 PolarHBondContact OD1-N 2.76Å; D334-E336 VanDerWaalsContact OD1-N 3.16Å; D334-R337 WeakPolarHBondContact OD1-CB 3.47Å; D334-R337 WeakPolarHBondContact OD1-CG 3.49Å; D334-R337 PolarHBondContact OD1-N 2.9Å; D334-L338 VanDerWaalsContact O-CB 3.3Å; D334-L338 WeakPolarHBondContact O-CB 3.5Å; D334-L338 PolarHBondContact O-N 3.31Å
335	D	97.6	Very high	98.3	Very high	117 Å²	117	38.1 Å²	38.1	63%	0.626	20%	0.195	S	C	*	.	H	α-helix	trans	-66.2	-27	-177.4	-64.2	-20.1	0	0	0	112.1	K275 R339	K275-D335 IonicContact NZ-OD1 3.1Å; K275-D335 PolarHBondContact NZ-OD1 3.11Å; K275-D335 VanDerWaalsContact NZ-OD1 3.13Å; D335-R339 WeakPolarHBondContact O-CB 2.99Å; D335-R339 PolarHBondContact O-N 3.31Å; D335-R339 VanDerWaalsContact O-N 3.07Å
336	E	97.6	Very high	98.3	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-74.1	-51	178.9	-179	175.1	-119.1	0	0	111.6	D334 L338 R339 F340	D334-E336 PolarHBondContact O-N 3.45Å; D334-E336 PolarHBondContact OD1-N 2.76Å; D334-E336 VanDerWaalsContact OD1-N 3.16Å; E336-L338 VanDerWaalsContact C-N 3.29Å; E336-L338 PolarHBondContact O-N 3.05Å; E336-R339 WeakPolarHBondContact O-CB 3.42Å; E336-R339 PolarHBondContact O-N 2.82Å; E336-R339 VanDerWaalsContact O-N 3.12Å; E336-F340 HydrophobicContact CG-CD2 3.99Å; E336-F340 HydrophobicContact CG-CE2 3.52Å; E336-F340 HydrophobicContact CG-CZ 4.42Å; E336-F340 VanDerWaalsContact O-CD2 3.31Å; E336-F340 WeakPolarHBondContact O-CD2 3.06Å; E336-F340 PolarHBondContact O-N 3.06Å
337	R	98.3	Very high	98.3	Very high	22 Å²	22	42.9 Å²	42.9	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.1	-69.6	171.6	178.6	172.8	0.4	111.2	I181 Y198 D205 K332 L333 D334 R339 F340 L341	I181-R337 HydrophobicContact CD1-CB 4.27Å; I181-R337 HydrophobicContact CD1-CG 4.37Å; Y198-R337 WeakPolarHBondContact OH-CG 3.49Å; Y198-R337 PolarHBondContact OH-NE 3.12Å; D205-R337 IonicContact OD2-CZ 3.93Å; D205-R337 VanDerWaalsContact OD2-CZ 3.25Å; D205-R337 IonicContact OD2-NH1 2.74Å; D205-R337 PolarHBondContact OD2-NH1 3.15Å; D205-R337 IonicContact OD2-NH2 3.07Å; D205-R337 PolarHBondContact OD2-NH2 3.4Å; K332-R337 WeakPolarHBondContact O-CD 3.4Å; K332-R337 PolarHBondContact O-NH1 3.45Å; L333-R337 HydrophobicContact CD2-CB 3.84Å; D334-R337 WeakPolarHBondContact OD1-CB 3.47Å; D334-R337 WeakPolarHBondContact OD1-CG 3.49Å; D334-R337 PolarHBondContact OD1-N 2.9Å; R337-R339 VanDerWaalsContact C-N 3.31Å; R337-R339 PolarHBondContact O-N 3.48Å; R337-F340 PolarHBondContact O-N 3.01Å; R337-L341 WeakPolarHBondContact O-CG 3.26Å; R337-L341 PolarHBondContact O-N 3.27Å
338	L	98.5	Very high	98.3	Very high	31 Å²	31	44.8 Å²	44.8	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-39.5	176.9	-179.7	62.5	0	0	0	111.8	T310 F311 L333 D334 E336 L341 N342	T310-L338 WeakPolarHBondContact O-CD1 3.48Å; F311-L338 HydrophobicContact CB-CD1 4Å; L333-L338 HydrophobicContact CD1-CD1 4.23Å; D334-L338 VanDerWaalsContact O-CB 3.3Å; D334-L338 WeakPolarHBondContact O-CB 3.5Å; D334-L338 PolarHBondContact O-N 3.31Å; E336-L338 VanDerWaalsContact C-N 3.29Å; E336-L338 PolarHBondContact O-N 3.05Å; L338-L341 PolarHBondContact O-N 3.14Å; L338-N342 WeakPolarHBondContact CD1-ND2 3.44Å; L338-N342 PolarHBondContact O-N 3.29Å; L338-N342 VanDerWaalsContact O-N 3.16Å; L338-N342 PolarHBondContact O-ND2 3.48Å
339	R	98.5	Very high	98.2	Very high	105 Å²	105	45.9 Å²	45.9	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-48.9	174.9	-178.7	-176.2	66.8	96.9	-7.5	110.9	E188 D335 E336 R337 L341 N342 E343	E188-R339 IonicContact OE1-CZ 3.22Å; E188-R339 IonicContact OE1-NH1 2.67Å; E188-R339 PolarHBondContact OE1-NH1 2.85Å; E188-R339 IonicContact OE1-NH2 2.69Å; E188-R339 PolarHBondContact OE1-NH2 3.24Å; E188-R339 IonicContact OE2-NH2 3.33Å; E188-R339 PolarHBondContact OE2-NH2 2.93Å; D335-R339 WeakPolarHBondContact O-CB 2.99Å; D335-R339 PolarHBondContact O-N 3.31Å; D335-R339 VanDerWaalsContact O-N 3.07Å; E336-R339 WeakPolarHBondContact O-CB 3.42Å; E336-R339 PolarHBondContact O-N 2.82Å; E336-R339 VanDerWaalsContact O-N 3.12Å; R337-R339 VanDerWaalsContact C-N 3.31Å; R337-R339 PolarHBondContact O-N 3.48Å; R339-L341 PolarHBondContact O-N 2.86Å; R339-N342 PolarHBondContact O-N 2.98Å; R339-E343 PolarHBondContact O-N 3.16Å
340	F	98.6	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-38.1	179.3	-70.3	-54.6	0	0	0	113.1	K180 I181 G184 M185 E188 E336 R337 N342 E343	K180-F340 WeakPolarHBondContact CE-O 3.22Å; K180-F340 PolarHBondContact NZ-O 3.2Å; I181-F340 HydrophobicContact CB-CB 4.45Å; I181-F340 HydrophobicContact CG1-CB 4.23Å; I181-F340 HydrophobicContact CG2-CB 4.38Å; I181-F340 HydrophobicContact CG2-CD2 4.07Å; G184-F340 VanDerWaalsContact C-CE1 3.41Å; M185-F340 HydrophobicContact CB-CZ 4.36Å; M185-F340 HydrophobicContact CG-CD2 4.15Å; M185-F340 HydrophobicContact CG-CE1 4.19Å; M185-F340 HydrophobicContact CG-CE2 3.46Å; M185-F340 VanDerWaalsContact CG-CE2 3.46Å; M185-F340 HydrophobicContact CG-CZ 3.48Å; M185-F340 VanDerWaalsContact CG-CZ 3.48Å; M185-F340 HydrophobicContact SD-CE2 4.38Å; E188-F340 HydrophobicContact CG-CE1 4.37Å; E188-F340 WeakPolarHBondContact OE2-CZ 3.38Å; E336-F340 HydrophobicContact CG-CD2 3.99Å; E336-F340 HydrophobicContact CG-CE2 3.52Å; E336-F340 HydrophobicContact CG-CZ 4.42Å; E336-F340 VanDerWaalsContact O-CD2 3.31Å; E336-F340 WeakPolarHBondContact O-CD2 3.06Å; E336-F340 PolarHBondContact O-N 3.06Å; R337-F340 PolarHBondContact O-N 3.01Å; F340-N342 VanDerWaalsContact C-N 3.32Å; F340-N342 PolarHBondContact O-N 3.08Å; F340-E343 PolarHBondContact O-N 3.35Å
341	L	98.7	Very high	98.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-35.7	176.4	-73	174.2	0	0	0	113	L177 K180 I181 F311 L333 R337 L338 R339 W350	L177-L341 HydrophobicContact CD2-CD2 4.03Å; K180-L341 HydrophobicContact CB-CD2 4.19Å; K180-L341 HydrophobicContact CG-CD2 3.99Å; I181-L341 HydrophobicContact CD1-CD1 4.47Å; I181-L341 HydrophobicContact CD1-CD2 4.08Å; I181-L341 HydrophobicContact CD1-CG 4.1Å; I181-L341 HydrophobicContact CG1-CD2 3.92Å; I181-L341 HydrophobicContact CG1-CG 4.03Å; F311-L341 HydrophobicContact CB-CD1 4.4Å; F311-L341 HydrophobicContact CD1-CD1 3.93Å; F311-L341 HydrophobicContact CD2-CB 3.89Å; F311-L341 HydrophobicContact CD2-CD1 4.28Å; F311-L341 HydrophobicContact CE1-CD1 4.24Å; F311-L341 HydrophobicContact CE1-CD2 4.44Å; F311-L341 HydrophobicContact CE2-CB 3.81Å; F311-L341 HydrophobicContact CG-CB 4.4Å; F311-L341 HydrophobicContact CG-CD1 3.94Å; F311-L341 HydrophobicContact CZ-CB 4.27Å; F311-L341 HydrophobicContact CZ-CD2 4.34Å; L333-L341 HydrophobicContact CD1-CD1 4.28Å; L333-L341 HydrophobicContact CD2-CD1 3.58Å; R337-L341 WeakPolarHBondContact O-CG 3.26Å; R337-L341 PolarHBondContact O-N 3.27Å; L338-L341 PolarHBondContact O-N 3.14Å; R339-L341 PolarHBondContact O-N 2.86Å; L341-W350 HydrophobicContact CD2-CH2 4.24Å; L341-W350 HydrophobicContact CD2-CZ2 4.33Å
342	N	98.3	Very high	98.1	Very high	101 Å²	101	53.8 Å²	53.8	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-87.9	-11.4	179.3	-72	-52.1	0	0	0	114.1	L338 R339 F340	L338-N342 WeakPolarHBondContact CD1-ND2 3.44Å; L338-N342 PolarHBondContact O-N 3.29Å; L338-N342 VanDerWaalsContact O-N 3.16Å; L338-N342 PolarHBondContact O-ND2 3.48Å; R339-N342 PolarHBondContact O-N 2.98Å; F340-N342 VanDerWaalsContact C-N 3.32Å; F340-N342 PolarHBondContact O-N 3.08Å
343	E	98	Very high	98.1	Very high	47 Å²	47	53.2 Å²	53.2	22%	0.22	27%	0.271	C	S	.	.	S	Bend	trans	-64.4	132	-178.3	-165.1	-173.9	177.8	0	0	110.7	K180 R187 R339 F340	K180-E343 VanDerWaalsContact CE-O 3.3Å; K180-E343 WeakPolarHBondContact CE-O 3.46Å; K180-E343 PolarHBondContact NZ-O 3.31Å; R187-E343 VanDerWaalsContact CZ-CD 3.43Å; R187-E343 IonicContact CZ-OE1 2.65Å; R187-E343 IonicContact CZ-OE2 3.53Å; R187-E343 IonicContact NE-OE1 3.14Å; R187-E343 PolarHBondContact NE-OE1 2.52Å; R187-E343 VanDerWaalsContact NE-OE1 3.1Å; R187-E343 IonicContact NE-OE2 2.79Å; R187-E343 IonicContact NH1-OE1 2.76Å; R187-E343 VanDerWaalsContact NH2-CG 3.34Å; R187-E343 IonicContact NH2-OE1 2.69Å; R187-E343 PolarHBondContact NH2-OE1 2.94Å; R187-E343 IonicContact NH2-OE2 2.77Å; R187-E343 PolarHBondContact NH2-OE2 2.87Å; R339-E343 PolarHBondContact O-N 3.16Å; F340-E343 PolarHBondContact O-N 3.35Å
344	P	98.2	Very high	98.1	Very high	108 Å²	108	55.6 Å²	55.6	70%	0.701	28%	0.283	S	S	*	.			trans	-55.7	147	174.7	-25.7	34.8	0	0	0	113	R187	R187-P344 PolarHBondContact NH1-O 2.91Å; R187-P344 PolarHBondContact NH2-O 2.88Å; R187-P344 VanDerWaalsContact NH2-O 3.1Å
345	V	98.4	Very high	98.1	Very high	29 Å²	29	54.8 Å²	54.8	18%	0.176	28%	0.278	C	S	.	.			trans	-137.5	161.5	178.2	-60.6	0	0	0	0	109.3	D88 M90 K180 T347 W350	D88-V345 WeakPolarHBondContact O-CA 3.31Å; D88-V345 WeakPolarHBondContact O-CB 3.24Å; M90-V345 HydrophobicContact CG-CB 4.43Å; M90-V345 HydrophobicContact CG-CG1 4.03Å; M90-V345 HydrophobicContact SD-CG2 4.35Å; K180-V345 HydrophobicContact CD-CG1 3.94Å; V345-T347 HydrophobicContact CB-CG2 4.33Å; V345-T347 HydrophobicContact CG2-CG2 4.29Å; V345-W350 HydrophobicContact CG2-CB 3.85Å; V345-W350 HydrophobicContact CG2-CG 3.9Å
346	H	97.8	Very high	98.2	Very high	94 Å²	94	50.7 Å²	50.7	44%	0.435	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-117.6	80.2	174.1	-162.9	69.8	0	0	0	109.4	Y49 G87 D88	Y49-H346 AromaticContact CD1-CD2 3.78Å; Y49-H346 AromaticContact CD1-NE2 3.78Å; Y49-H346 AromaticContact CE1-CD2 3.69Å; Y49-H346 AromaticContact CE1-CE1 3.54Å; Y49-H346 AromaticContact CE1-CG 3.98Å; Y49-H346 AromaticContact CE1-ND1 3.89Å; Y49-H346 AromaticContact CE1-NE2 3.42Å; Y49-H346 WeakPolarHBondContact CE1-NE2 3.29Å; Y49-H346 AromaticContact CZ-CE1 3.78Å; Y49-H346 AromaticContact CZ-NE2 3.82Å; G87-H346 CarbonylContact C-O 3.25Å; G87-H346 VanDerWaalsContact CA-O 3.32Å; G87-H346 WeakPolarHBondContact CA-O 3.3Å; D88-H346 HydrophobicContact CB-CB 3.9Å; D88-H346 PolarHBondContact N-O 3.39Å; D88-H346 VanDerWaalsContact N-O 3.12Å; D88-H346 PolarHBondContact O-N 3.33Å
347	T	98.5	Very high	98.2	Very high	10 Å²	10	48.3 Å²	48.3	6%	0.061	25%	0.245	C	C	.	.			trans	-132.9	169.7	178.3	72.4	0	0	0	0	109.8	M90 V345 W350	M90-T347 HydrophobicContact CB-CG2 3.93Å; M90-T347 HydrophobicContact CG-CG2 4.06Å; M90-T347 HydrophobicContact SD-CG2 3.97Å; V345-T347 HydrophobicContact CB-CG2 4.33Å; V345-T347 HydrophobicContact CG2-CG2 4.29Å; T347-W350 WeakPolarHBondContact OG1-CB 3.47Å; T347-W350 PolarHBondContact OG1-N 2.98Å
348	I	98.4	Very high	98.2	Very high	45 Å²	45	50.3 Å²	50.3	23%	0.231	26%	0.257	C	S	.	.	S	Bend	trans	-73.2	-37	-179.9	-62.2	164.3	0	0	0	111.1	L42 Y46 Y49 V50 G84	L42-I348 HydrophobicContact CD1-CD1 3.97Å; Y46-I348 HydrophobicContact CD1-CD1 4.33Å; Y46-I348 HydrophobicContact CD1-CG1 4.05Å; Y46-I348 HydrophobicContact CD1-CG2 4.21Å; Y46-I348 HydrophobicContact CD2-CD1 3.66Å; Y46-I348 HydrophobicContact CD2-CG1 4.23Å; Y46-I348 HydrophobicContact CD2-CG2 4.21Å; Y46-I348 HydrophobicContact CE1-CG2 3.95Å; Y46-I348 HydrophobicContact CE2-CD1 4.42Å; Y46-I348 HydrophobicContact CE2-CG2 3.96Å; Y46-I348 HydrophobicContact CG-CD1 3.6Å; Y46-I348 HydrophobicContact CG-CG1 3.82Å; Y46-I348 HydrophobicContact CG-CG2 4.33Å; Y49-I348 HydrophobicContact CD1-CG1 4.31Å; Y49-I348 HydrophobicContact CD2-CG1 4.36Å; Y49-I348 HydrophobicContact CG-CG1 3.97Å; V50-I348 HydrophobicContact CG1-CD1 4.34Å; V50-I348 HydrophobicContact CG2-CD1 4.23Å; G84-I348 PolarHBondContact O-N 3.39Å; G84-I348 VanDerWaalsContact O-N 3.12Å
349	A	97.7	Very high	98.2	Very high	23 Å²	23	51.9 Å²	51.9	19%	0.19	27%	0.265	C	S	.	.			trans	-123.7	-1.7	-159.2	0	0	0	0	0	116.5	P80 G84 F85 Y317	P80-A349 HydrophobicContact CB-CB 3.41Å; P80-A349 VanDerWaalsContact CB-CB 3.41Å; P80-A349 HydrophobicContact CG-CB 3.64Å; G84-A349 WeakPolarHBondContact O-CB 3.17Å; G84-A349 PolarHBondContact O-N 3.49Å; F85-A349 HydrophobicContact CD1-CB 4.24Å; F85-A349 HydrophobicContact CE1-CB 3.84Å; F85-A349 HydrophobicContact CZ-CB 4.31Å; Y317-A349 VanDerWaalsContact CE1-O 3.3Å; Y317-A349 WeakPolarHBondContact CE1-O 3.41Å
350	W	97.2	Very high	98.2	Very high	59 Å²	59	47.1 Å²	47.1	22%	0.223	25%	0.253	C	S	.	.			trans	-101.1	0	173.6	-176.1	-85.7	0	0	0	112.2	F85 M90 V176 L177 K180 F311 K313 L341 V345 T347	F85-W350 HydrophobicContact CD1-CB 4.2Å; F85-W350 HydrophobicContact CE1-CB 4.37Å; F85-W350 HydrophobicContact CE1-CE3 4.43Å; M90-W350 HydrophobicContact CE-CB 4.37Å; M90-W350 HydrophobicContact CE-CD2 4.27Å; M90-W350 HydrophobicContact CE-CE3 4.12Å; M90-W350 HydrophobicContact CE-CG 4.39Å; M90-W350 HydrophobicContact SD-CB 3.48Å; M90-W350 WeakPolarHBondContact SD-CB 2.81Å; M90-W350 HydrophobicContact SD-CD2 4.2Å; M90-W350 HydrophobicContact SD-CG 3.73Å; V176-W350 HydrophobicContact CG1-CE3 3.95Å; V176-W350 HydrophobicContact CG1-CZ3 3.79Å; L177-W350 HydrophobicContact CD2-CH2 4.01Å; L177-W350 HydrophobicContact CD2-CZ3 4.39Å; K180-W350 HydrophobicContact CB-CH2 4.22Å; K180-W350 HydrophobicContact CB-CZ2 4.21Å; K180-W350 HydrophobicContact CB-CZ3 4.48Å; K180-W350 HydrophobicContact CD-CD2 3.92Å; K180-W350 HydrophobicContact CD-CG 4.13Å; K180-W350 HydrophobicContact CD-CZ2 3.94Å; K180-W350 HydrophobicContact CG-CD2 4.36Å; K180-W350 HydrophobicContact CG-CH2 4.14Å; K180-W350 HydrophobicContact CG-CZ2 3.63Å; F311-W350 HydrophobicContact CE1-CH2 4.46Å; F311-W350 HydrophobicContact CE2-CZ2 4.33Å; F311-W350 AromaticContact CZ-CH2 3.78Å; F311-W350 HydrophobicContact CZ-CH2 3.78Å; F311-W350 AromaticContact CZ-CZ2 3.8Å; F311-W350 HydrophobicContact CZ-CZ2 3.8Å; K313-W350 PolarHBondContact NZ-O 2.75Å; L341-W350 HydrophobicContact CD2-CH2 4.24Å; L341-W350 HydrophobicContact CD2-CZ2 4.33Å; V345-W350 HydrophobicContact CG2-CB 3.85Å; V345-W350 HydrophobicContact CG2-CG 3.9Å; T347-W350 WeakPolarHBondContact OG1-CB 3.47Å; T347-W350 PolarHBondContact OG1-N 2.98Å

Retrieved 350 of 350 residues in 448.7 ms (Link to these results)

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