A0A087XNJ4_POEFO Loading...

NAD kinase 2, mitochondrial

Mitochondrial NAD(+) kinase that phosphorylates NAD(+) to yield NADP(+). Can use both ATP or inorganic polyphosphate as the phosphoryl donor.

AlphaFold DB , UniProt , Accession A0A087XNJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	30.4	Very low	251 Å²	251	159.1 Å²	159.1	100%	1.236	84%	0.836	S	S	*	*				0	124.8	0	-73.9	178.7	-166.8	0	0	108.5
2	A	32.9	Very low	30.2	Very low	93 Å²	93	163.2 Å²	163.2	77%	0.769	84%	0.842	S	S	*	*			trans	-96.1	139.1	173.7	0	0	0	0	0	109.5
3	R	30.4	Very low	30	Very low	251 Å²	251	156.3 Å²	156.3	95%	0.947	84%	0.836	S	S	*	*				172.1	147.4	104	-91.3	-176.9	177.3	-172.8	-0.3	111.8
4	C	27.9	Very low	29.8	Very low	111 Å²	111	153.5 Å²	153.5	75%	0.75	84%	0.835	S	S	*	*			trans	-82.6	160.3	-174.9	-164.8	0	0	0	0	112.1
5	P	37.5	Very low	29.7	Very low	118 Å²	118	159.7 Å²	159.7	77%	0.766	84%	0.841	S	S	*	*			trans	-107.1	132.6	150.7	29.5	-15.2	0	0	0	111.4
6	V	30.8	Very low	29.7	Very low	119 Å²	119	158.2 Å²	158.2	72%	0.721	84%	0.84	S	S	*	*			trans	-78.3	127.3	-177.5	174.3	0	0	0	0	110
7	V	29.3	Very low	29.6	Very low	123 Å²	123	154.7 Å²	154.7	75%	0.745	84%	0.838	S	S	*	*			trans	-98.9	112.2	166.8	177.9	0	0	0	0	107.4	L9	V7-L9 HydrophobicContact CG1-CD1 4.35Å; V7-L9 PolarHBondContact O-N 2.62Å
8	N	27.3	Very low	29.4	Very low	147 Å²	147	159.1 Å²	159.1	79%	0.786	84%	0.841	S	S	*	*			trans	-86.1	101.3	172.1	-93.1	-14.3	0	0	0	109.9
9	L	28.1	Very low	29.4	Very low	144 Å²	144	157.1 Å²	157.1	75%	0.754	84%	0.841	S	S	*	*			trans	-74.4	120.5	158.8	-114.3	91.3	0	0	0	108.6	V7	V7-L9 HydrophobicContact CG1-CD1 4.35Å; V7-L9 PolarHBondContact O-N 2.62Å
10	L	27.3	Very low	29.3	Very low	159 Å²	159	152.5 Å²	152.5	83%	0.832	83%	0.833	S	S	*	*			trans	-108.8	113.3	160.2	-87.4	162.9	0	0	0	109
11	R	25.8	Very low	29.4	Very low	234 Å²	234	155.5 Å²	155.5	88%	0.883	84%	0.838	S	S	*	*			trans	-66.4	122.6	175.3	-74.1	175.5	168.1	179.6	-4.3	110
12	F	27.8	Very low	29	Very low	208 Å²	208	151.2 Å²	151.2	91%	0.912	82%	0.819	S	S	*	*			trans	-82.7	115.4	160.3	-86.5	-86.6	0	0	0	109.2
13	G	27.1	Very low	29	Very low	74 Å²	74	157.4 Å²	157.4	76%	0.763	82%	0.823	S	S	*	*			trans	-70.2	125.4	171.8	0	0	0	0	0	110.8	R15	G13-R15 PolarHBondContact O-N 3.44Å
14	S	27.6	Very low	29	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	81%	0.813	S	S	*	*			trans	-64	117.9	169.4	49.9	0	0	0	0	111.1
15	R	28.3	Very low	29.2	Very low	247 Å²	247	152.6 Å²	152.6	93%	0.932	81%	0.814	S	S	*	*			trans	-128.7	120	154.5	-79.7	-170	-179.9	-172.2	1.4	109.7	G13 A17	G13-R15 PolarHBondContact O-N 3.44Å; R15-A17 PolarHBondContact O-N 3.03Å
16	V	29.8	Very low	28.8	Very low	135 Å²	135	155.5 Å²	155.5	82%	0.818	82%	0.817	S	S	*	*			trans	-52.4	115.5	175	175.6	0	0	0	0	110	R18	V16-R18 PolarHBondContact O-N 3Å
17	A	27.4	Very low	28.7	Very low	99 Å²	99	153.8 Å²	153.8	82%	0.818	82%	0.815	S	S	*	*			trans	-85.8	105.6	166.7	0	0	0	0	0	108.3	R15	R15-A17 PolarHBondContact O-N 3.03Å
18	R	26.8	Very low	28.7	Very low	233 Å²	233	152.6 Å²	152.6	88%	0.879	82%	0.818	S	S	*	*			trans	-69.4	128.2	167.1	-84.1	-178.1	170.4	177.7	-3.1	108.9	V16	V16-R18 PolarHBondContact O-N 3Å
19	S	29.9	Very low	29	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	82%	0.818	S	S	*	*			trans	-59.1	126	167.5	42.9	0	0	0	0	110.7
20	G	26	Very low	29.3	Very low	65 Å²	65	147 Å²	147	67%	0.67	82%	0.821	S	S	*	*			trans	-150.8	94	172.8	0	0	0	0	0	108.6	L22	G20-L22 PolarHBondContact O-N 2.88Å; G20-L22 VanDerWaalsContact O-N 3.16Å
21	F	32.2	Very low	29.3	Very low	215 Å²	215	142.8 Å²	142.8	94%	0.943	82%	0.816	S	S	*	*			trans	-60.6	110.5	166.5	-88.4	-95.3	0	0	0	108.6
22	L	28	Very low	30	Very low	161 Å²	161	136.6 Å²	136.6	84%	0.843	81%	0.809	S	S	*	*			trans	-128.1	106.1	165.1	-79.2	166.9	0	0	0	108.1	G20	G20-L22 PolarHBondContact O-N 2.88Å; G20-L22 VanDerWaalsContact O-N 3.16Å
23	R	33	Very low	30.3	Very low	223 Å²	223	131 Å²	131	84%	0.842	80%	0.795	S	S	*	*			trans	-56.7	138.3	161.3	-75.3	176.8	168.6	180	-4.2	108.8	L25	R23-L25 PolarHBondContact O-N 3.33Å
24	P	30.9	Very low	30.9	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	80%	0.797	S	S	*	*			trans	-86.5	97.4	151.7	3.2	15.9	0	0	0	107.9	H26	P24-H26 VanDerWaalsContact C-N 3.34Å; P24-H26 PolarHBondContact O-N 2.95Å
25	L	32.1	Very low	31.7	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	79%	0.794	S	S	*	*			trans	-65.6	99.8	149.5	-89.1	153.7	0	0	0	106.1	R23 A27	R23-L25 PolarHBondContact O-N 3.33Å; L25-A27 PolarHBondContact O-N 2.91Å
26	H	28.8	Very low	32.2	Very low	179 Å²	179	129.3 Å²	129.3	83%	0.829	78%	0.784	S	S	*	*			trans	-73.7	78.6	158.3	-93.3	-66.5	0	0	0	108.1	P24 A28	P24-H26 VanDerWaalsContact C-N 3.34Å; P24-H26 PolarHBondContact O-N 2.95Å; H26-A28 PolarHBondContact O-N 2.79Å
27	A	29	Very low	33.6	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	77%	0.773	S	S	*	*			trans	-64.1	107.8	148.2	0	0	0	0	0	105.8	L25 A29	L25-A27 PolarHBondContact O-N 2.91Å; A27-A29 VanDerWaalsContact C-N 3.3Å; A27-A29 PolarHBondContact O-N 3.1Å
28	A	30.6	Very low	35.9	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	77%	0.766	S	S	*	*			trans	-61.6	100.5	165.7	0	0	0	0	0	106.9	H26 G30	H26-A28 PolarHBondContact O-N 2.79Å; A28-G30 PolarHBondContact O-N 3.5Å; A28-G30 VanDerWaalsContact O-N 3.17Å
29	A	31.6	Very low	38.4	Very low	94 Å²	94	121.1 Å²	121.1	78%	0.777	74%	0.74	S	S	*	*			trans	-55.1	120.9	169.2	0	0	0	0	0	107.6	A27 G31	A27-A29 VanDerWaalsContact C-N 3.3Å; A27-A29 PolarHBondContact O-N 3.1Å; A29-G31 PolarHBondContact O-N 3.04Å
30	G	35.1	Very low	41	Very low	80 Å²	80	116.5 Å²	116.5	83%	0.825	70%	0.704	S	S	*	*			trans	-61.2	96	174.2	0	0	0	0	0	110	A28 S32	A28-G30 PolarHBondContact O-N 3.5Å; A28-G30 VanDerWaalsContact O-N 3.17Å; G30-S32 PolarHBondContact O-N 3.17Å
31	G	28.3	Very low	44.1	Very low	70 Å²	70	120.7 Å²	120.7	72%	0.722	70%	0.704	S	S	*	*			trans	-73.7	103.8	153.5	0	0	0	0	0	107.1	A29 S33	A29-G31 PolarHBondContact O-N 3.04Å; G31-S33 VanDerWaalsContact C-N 3.29Å; G31-S33 PolarHBondContact O-N 3.04Å
32	S	39.5	Very low	47	Very low	104 Å²	104	111 Å²	111	73%	0.727	66%	0.663	S	S	*	*			trans	-64.4	95.2	165.9	61.9	0	0	0	0	107.7	G30 T34	G30-S32 PolarHBondContact O-N 3.17Å; S32-T34 VanDerWaalsContact C-N 3.34Å; S32-T34 PolarHBondContact O-N 2.81Å
33	S	34.7	Very low	50.3	Low	89 Å²	89	109.4 Å²	109.4	62%	0.622	66%	0.655	S	S	*	*			trans	-66.8	100	163.4	53.2	0	0	0	0	107.4	G31 E35	G31-S33 VanDerWaalsContact C-N 3.29Å; G31-S33 PolarHBondContact O-N 3.04Å; S33-E35 PolarHBondContact O-N 3.09Å
34	T	39.9	Very low	53.5	Low	132 Å²	132	102.7 Å²	102.7	81%	0.81	63%	0.63	S	S	*	*			trans	-78.7	49	171.3	51.9	0	0	0	0	110.2	S32	S32-T34 VanDerWaalsContact C-N 3.34Å; S32-T34 PolarHBondContact O-N 2.81Å
35	E	43.2	Very low	56.7	Low	159 Å²	159	97.3 Å²	97.3	74%	0.743	60%	0.595	S	S	*	*	S	Bend	trans	-89.6	135.1	159.3	-70.5	-152.5	162.6	0	0	107.5	S33 R37	S33-E35 PolarHBondContact O-N 3.09Å; E35-R37 PolarHBondContact O-N 3.32Å
36	P	39.6	Very low	59.9	Low	113 Å²	113	90.3 Å²	90.3	73%	0.734	56%	0.558	S	S	*	*			trans	-56.2	114.5	172.6	23	-30.2	0	0	0	107.5	T38	P36-T38 PolarHBondContact O-N 3.26Å
37	R	58.7	Low	63.2	Low	153 Å²	153	81.8 Å²	81.8	58%	0.577	52%	0.518	S	S	*	.			trans	-67.9	90.1	176.5	-66.4	-167.4	-178.7	179.4	-3.3	107.5	E35 G39 G186	E35-R37 PolarHBondContact O-N 3.32Å; R37-G39 PolarHBondContact O-N 2.94Å; R37-G39 VanDerWaalsContact O-N 3.1Å; R37-G186 WeakPolarHBondContact CD-O 3.48Å
38	T	76.3	Confident	66.5	Low	110 Å²	110	77.9 Å²	77.9	68%	0.675	49%	0.486	S	S	*	.			trans	-60.6	116.1	175.8	54.4	0	0	0	0	107.8	P36	P36-T38 PolarHBondContact O-N 3.26Å
39	G	79.8	Confident	69.6	Low	32 Å²	32	73.9 Å²	73.9	33%	0.33	45%	0.452	S	S	.	.			trans	-58.1	150.6	177.2	0	0	0	0	0	112.2	R37 K41 C184	R37-G39 PolarHBondContact O-N 2.94Å; R37-G39 VanDerWaalsContact O-N 3.1Å; G39-K41 PolarHBondContact O-N 2.84Å; G39-C184 WeakPolarHBondContact CA-O 3.26Å
40	F	84.1	Confident	72.6	Confident	24 Å²	24	72 Å²	72	11%	0.105	43%	0.426	C	S	.	.			trans	-88.8	103.3	173.1	169.8	-108.1	0	0	0	109.1	P42 A128 P151 V153 L183 F188 W190	F40-P42 HydrophobicContact CE1-CG 3.89Å; F40-P42 HydrophobicContact CE2-CB 4.22Å; F40-P42 HydrophobicContact CE2-CG 4.06Å; F40-P42 HydrophobicContact CZ-CB 4.14Å; F40-P42 HydrophobicContact CZ-CG 3.59Å; F40-A128 HydrophobicContact CE2-CB 3.58Å; F40-A128 HydrophobicContact CZ-CB 3.29Å; F40-P151 HydrophobicContact CD2-CB 4.35Å; F40-P151 HydrophobicContact CD2-CG 4.08Å; F40-P151 HydrophobicContact CE2-CB 3.68Å; F40-P151 HydrophobicContact CE2-CG 3.6Å; F40-P151 HydrophobicContact CZ-CB 4.13Å; F40-P151 HydrophobicContact CZ-CG 4.5Å; F40-V153 HydrophobicContact CE1-CG2 4.4Å; F40-L183 HydrophobicContact CB-CB 4.29Å; F40-L183 HydrophobicContact CD1-CB 3.89Å; F40-L183 HydrophobicContact CD1-CD1 3.98Å; F40-L183 HydrophobicContact CD1-CG 4.42Å; F40-L183 HydrophobicContact CE1-CD1 4.26Å; F40-L183 PolarHBondContact N-O 2.76Å; F40-F188 HydrophobicContact CB-CE1 3.88Å; F40-F188 HydrophobicContact CB-CZ 3.76Å; F40-W190 HydrophobicContact CD2-CH2 4Å; F40-W190 HydrophobicContact CD2-CZ2 4.48Å; F40-W190 HydrophobicContact CG-CH2 4.36Å
41	K	90.1	Very high	75.2	Confident	153 Å²	153	70.3 Å²	70.3	67%	0.665	40%	0.4	S	S	*	.			trans	-127.5	83.2	179.5	-65.4	-175	-179.6	-177	0	109.9	G39 C184	G39-K41 PolarHBondContact O-N 2.84Å; K41-C184 VanDerWaalsContact CE-O 3.26Å; K41-C184 WeakPolarHBondContact CE-O 3.17Å; K41-C184 HydrophobicContact CG-CB 4.16Å
42	P	94.6	Very high	78.2	Confident	13 Å²	13	67.3 Å²	67.3	8%	0.084	37%	0.368	C	S	.	.			trans	-75.3	142	176.7	32	-34.9	0	0	0	110.8	F40 V45 V108 D127 A128	F40-P42 HydrophobicContact CE1-CG 3.89Å; F40-P42 HydrophobicContact CE2-CB 4.22Å; F40-P42 HydrophobicContact CE2-CG 4.06Å; F40-P42 HydrophobicContact CZ-CB 4.14Å; F40-P42 HydrophobicContact CZ-CG 3.59Å; P42-V45 HydrophobicContact CB-CG2 3.8Å; P42-V45 HydrophobicContact CG-CG2 3.48Å; P42-V45 VanDerWaalsContact CG-CG2 3.48Å; P42-V108 WeakPolarHBondContact O-CG2 3.31Å; P42-D127 HydrophobicContact CB-CB 4.08Å; P42-A128 HydrophobicContact CB-CB 4.17Å; P42-A128 HydrophobicContact CG-CB 4.49Å
43	D	97.4	Very high	80.5	Confident	126 Å²	126	68.4 Å²	68.4	67%	0.674	36%	0.356	S	S	*	.	S	Bend	trans	-81.9	-34.7	172.4	-63.4	-39.3	0	0	0	110.8	E109 D127	D43-E109 PolarHBondContact O-N 3.4Å; D43-D127 PolarHBondContact N-OD2 3.44Å
44	R	98.5	Very high	83.2	Confident	83 Å²	83	65.3 Å²	65.3	31%	0.313	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.6	179.9	-65.8	171	-61.4	171.4	10.2	112.1	E109 W125 D127 A128	R44-E109 CarbonylContact C-O 3.59Å; R44-E109 WeakPolarHBondContact CA-O 3.49Å; R44-E109 HydrophobicContact CG-CB 4.03Å; R44-W125 HydrophobicContact CB-CH2 3.84Å; R44-W125 HydrophobicContact CB-CZ2 3.75Å; R44-W125 HydrophobicContact CB-CZ3 4.31Å; R44-W125 HydrophobicContact CG-CH2 4.35Å; R44-W125 HydrophobicContact CG-CZ2 3.79Å; R44-W125 PolarHBondContact NE-O 3.39Å; R44-W125 PolarHBondContact NH2-O 2.92Å; R44-D127 IonicContact CZ-OD1 3.07Å; R44-D127 PolarHBondContact N-OD2 3.44Å; R44-D127 IonicContact NE-OD1 2.61Å; R44-D127 IonicContact NE-OD2 3.82Å; R44-D127 IonicContact NH2-OD1 2.8Å; R44-D127 PolarHBondContact NH2-OD1 3.22Å; R44-D127 PolarHBondContact O-N 3.07Å; R44-A128 PolarHBondContact O-N 3.33Å
45	V	98.7	Very high	85.5	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.2	178	173.1	0	0	0	0	111.3	P42 V47 L103 V108 E109 V110 R111 A128 V130	P42-V45 HydrophobicContact CB-CG2 3.8Å; P42-V45 HydrophobicContact CG-CG2 3.48Å; P42-V45 VanDerWaalsContact CG-CG2 3.48Å; V45-V47 HydrophobicContact CG1-CG2 4.17Å; V45-L103 HydrophobicContact CB-CD1 4.35Å; V45-L103 HydrophobicContact CG1-CD1 3.89Å; V45-L103 HydrophobicContact CG2-CD2 4.43Å; V45-V108 HydrophobicContact CB-CG1 3.88Å; V45-V108 HydrophobicContact CG2-CG1 3.58Å; V45-E109 PolarHBondContact N-O 2.97Å; V45-V110 WeakPolarHBondContact O-CA 3.25Å; V45-R111 PolarHBondContact O-N 3.05Å; V45-A128 WeakPolarHBondContact CA-O 3.5Å; V45-A128 HydrophobicContact CG2-CB 4.44Å; V45-V130 HydrophobicContact CG1-CB 4.19Å; V45-V130 HydrophobicContact CG1-CG2 3.62Å
46	A	98.7	Very high	87.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.7	165.6	0	0	0	0	0	109.1	R111 V122 W125 A126 A128 I129 V130	A46-R111 CarbonylContact C-O 3.54Å; A46-R111 WeakPolarHBondContact CA-O 3.43Å; A46-V122 HydrophobicContact CB-CG1 3.64Å; A46-W125 HydrophobicContact CB-CZ3 4.25Å; A46-A126 HydrophobicContact CB-CB 3.7Å; A46-A128 PolarHBondContact N-O 3.33Å; A46-I129 HydrophobicContact CB-CG2 4.49Å; A46-I129 WeakPolarHBondContact O-CA 3.16Å; A46-V130 PolarHBondContact O-N 2.77Å
47	V	98.8	Very high	89.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	102.4	172.2	179.7	0	0	0	0	107.7	V45 V96 V99 V100 L103 V110 R111 V112 V113 V130 A132	V45-V47 HydrophobicContact CG1-CG2 4.17Å; V47-V96 HydrophobicContact CG1-CG1 4.43Å; V47-V99 HydrophobicContact CG2-CG1 4.49Å; V47-V100 HydrophobicContact CB-CG2 4.46Å; V47-V100 HydrophobicContact CG1-CG2 4.39Å; V47-V100 HydrophobicContact CG2-CG2 4.23Å; V47-L103 HydrophobicContact CG2-CD1 3.8Å; V47-V110 HydrophobicContact CB-CG1 4.38Å; V47-V110 HydrophobicContact CG2-CG1 3.64Å; V47-R111 PolarHBondContact N-O 3.25Å; V47-V112 CarbonylContact O-C 3.59Å; V47-V112 WeakPolarHBondContact O-CA 3.4Å; V47-V113 PolarHBondContact O-N 3.27Å; V47-V130 CarbonylContact C-O 3.5Å; V47-V130 WeakPolarHBondContact CA-O 3.35Å; V47-V130 HydrophobicContact CG2-CB 4.2Å; V47-A132 HydrophobicContact CG1-CB 3.82Å
48	V	98.4	Very high	91	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.5	179.2	-176.8	0	0	0	0	108.7	V113 Y118 I129 V130 A132 T137 L140 V141	V48-V113 WeakPolarHBondContact CA-O 3.46Å; V48-Y118 HydrophobicContact CG1-CD2 4.43Å; V48-Y118 HydrophobicContact CG1-CG 4.17Å; V48-Y118 HydrophobicContact CG2-CD2 3.46Å; V48-Y118 VanDerWaalsContact CG2-CD2 3.46Å; V48-Y118 HydrophobicContact CG2-CE2 3.64Å; V48-Y118 HydrophobicContact CG2-CG 4.04Å; V48-I129 HydrophobicContact CG2-CG2 3.76Å; V48-V130 PolarHBondContact N-O 2.89Å; V48-A132 PolarHBondContact O-N 3.09Å; V48-T137 HydrophobicContact CG1-CG2 4.49Å; V48-T137 WeakPolarHBondContact O-CG2 3.08Å; V48-L140 HydrophobicContact CG1-CD2 4.17Å; V48-V141 HydrophobicContact CB-CG2 3.65Å; V48-V141 HydrophobicContact CG1-CG2 3.88Å; V48-V141 HydrophobicContact CG2-CG2 3.85Å
49	T	96.7	Very high	91.2	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.7	-174.5	-169.9	0	0	0	0	112.2	H92 V112 V113 R114 A132	T49-H92 PolarHBondContact OG1-CE1 3.45Å; T49-H92 VanDerWaalsContact OG1-CE1 3.27Å; T49-H92 PolarHBondContact OG1-NE2 3.02Å; T49-V112 HydrophobicContact CG2-CG1 4.26Å; T49-V113 PolarHBondContact N-O 3.21Å; T49-R114 HydrophobicContact CG2-CG 4.05Å; T49-A132 WeakPolarHBondContact CA-O 3.38Å
50	K	92.8	Very high	91.1	Very high	53 Å²	53	47.4 Å²	47.4	23%	0.23	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-65.7	147.7	171.2	71.5	173.5	173	160.2	0	110.2	T52 H92 A132 T137	K50-T52 HydrophobicContact CG-CG2 4.48Å; K50-H92 WeakPolarHBondContact CE-ND1 3.29Å; K50-H92 WeakPolarHBondContact CG-CE1 3.26Å; K50-H92 PolarHBondContact O-NE2 2.89Å; K50-A132 PolarHBondContact N-O 3.44Å; K50-T137 VanDerWaalsContact CB-OG1 3.29Å; K50-T137 WeakPolarHBondContact CB-OG1 3.42Å
51	T	90.6	Very high	90.7	Very high	46 Å²	46	47.7 Å²	47.7	28%	0.282	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-77.7	120.4	159.8	-52.3	0	0	0	0	107.7	E55 F56	T51-E55 HydrophobicContact CG2-CB 4.16Å; T51-F56 HydrophobicContact CG2-CB 4.37Å
52	T	91.4	Very high	89.7	Confident	7 Å²	7	49 Å²	49	4%	0.043	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-73.9	155.2	177.8	62.2	0	0	0	0	110.9	K50 Y54 E55 F56 H89 H92	K50-T52 HydrophobicContact CG-CG2 4.48Å; T52-Y54 PolarHBondContact O-N 3.2Å; T52-E55 WeakPolarHBondContact CB-OE2 3.38Å; T52-E55 PolarHBondContact N-OE2 3.48Å; T52-E55 PolarHBondContact O-N 3.41Å; T52-E55 VanDerWaalsContact OG1-CG 3.3Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 2.87Å; T52-E55 PolarHBondContact OG1-OE2 3.08Å; T52-F56 WeakPolarHBondContact O-CB 3.4Å; T52-F56 PolarHBondContact O-N 3.28Å; T52-H89 PolarHBondContact OG1-ND1 2.87Å; T52-H92 HydrophobicContact CG2-CB 4.1Å; T52-H92 WeakPolarHBondContact CG2-CD2 3.29Å
53	R	88.7	Confident	88.1	Confident	127 Å²	127	58.5 Å²	58.5	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-33	174.7	-178.6	170.5	178	-161	-5.2	112	F56 E57 S80 L85	R53-F56 PolarHBondContact O-N 2.92Å; R53-E57 HydrophobicContact CG-CG 4.29Å; R53-E57 IonicContact NE-OE1 3.45Å; R53-E57 IonicContact NH2-OE1 2.8Å; R53-E57 VanDerWaalsContact O-CG 3.23Å; R53-E57 WeakPolarHBondContact O-CG 3.27Å; R53-E57 PolarHBondContact O-N 3.42Å; R53-S80 PolarHBondContact NH2-OG 3.5Å; R53-L85 HydrophobicContact CB-CD2 4.04Å; R53-L85 HydrophobicContact CG-CD1 4.4Å; R53-L85 HydrophobicContact CG-CD2 3.9Å
54	Y	90.3	Very high	86.8	Confident	24 Å²	24	55.6 Å²	55.6	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-54.9	172.8	178.4	-102.6	0	0	0	111.9	T52 F56 E57 Q58 Y82 L85 L86 H89	T52-Y54 PolarHBondContact O-N 3.2Å; Y54-F56 VanDerWaalsContact C-N 3.29Å; Y54-F56 PolarHBondContact O-N 2.91Å; Y54-E57 PolarHBondContact O-N 3.37Å; Y54-Q58 HydrophobicContact CD1-CG 4.43Å; Y54-Q58 HydrophobicContact CE1-CG 4.11Å; Y54-Q58 VanDerWaalsContact CE1-NE2 3.3Å; Y54-Q58 HydrophobicContact CE2-CG 4.43Å; Y54-Q58 WeakPolarHBondContact O-CB 3.37Å; Y54-Q58 WeakPolarHBondContact O-CG 3.27Å; Y54-Q58 PolarHBondContact O-N 2.84Å; Y54-Q58 PolarHBondContact OH-NE2 2.63Å; Y54-Y82 HydrophobicContact CD2-CE2 4.36Å; Y54-Y82 HydrophobicContact CE2-CD2 4.29Å; Y54-Y82 AromaticContact CE2-CE2 3.52Å; Y54-Y82 HydrophobicContact CE2-CE2 3.52Å; Y54-Y82 AromaticContact CE2-CZ 3.72Å; Y54-Y82 PolarHBondContact OH-OH 3.19Å; Y54-L85 HydrophobicContact CD2-CB 4.24Å; Y54-L86 HydrophobicContact CD2-CB 4.17Å; Y54-L86 HydrophobicContact CE1-CD1 4.01Å; Y54-L86 HydrophobicContact CE2-CB 3.94Å; Y54-L86 HydrophobicContact CE2-CD1 3.97Å; Y54-L86 HydrophobicContact CE2-CG 4.47Å; Y54-H89 HydrophobicContact CD1-CB 3.94Å; Y54-H89 AromaticContact CD1-CD2 3.86Å; Y54-H89 AromaticContact CD1-CG 3.67Å; Y54-H89 HydrophobicContact CG-CB 4.03Å
55	E	88.9	Confident	85.6	Confident	33 Å²	33	55 Å²	55	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-39.6	178	-72.4	163.8	129.2	0	0	111.9	T51 T52 Q58 Q59 H89	T51-E55 HydrophobicContact CG2-CB 4.16Å; T52-E55 WeakPolarHBondContact CB-OE2 3.38Å; T52-E55 PolarHBondContact N-OE2 3.48Å; T52-E55 PolarHBondContact O-N 3.41Å; T52-E55 VanDerWaalsContact OG1-CG 3.3Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 2.87Å; T52-E55 PolarHBondContact OG1-OE2 3.08Å; E55-Q58 PolarHBondContact O-N 3.09Å; E55-Q59 WeakPolarHBondContact O-CB 3.4Å; E55-Q59 VanDerWaalsContact O-CG 3.26Å; E55-Q59 WeakPolarHBondContact O-CG 3.5Å; E55-Q59 PolarHBondContact O-N 3.4Å; E55-H89 VanDerWaalsContact CD-CE1 3.45Å; E55-H89 IonicContact OE1-CE1 3.98Å; E55-H89 IonicContact OE2-CE1 3.93Å; E55-H89 IonicContact OE2-ND1 2.94Å
56	F	86.8	Confident	84.5	Confident	29 Å²	29	58.3 Å²	58.3	13%	0.127	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-50.1	177.8	176.9	-95.8	0	0	0	112.1	T51 T52 R53 Y54 Q59 R60 E214 Q216	T51-F56 HydrophobicContact CG2-CB 4.37Å; T52-F56 WeakPolarHBondContact O-CB 3.4Å; T52-F56 PolarHBondContact O-N 3.28Å; R53-F56 PolarHBondContact O-N 2.92Å; Y54-F56 VanDerWaalsContact C-N 3.29Å; Y54-F56 PolarHBondContact O-N 2.91Å; F56-Q59 PolarHBondContact O-N 3.24Å; F56-R60 WeakPolarHBondContact O-CB 3.45Å; F56-R60 PolarHBondContact O-N 3.47Å; F56-E214 WeakPolarHBondContact CE2-O 3.49Å; F56-Q216 HydrophobicContact CE1-CG 4.31Å; F56-Q216 HydrophobicContact CE2-CG 4.36Å; F56-Q216 HydrophobicContact CZ-CB 4.11Å; F56-Q216 VanDerWaalsContact CZ-CD 3.43Å; F56-Q216 HydrophobicContact CZ-CG 3.68Å
57	E	85.9	Confident	83.8	Confident	11 Å²	11	61.2 Å²	61.2	5%	0.051	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-43.8	177.5	-59.1	-85.1	-175.4	0	0	109.3	R53 Y54 Q59 R60 Y61 L71 L75 K78	R53-E57 HydrophobicContact CG-CG 4.29Å; R53-E57 IonicContact NE-OE1 3.45Å; R53-E57 IonicContact NH2-OE1 2.8Å; R53-E57 VanDerWaalsContact O-CG 3.23Å; R53-E57 WeakPolarHBondContact O-CG 3.27Å; R53-E57 PolarHBondContact O-N 3.42Å; Y54-E57 PolarHBondContact O-N 3.37Å; E57-Q59 PolarHBondContact O-N 3.3Å; E57-R60 PolarHBondContact O-N 2.72Å; E57-Y61 HydrophobicContact CB-CD2 4.19Å; E57-Y61 HydrophobicContact CB-CE2 4.28Å; E57-Y61 WeakPolarHBondContact O-CB 3.49Å; E57-Y61 WeakPolarHBondContact O-CD2 3.48Å; E57-Y61 PolarHBondContact O-N 2.88Å; E57-Y61 WeakPolarHBondContact OE2-CE2 3.4Å; E57-L71 HydrophobicContact CB-CD1 4.25Å; E57-L75 HydrophobicContact CB-CD2 4.44Å; E57-L75 HydrophobicContact CG-CD2 4.01Å; E57-K78 IonicContact OE1-NZ 3.4Å; E57-K78 IonicContact OE2-NZ 3.07Å; E57-K78 PolarHBondContact OE2-NZ 3.27Å
58	Q	84	Confident	83.2	Confident	34 Å²	34	66.1 Å²	66.1	16%	0.159	32%	0.323	C	S	.	.	H	α-helix	trans	-55.6	-47.3	175.6	-79.5	-164.1	-27.6	0	0	113.4	Y54 E55 Y61 R62 L71	Y54-Q58 HydrophobicContact CD1-CG 4.43Å; Y54-Q58 HydrophobicContact CE1-CG 4.11Å; Y54-Q58 VanDerWaalsContact CE1-NE2 3.3Å; Y54-Q58 HydrophobicContact CE2-CG 4.43Å; Y54-Q58 WeakPolarHBondContact O-CB 3.37Å; Y54-Q58 WeakPolarHBondContact O-CG 3.27Å; Y54-Q58 PolarHBondContact O-N 2.84Å; Y54-Q58 PolarHBondContact OH-NE2 2.63Å; E55-Q58 PolarHBondContact O-N 3.09Å; Q58-Y61 PolarHBondContact O-N 3.08Å; Q58-R62 VanDerWaalsContact O-CB 3.3Å; Q58-R62 WeakPolarHBondContact O-CB 3.39Å; Q58-R62 VanDerWaalsContact O-CG 3.3Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.37Å; Q58-L71 HydrophobicContact CG-CD2 3.96Å
59	Q	81	Confident	82.6	Confident	88 Å²	88	71.1 Å²	71.1	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-52.5	178.2	-74.9	171.4	1.4	0	0	110.2	E55 F56 E57 Y61 R62 Y63	E55-Q59 WeakPolarHBondContact O-CB 3.4Å; E55-Q59 VanDerWaalsContact O-CG 3.26Å; E55-Q59 WeakPolarHBondContact O-CG 3.5Å; E55-Q59 PolarHBondContact O-N 3.4Å; F56-Q59 PolarHBondContact O-N 3.24Å; E57-Q59 PolarHBondContact O-N 3.3Å; Q59-Y61 PolarHBondContact O-N 3.07Å; Q59-R62 PolarHBondContact O-N 3.41Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.35Å; Q59-Y63 PolarHBondContact O-N 2.88Å; Q59-Y63 VanDerWaalsContact O-N 3.14Å
60	R	75.9	Confident	82.2	Confident	127 Å²	127	73.2 Å²	73.2	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-38.3	-179.8	-173.6	175.9	179.5	139.2	3	112.7	F56 E57	F56-R60 WeakPolarHBondContact O-CB 3.45Å; F56-R60 PolarHBondContact O-N 3.47Å; E57-R60 PolarHBondContact O-N 2.72Å
61	Y	76.4	Confident	81.9	Confident	30 Å²	30	71.1 Å²	71.1	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-89.8	-28.1	-176.1	-71.5	-65.2	0	0	0	114.4	E57 Q58 Q59 Y63 A64 G65 L66 L71 L74 K78	E57-Y61 HydrophobicContact CB-CD2 4.19Å; E57-Y61 HydrophobicContact CB-CE2 4.28Å; E57-Y61 WeakPolarHBondContact O-CB 3.49Å; E57-Y61 WeakPolarHBondContact O-CD2 3.48Å; E57-Y61 PolarHBondContact O-N 2.88Å; E57-Y61 WeakPolarHBondContact OE2-CE2 3.4Å; Q58-Y61 PolarHBondContact O-N 3.08Å; Q59-Y61 PolarHBondContact O-N 3.07Å; Y61-Y63 VanDerWaalsContact C-N 3.32Å; Y61-A64 WeakPolarHBondContact O-CA 3.39Å; Y61-A64 WeakPolarHBondContact O-CB 3.44Å; Y61-A64 PolarHBondContact O-N 2.93Å; Y61-G65 PolarHBondContact O-N 2.72Å; Y61-L66 HydrophobicContact CD1-CD1 3.74Å; Y61-L66 HydrophobicContact CE1-CD1 4.34Å; Y61-L66 PolarHBondContact O-N 2.87Å; Y61-L71 HydrophobicContact CD2-CD1 3.26Å; Y61-L71 HydrophobicContact CE2-CD1 3.75Å; Y61-L71 HydrophobicContact CG-CD1 3.95Å; Y61-L74 HydrophobicContact CD1-CD1 4Å; Y61-L74 HydrophobicContact CE1-CD1 3.55Å; Y61-K78 WeakPolarHBondContact OH-CE 3.42Å; Y61-K78 PolarHBondContact OH-NZ 3.18Å
62	R	69.5	Low	81.9	Confident	182 Å²	182	72 Å²	72	69%	0.687	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-38.6	168.5	-79	-177.9	-178.3	174.8	4.3	111.6	Q58 Q59 A64 G65	Q58-R62 VanDerWaalsContact O-CB 3.3Å; Q58-R62 WeakPolarHBondContact O-CB 3.39Å; Q58-R62 VanDerWaalsContact O-CG 3.3Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.37Å; Q59-R62 PolarHBondContact O-N 3.41Å; R62-A64 PolarHBondContact O-N 2.89Å; R62-G65 PolarHBondContact O-N 2.93Å
63	Y	61.3	Low	81.8	Confident	211 Å²	211	77.6 Å²	77.6	83%	0.827	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.9	172	-80.2	-67	0	0	0	113.3	Q59 Y61	Q59-Y63 WeakPolarHBondContact O-CD2 3.35Å; Q59-Y63 PolarHBondContact O-N 2.88Å; Q59-Y63 VanDerWaalsContact O-N 3.14Å; Y61-Y63 VanDerWaalsContact C-N 3.32Å
64	A	69.8	Low	81.7	Confident	66 Å²	66	73.8 Å²	73.8	55%	0.545	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.4	176.5	0	0	0	0	0	113.8	Y61 R62 L66	Y61-A64 WeakPolarHBondContact O-CA 3.39Å; Y61-A64 WeakPolarHBondContact O-CB 3.44Å; Y61-A64 PolarHBondContact O-N 2.93Å; R62-A64 PolarHBondContact O-N 2.89Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 HydrophobicContact CB-CD1 4.45Å; A64-L66 HydrophobicContact CB-CG 4.21Å; A64-L66 PolarHBondContact O-N 3.23Å
65	G	73.2	Confident	81.7	Confident	71 Å²	71	72.7 Å²	72.7	73%	0.732	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	19.6	178.6	0	0	0	0	0	115.2	Y61 R62	Y61-G65 PolarHBondContact O-N 2.72Å; R62-G65 PolarHBondContact O-N 2.93Å
66	L	75.1	Confident	81.8	Confident	70 Å²	70	74.3 Å²	74.3	37%	0.366	38%	0.378	S	S	.	.			trans	-85.2	152.7	-176.4	-64.5	-178	0	0	0	112.9	Y61 A64 D70 L74	Y61-L66 HydrophobicContact CD1-CD1 3.74Å; Y61-L66 HydrophobicContact CE1-CD1 4.34Å; Y61-L66 PolarHBondContact O-N 2.87Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 HydrophobicContact CB-CD1 4.45Å; A64-L66 HydrophobicContact CB-CG 4.21Å; A64-L66 PolarHBondContact O-N 3.23Å; L66-D70 HydrophobicContact CB-CB 4.01Å; L66-D70 HydrophobicContact CD1-CB 4.41Å; L66-D70 HydrophobicContact CD2-CB 4.42Å; L66-L74 HydrophobicContact CD1-CD1 3.62Å
67	S	84.3	Confident	82	Confident	60 Å²	60	79.8 Å²	79.8	42%	0.42	41%	0.406	S	S	.	.			trans	-76.8	167.5	175	74.3	0	0	0	0	112.3	E69 D70 L71	S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.94Å; S67-D70 WeakPolarHBondContact CB-OD2 3.49Å; S67-D70 PolarHBondContact N-OD2 2.84Å; S67-D70 PolarHBondContact O-N 3.43Å; S67-D70 PolarHBondContact OG-N 3.25Å; S67-D70 PolarHBondContact OG-OD2 3.06Å; S67-L71 PolarHBondContact O-N 3.39Å
68	E	85.4	Confident	82.1	Confident	104 Å²	104	84.2 Å²	84.2	49%	0.486	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-31	175.1	-166.9	-179	160.1	0	0	112.4	L71 K72 Y82	E68-L71 WeakPolarHBondContact O-CB 3.36Å; E68-L71 PolarHBondContact O-N 2.67Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.14Å; E68-K72 VanDerWaalsContact O-N 3.1Å; E68-Y82 PolarHBondContact OE1-OH 2.82Å
69	E	87.3	Confident	82.4	Confident	104 Å²	104	86 Å²	86	49%	0.486	45%	0.452	S	S	.	.	H	α-helix	trans	-69.6	-38.4	176.1	-69.5	-54.3	137	0	0	111.9	S67 L71 K72 Q73	S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.94Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.48Å; E69-K72 PolarHBondContact O-N 2.85Å; E69-K72 IonicContact OE1-NZ 3.87Å; E69-K72 PolarHBondContact OE1-NZ 3.26Å; E69-K72 IonicContact OE2-NZ 3.18Å; E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 3.38Å
70	D	87.3	Confident	82.9	Confident	60 Å²	60	82.8 Å²	82.8	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-41.3	173.5	-58.8	-45.4	0	0	0	110.8	L66 S67 K72 Q73 L74	L66-D70 HydrophobicContact CB-CB 4.01Å; L66-D70 HydrophobicContact CD1-CB 4.41Å; L66-D70 HydrophobicContact CD2-CB 4.42Å; S67-D70 WeakPolarHBondContact CB-OD2 3.49Å; S67-D70 PolarHBondContact N-OD2 2.84Å; S67-D70 PolarHBondContact O-N 3.43Å; S67-D70 PolarHBondContact OG-N 3.25Å; S67-D70 PolarHBondContact OG-OD2 3.06Å; D70-K72 VanDerWaalsContact C-N 3.35Å; D70-K72 PolarHBondContact O-N 3.35Å; D70-Q73 PolarHBondContact O-N 3.36Å; D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 WeakPolarHBondContact O-CD1 3.34Å; D70-L74 WeakPolarHBondContact O-CG 3.38Å; D70-L74 PolarHBondContact O-N 2.93Å
71	L	86.7	Confident	83.7	Confident	10 Å²	10	80 Å²	80	5%	0.052	44%	0.439	C	S	.	.	H	α-helix	trans	-59.3	-44.8	175.6	176.7	60.5	0	0	0	111.6	E57 Q58 Y61 S67 E68 E69 L74 L75 Y82	E57-L71 HydrophobicContact CB-CD1 4.25Å; Q58-L71 HydrophobicContact CG-CD2 3.96Å; Y61-L71 HydrophobicContact CD2-CD1 3.26Å; Y61-L71 HydrophobicContact CE2-CD1 3.75Å; Y61-L71 HydrophobicContact CG-CD1 3.95Å; S67-L71 PolarHBondContact O-N 3.39Å; E68-L71 WeakPolarHBondContact O-CB 3.36Å; E68-L71 PolarHBondContact O-N 2.67Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 3.02Å; L71-L75 HydrophobicContact CD1-CD1 3.85Å; L71-L75 HydrophobicContact CD1-CG 4.04Å; L71-L75 HydrophobicContact CG-CD1 3.94Å; L71-L75 WeakPolarHBondContact O-CB 3.34Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.15Å; L71-Y82 HydrophobicContact CD2-CD2 4.42Å; L71-Y82 HydrophobicContact CD2-CE2 3.94Å; L71-Y82 HydrophobicContact CG-CD2 4.39Å; L71-Y82 HydrophobicContact CG-CE2 4.35Å
72	K	90.6	Very high	84.5	Confident	64 Å²	64	79.8 Å²	79.8	28%	0.278	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.4	-71.4	171.1	-171.3	168.7	0	111.5	E68 E69 D70 L75 A76 Y82	E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.14Å; E68-K72 VanDerWaalsContact O-N 3.1Å; E69-K72 PolarHBondContact O-N 2.85Å; E69-K72 IonicContact OE1-NZ 3.87Å; E69-K72 PolarHBondContact OE1-NZ 3.26Å; E69-K72 IonicContact OE2-NZ 3.18Å; D70-K72 VanDerWaalsContact C-N 3.35Å; D70-K72 PolarHBondContact O-N 3.35Å; K72-L75 PolarHBondContact O-N 3.04Å; K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 3.26Å; K72-Y82 HydrophobicContact CD-CD1 4.28Å; K72-Y82 HydrophobicContact CG-CD1 3.83Å; K72-Y82 HydrophobicContact CG-CD2 3.91Å; K72-Y82 HydrophobicContact CG-CE1 4.28Å; K72-Y82 HydrophobicContact CG-CE2 4.36Å; K72-Y82 HydrophobicContact CG-CG 3.62Å
73	Q	88.9	Confident	85.7	Confident	124 Å²	124	75 Å²	75	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-43.8	179	-69.3	-177.6	12.3	0	0	111.9	E69 D70 A76 M77	E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 3.38Å; D70-Q73 PolarHBondContact O-N 3.36Å; Q73-A76 PolarHBondContact O-N 2.84Å; Q73-M77 WeakPolarHBondContact O-CG 3.27Å; Q73-M77 PolarHBondContact O-N 3.09Å
74	L	86.8	Confident	87.2	Confident	48 Å²	48	65.9 Å²	65.9	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-43.4	178.5	-74.6	168.7	0	0	0	112.3	Y61 L66 D70 L71 A76 M77 K78	Y61-L74 HydrophobicContact CD1-CD1 4Å; Y61-L74 HydrophobicContact CE1-CD1 3.55Å; L66-L74 HydrophobicContact CD1-CD1 3.62Å; D70-L74 WeakPolarHBondContact O-CB 3.32Å; D70-L74 WeakPolarHBondContact O-CD1 3.34Å; D70-L74 WeakPolarHBondContact O-CG 3.38Å; D70-L74 PolarHBondContact O-N 2.93Å; L71-L74 PolarHBondContact O-N 3.02Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-M77 HydrophobicContact CD2-CE 3.46Å; L74-M77 VanDerWaalsContact CD2-CE 3.46Å; L74-M77 HydrophobicContact CG-CE 4.23Å; L74-M77 PolarHBondContact O-N 2.68Å; L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 2.84Å
75	L	89.8	Confident	88.3	Confident	1 Å²	1	64 Å²	64	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-42.4	175.6	-73.5	169.4	0	0	0	111.1	E57 L71 K72 M77 K78 G79 S80 Y82 L85	E57-L75 HydrophobicContact CB-CD2 4.44Å; E57-L75 HydrophobicContact CG-CD2 4.01Å; L71-L75 HydrophobicContact CD1-CD1 3.85Å; L71-L75 HydrophobicContact CD1-CG 4.04Å; L71-L75 HydrophobicContact CG-CD1 3.94Å; L71-L75 WeakPolarHBondContact O-CB 3.34Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.15Å; K72-L75 PolarHBondContact O-N 3.04Å; L75-M77 PolarHBondContact O-N 3.45Å; L75-K78 CarbonylContact O-C 3.55Å; L75-K78 WeakPolarHBondContact O-CA 3.13Å; L75-K78 WeakPolarHBondContact O-CB 3.43Å; L75-K78 PolarHBondContact O-N 3.2Å; L75-K78 VanDerWaalsContact O-N 3.1Å; L75-G79 PolarHBondContact O-N 3.09Å; L75-S80 CarbonylContact C-O 3.51Å; L75-S80 WeakPolarHBondContact O-CA 3.32Å; L75-S80 PolarHBondContact O-N 3.16Å; L75-S80 VanDerWaalsContact O-O 3.07Å; L75-Y82 HydrophobicContact CD1-CD2 3.79Å; L75-Y82 HydrophobicContact CD1-CG 4.5Å; L75-L85 HydrophobicContact CD1-CD1 4.07Å; L75-L85 HydrophobicContact CD2-CD1 3.96Å
76	A	91.1	Very high	89.4	Confident	67 Å²	67	63 Å²	63	55%	0.554	36%	0.362	S	S	*	.	H	α-helix	trans	-60.9	-43.3	176.2	0	0	0	0	0	112.1	K72 Q73 L74 K78 G79 S80	K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 3.26Å; Q73-A76 PolarHBondContact O-N 2.84Å; L74-A76 VanDerWaalsContact C-N 3.33Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 2.57Å; A76-G79 WeakPolarHBondContact O-CA 3.48Å; A76-G79 PolarHBondContact O-N 3.23Å; A76-S80 PolarHBondContact N-O 3.18Å
77	M	91.2	Very high	90.4	Very high	144 Å²	144	64.8 Å²	64.8	71%	0.709	37%	0.368	S	S	*	.	H	α-helix	trans	-62.7	-31	174.6	-72.1	-170	-67.6	0	0	113	Q73 L74 L75 G79	Q73-M77 WeakPolarHBondContact O-CG 3.27Å; Q73-M77 PolarHBondContact O-N 3.09Å; L74-M77 HydrophobicContact CD2-CE 3.46Å; L74-M77 VanDerWaalsContact CD2-CE 3.46Å; L74-M77 HydrophobicContact CG-CE 4.23Å; L74-M77 PolarHBondContact O-N 2.68Å; L75-M77 PolarHBondContact O-N 3.45Å; M77-G79 PolarHBondContact O-N 3.26Å
78	K	88.6	Confident	90.8	Very high	103 Å²	103	64 Å²	64	45%	0.448	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.5	171.5	-67.2	177.3	-179.9	-178.8	0	113.5	E57 Y61 L74 L75 A76 S80	E57-K78 IonicContact OE1-NZ 3.4Å; E57-K78 IonicContact OE2-NZ 3.07Å; E57-K78 PolarHBondContact OE2-NZ 3.27Å; Y61-K78 WeakPolarHBondContact OH-CE 3.42Å; Y61-K78 PolarHBondContact OH-NZ 3.18Å; L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 2.84Å; L75-K78 CarbonylContact O-C 3.55Å; L75-K78 WeakPolarHBondContact O-CA 3.13Å; L75-K78 WeakPolarHBondContact O-CB 3.43Å; L75-K78 PolarHBondContact O-N 3.2Å; L75-K78 VanDerWaalsContact O-N 3.1Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 2.57Å; K78-S80 VanDerWaalsContact C-N 3.31Å; K78-S80 PolarHBondContact O-N 3.41Å
79	G	90.9	Very high	91.3	Very high	72 Å²	72	60.5 Å²	60.5	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	22.1	-175.6	0	0	0	0	0	114.3	L75 A76 M77	L75-G79 PolarHBondContact O-N 3.09Å; A76-G79 WeakPolarHBondContact O-CA 3.48Å; A76-G79 PolarHBondContact O-N 3.23Å; M77-G79 PolarHBondContact O-N 3.26Å
80	S	91.3	Very high	91.8	Very high	20 Å²	20	59.7 Å²	59.7	14%	0.14	34%	0.338	C	S	.	.			trans	-108.9	135.3	-179.3	-61.2	0	0	0	0	111.3	R53 L75 A76 K78	R53-S80 PolarHBondContact NH2-OG 3.5Å; L75-S80 CarbonylContact C-O 3.51Å; L75-S80 WeakPolarHBondContact O-CA 3.32Å; L75-S80 PolarHBondContact O-N 3.16Å; L75-S80 VanDerWaalsContact O-O 3.07Å; A76-S80 PolarHBondContact N-O 3.18Å; K78-S80 VanDerWaalsContact C-N 3.31Å; K78-S80 PolarHBondContact O-N 3.41Å
81	S	93	Very high	92.2	Very high	68 Å²	68	59.2 Å²	59.2	48%	0.476	34%	0.335	S	S	.	.			trans	-85.3	118.4	178	174.4	0	0	0	0	111.3	S83 G84 L85	S81-S83 PolarHBondContact OG-OG 2.8Å; S81-S83 VanDerWaalsContact OG-OG 3.11Å; S81-G84 PolarHBondContact O-N 3.01Å; S81-G84 PolarHBondContact OG-N 3.19Å; S81-G84 VanDerWaalsContact OG-N 3.14Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 2.8Å
82	Y	92.3	Very high	92.7	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.102	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-48.7	174.3	177.2	-97.3	0	0	0	112	Y54 E68 L71 K72 L75 G84 L85 L86	Y54-Y82 HydrophobicContact CD2-CE2 4.36Å; Y54-Y82 HydrophobicContact CE2-CD2 4.29Å; Y54-Y82 AromaticContact CE2-CE2 3.52Å; Y54-Y82 HydrophobicContact CE2-CE2 3.52Å; Y54-Y82 AromaticContact CE2-CZ 3.72Å; Y54-Y82 PolarHBondContact OH-OH 3.19Å; E68-Y82 PolarHBondContact OE1-OH 2.82Å; L71-Y82 HydrophobicContact CD2-CD2 4.42Å; L71-Y82 HydrophobicContact CD2-CE2 3.94Å; L71-Y82 HydrophobicContact CG-CD2 4.39Å; L71-Y82 HydrophobicContact CG-CE2 4.35Å; K72-Y82 HydrophobicContact CD-CD1 4.28Å; K72-Y82 HydrophobicContact CG-CD1 3.83Å; K72-Y82 HydrophobicContact CG-CD2 3.91Å; K72-Y82 HydrophobicContact CG-CE1 4.28Å; K72-Y82 HydrophobicContact CG-CE2 4.36Å; K72-Y82 HydrophobicContact CG-CG 3.62Å; L75-Y82 HydrophobicContact CD1-CD2 3.79Å; L75-Y82 HydrophobicContact CD1-CG 4.5Å; Y82-G84 VanDerWaalsContact C-N 3.31Å; Y82-G84 PolarHBondContact O-N 3.39Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-L85 VanDerWaalsContact O-N 3.17Å; Y82-L86 HydrophobicContact CE1-CD2 4.16Å; Y82-L86 PolarHBondContact O-N 2.88Å
83	S	94.2	Very high	93	Very high	83 Å²	83	57.9 Å²	57.9	58%	0.58	33%	0.333	S	S	*	.	H	α-helix	trans	-62.6	-39.4	-179.9	52.9	0	0	0	0	111.7	S81 L86 E87	S81-S83 PolarHBondContact OG-OG 2.8Å; S81-S83 VanDerWaalsContact OG-OG 3.11Å; S83-L86 PolarHBondContact O-N 3.43Å; S83-E87 VanDerWaalsContact O-CB 3.31Å; S83-E87 WeakPolarHBondContact O-CB 3.48Å; S83-E87 PolarHBondContact O-N 3Å
84	G	94.2	Very high	93.4	Very high	19 Å²	19	55.1 Å²	55.1	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-38.2	174.8	0	0	0	0	0	112.8	S81 Y82 R88	S81-G84 PolarHBondContact O-N 3.01Å; S81-G84 PolarHBondContact OG-N 3.19Å; S81-G84 VanDerWaalsContact OG-N 3.14Å; Y82-G84 VanDerWaalsContact C-N 3.31Å; Y82-G84 PolarHBondContact O-N 3.39Å; G84-R88 WeakPolarHBondContact O-CG 3.47Å; G84-R88 PolarHBondContact O-N 2.59Å
85	L	93.1	Very high	94	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.141	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-42.3	174.4	-69.5	179.2	0	0	0	112	R53 Y54 L75 S81 Y82 R88 H89	R53-L85 HydrophobicContact CB-CD2 4.04Å; R53-L85 HydrophobicContact CG-CD1 4.4Å; R53-L85 HydrophobicContact CG-CD2 3.9Å; Y54-L85 HydrophobicContact CD2-CB 4.24Å; L75-L85 HydrophobicContact CD1-CD1 4.07Å; L75-L85 HydrophobicContact CD2-CD1 3.96Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 2.8Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-L85 VanDerWaalsContact O-N 3.17Å; L85-R88 PolarHBondContact O-N 3.03Å; L85-H89 WeakPolarHBondContact O-CB 3.4Å; L85-H89 PolarHBondContact O-N 3.41Å
86	L	94.6	Very high	94.4	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-44.7	178	176.8	58.6	0	0	0	111.9	Y54 Y82 S83 R88 H89 N90	Y54-L86 HydrophobicContact CD2-CB 4.17Å; Y54-L86 HydrophobicContact CE1-CD1 4.01Å; Y54-L86 HydrophobicContact CE2-CB 3.94Å; Y54-L86 HydrophobicContact CE2-CD1 3.97Å; Y54-L86 HydrophobicContact CE2-CG 4.47Å; Y82-L86 HydrophobicContact CE1-CD2 4.16Å; Y82-L86 PolarHBondContact O-N 2.88Å; S83-L86 PolarHBondContact O-N 3.43Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.95Å; L86-H89 WeakPolarHBondContact O-CB 3.36Å; L86-H89 PolarHBondContact O-N 3.46Å; L86-N90 PolarHBondContact O-N 2.92Å; L86-N90 PolarHBondContact O-ND2 2.78Å; L86-N90 PolarHBondContact O-OD1 2.84Å
87	E	96.1	Very high	94.7	Very high	106 Å²	106	55.9 Å²	55.9	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-55	-47.9	175.1	178.7	-173.3	-151.2	0	0	111.1	S83 H89 N90 I91	S83-E87 VanDerWaalsContact O-CB 3.31Å; S83-E87 WeakPolarHBondContact O-CB 3.48Å; S83-E87 PolarHBondContact O-N 3Å; E87-H89 VanDerWaalsContact C-N 3.34Å; E87-H89 PolarHBondContact O-N 3.15Å; E87-N90 WeakPolarHBondContact O-CB 3.4Å; E87-N90 PolarHBondContact O-N 3.18Å; E87-I91 HydrophobicContact CG-CD1 4.17Å; E87-I91 WeakPolarHBondContact O-CG1 3.37Å; E87-I91 PolarHBondContact O-N 3.25Å
88	R	94.2	Very high	95.1	Very high	44 Å²	44	51.5 Å²	51.5	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-33.3	179.7	-62.3	-68.5	164.3	176.9	-9.3	112.7	G84 L85 L86 H92 D158 E160	G84-R88 WeakPolarHBondContact O-CG 3.47Å; G84-R88 PolarHBondContact O-N 2.59Å; L85-R88 PolarHBondContact O-N 3.03Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.95Å; R88-H92 WeakPolarHBondContact O-CB 3.36Å; R88-H92 PolarHBondContact O-N 3.42Å; R88-D158 WeakPolarHBondContact CD-OD2 3.36Å; R88-D158 IonicContact NH1-OD1 3.67Å; R88-D158 PolarHBondContact NH1-OD1 3.38Å; R88-D158 VanDerWaalsContact NH1-OD1 3.17Å; R88-E160 IonicContact CZ-OE2 3.78Å; R88-E160 IonicContact NH1-OE2 3.61Å; R88-E160 PolarHBondContact NH1-OE2 2.98Å; R88-E160 IonicContact NH2-OE2 3.02Å; R88-E160 PolarHBondContact NH2-OE2 3.38Å
89	H	95.6	Very high	95.6	Very high	30 Å²	30	46.6 Å²	46.6	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-47	170	174.9	72.5	0	0	0	110.9	T52 Y54 E55 L85 L86 E87 I91 H92 T93	T52-H89 PolarHBondContact OG1-ND1 2.87Å; Y54-H89 HydrophobicContact CD1-CB 3.94Å; Y54-H89 AromaticContact CD1-CD2 3.86Å; Y54-H89 AromaticContact CD1-CG 3.67Å; Y54-H89 HydrophobicContact CG-CB 4.03Å; E55-H89 VanDerWaalsContact CD-CE1 3.45Å; E55-H89 IonicContact OE1-CE1 3.98Å; E55-H89 IonicContact OE2-CE1 3.93Å; E55-H89 IonicContact OE2-ND1 2.94Å; L85-H89 WeakPolarHBondContact O-CB 3.4Å; L85-H89 PolarHBondContact O-N 3.41Å; L86-H89 WeakPolarHBondContact O-CB 3.36Å; L86-H89 PolarHBondContact O-N 3.46Å; E87-H89 VanDerWaalsContact C-N 3.34Å; E87-H89 PolarHBondContact O-N 3.15Å; H89-I91 PolarHBondContact O-N 2.9Å; H89-H92 WeakPolarHBondContact O-CB 3.43Å; H89-H92 PolarHBondContact O-N 3.22Å; H89-T93 PolarHBondContact CE1-OG1 3.17Å; H89-T93 WeakPolarHBondContact O-CB 3.34Å; H89-T93 PolarHBondContact O-N 3.09Å; H89-T93 PolarHBondContact O-OG1 3.4Å
90	N	97.3	Very high	95.9	Very high	88 Å²	88	43.9 Å²	43.9	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-43.1	179.1	-64.6	-17.4	0	0	0	112.3	L86 E87 H92 T93 S94	L86-N90 PolarHBondContact O-N 2.92Å; L86-N90 PolarHBondContact O-ND2 2.78Å; L86-N90 PolarHBondContact O-OD1 2.84Å; E87-N90 WeakPolarHBondContact O-CB 3.4Å; E87-N90 PolarHBondContact O-N 3.18Å; N90-H92 PolarHBondContact O-N 3.03Å; N90-T93 PolarHBondContact O-N 2.88Å; N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.36Å; N90-S94 PolarHBondContact O-N 3.44Å
91	I	96.6	Very high	96.3	Very high	49 Å²	49	48.2 Å²	48.2	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-48.8	174.5	-69.2	168	0	0	0	110.4	E87 H89 N95	E87-I91 HydrophobicContact CG-CD1 4.17Å; E87-I91 WeakPolarHBondContact O-CG1 3.37Å; E87-I91 PolarHBondContact O-N 3.25Å; H89-I91 PolarHBondContact O-N 2.9Å; I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 3.49Å; I91-N95 PolarHBondContact O-ND2 3.1Å
92	H	96.5	Very high	96.5	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-52.4	178	167.8	62.8	0	0	0	111.9	T49 K50 T52 R88 H89 N90 S94 N95 V96 T157	T49-H92 PolarHBondContact OG1-CE1 3.45Å; T49-H92 VanDerWaalsContact OG1-CE1 3.27Å; T49-H92 PolarHBondContact OG1-NE2 3.02Å; K50-H92 WeakPolarHBondContact CE-ND1 3.29Å; K50-H92 WeakPolarHBondContact CG-CE1 3.26Å; K50-H92 PolarHBondContact O-NE2 2.89Å; T52-H92 HydrophobicContact CG2-CB 4.1Å; T52-H92 WeakPolarHBondContact CG2-CD2 3.29Å; R88-H92 WeakPolarHBondContact O-CB 3.36Å; R88-H92 PolarHBondContact O-N 3.42Å; H89-H92 WeakPolarHBondContact O-CB 3.43Å; H89-H92 PolarHBondContact O-N 3.22Å; N90-H92 PolarHBondContact O-N 3.03Å; H92-S94 PolarHBondContact O-N 3.49Å; H92-N95 PolarHBondContact O-N 2.91Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.43Å; H92-V96 WeakPolarHBondContact O-CG2 3.37Å; H92-V96 PolarHBondContact O-N 3.32Å; H92-T157 PolarHBondContact CE1-OG1 3.03Å; H92-T157 VanDerWaalsContact ND1-CB 3.3Å; H92-T157 WeakPolarHBondContact ND1-CB 3.46Å; H92-T157 PolarHBondContact ND1-OG1 3.08Å
93	T	97.4	Very high	96.8	Very high	43 Å²	43	44.6 Å²	44.6	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-44.4	-178.4	-59.1	0	0	0	0	111.1	H89 N90 N95 V96 E97	H89-T93 PolarHBondContact CE1-OG1 3.17Å; H89-T93 WeakPolarHBondContact O-CB 3.34Å; H89-T93 PolarHBondContact O-N 3.09Å; H89-T93 PolarHBondContact O-OG1 3.4Å; N90-T93 PolarHBondContact O-N 2.88Å; T93-N95 VanDerWaalsContact C-N 3.35Å; T93-N95 PolarHBondContact O-N 3.49Å; T93-V96 WeakPolarHBondContact O-CB 3.25Å; T93-V96 PolarHBondContact O-N 2.91Å; T93-E97 WeakPolarHBondContact O-CG 3.36Å; T93-E97 PolarHBondContact O-N 2.93Å
94	S	97.9	Very high	97	Very high	67 Å²	67	45.6 Å²	45.6	47%	0.469	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-41.2	176.7	-178.1	0	0	0	0	112.3	N90 H92 E97 H98	N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.36Å; N90-S94 PolarHBondContact O-N 3.44Å; H92-S94 PolarHBondContact O-N 3.49Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-H98 WeakPolarHBondContact O-CB 3.29Å; S94-H98 PolarHBondContact O-N 3.06Å
95	N	98.1	Very high	97.2	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-34.5	175.9	-74.2	-33.3	0	0	0	112.5	I91 H92 T93 H98 V99 T157 T173	I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 3.49Å; I91-N95 PolarHBondContact O-ND2 3.1Å; H92-N95 PolarHBondContact O-N 2.91Å; T93-N95 VanDerWaalsContact C-N 3.35Å; T93-N95 PolarHBondContact O-N 3.49Å; N95-H98 PolarHBondContact O-N 2.87Å; N95-V99 WeakPolarHBondContact O-CG2 3.23Å; N95-V99 PolarHBondContact O-N 3.11Å; N95-V99 VanDerWaalsContact O-N 3.09Å; N95-T157 HydrophobicContact CB-CG2 4.21Å; N95-T157 PolarHBondContact ND2-O 3.04Å; N95-T173 HydrophobicContact CB-CG2 4.35Å
96	V	98.4	Very high	97.3	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-47.5	171.9	173	0	0	0	0	110.4	V47 H92 T93 H98 V99 V100 V112 A132 T157	V47-V96 HydrophobicContact CG1-CG1 4.43Å; H92-V96 WeakPolarHBondContact CE1-CG2 3.43Å; H92-V96 WeakPolarHBondContact O-CG2 3.37Å; H92-V96 PolarHBondContact O-N 3.32Å; T93-V96 WeakPolarHBondContact O-CB 3.25Å; T93-V96 PolarHBondContact O-N 2.91Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.43Å; V96-V99 PolarHBondContact O-N 3.49Å; V96-V100 HydrophobicContact CG1-CG2 4.32Å; V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.22Å; V96-V100 PolarHBondContact O-N 2.83Å; V96-V112 HydrophobicContact CG1-CG1 4.48Å; V96-A132 HydrophobicContact CG2-CB 3.97Å; V96-T157 HydrophobicContact CG2-CG2 3.95Å
97	E	98.4	Very high	97.4	Very high	104 Å²	104	52.3 Å²	52.3	49%	0.486	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-43.1	176.2	-73.6	172.7	177.8	0	0	111.4	T93 S94 V99 V100 Q101	T93-E97 WeakPolarHBondContact O-CG 3.36Å; T93-E97 PolarHBondContact O-N 2.93Å; S94-E97 PolarHBondContact O-N 3.46Å; E97-V99 PolarHBondContact O-N 2.82Å; E97-V100 PolarHBondContact O-N 3.33Å; E97-Q101 WeakPolarHBondContact O-CB 3.35Å; E97-Q101 VanDerWaalsContact O-CG 3.27Å; E97-Q101 WeakPolarHBondContact O-CG 3.27Å; E97-Q101 PolarHBondContact O-N 3.05Å
98	H	98.3	Very high	97.5	Very high	51 Å²	51	47.9 Å²	47.9	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-45.9	175.7	179	60.1	0	0	0	112.4	S94 N95 V96 S102 H174 P177	S94-H98 WeakPolarHBondContact O-CB 3.29Å; S94-H98 PolarHBondContact O-N 3.06Å; N95-H98 PolarHBondContact O-N 2.87Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.43Å; H98-S102 WeakPolarHBondContact O-CB 3.37Å; H98-S102 PolarHBondContact O-N 2.84Å; H98-S102 PolarHBondContact O-OG 2.77Å; H98-H174 PolarHBondContact NE2-O 2.94Å; H98-P177 WeakPolarHBondContact NE2-CD 3.14Å
99	V	98.4	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-47.5	175.6	168.9	0	0	0	0	111.2	V47 N95 V96 E97 S102 L103 V130 V155 F176	V47-V99 HydrophobicContact CG2-CG1 4.49Å; N95-V99 WeakPolarHBondContact O-CG2 3.23Å; N95-V99 PolarHBondContact O-N 3.11Å; N95-V99 VanDerWaalsContact O-N 3.09Å; V96-V99 PolarHBondContact O-N 3.49Å; E97-V99 PolarHBondContact O-N 2.82Å; V99-S102 PolarHBondContact O-N 2.89Å; V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 2.82Å; V99-V130 HydrophobicContact CG1-CG1 4.07Å; V99-V155 HydrophobicContact CG2-CG1 3.93Å; V99-F176 HydrophobicContact CB-CD1 4.37Å; V99-F176 HydrophobicContact CB-CE1 4.46Å; V99-F176 HydrophobicContact CG1-CD1 4.31Å; V99-F176 HydrophobicContact CG1-CE1 3.92Å; V99-F176 HydrophobicContact CG1-CE2 4.26Å; V99-F176 HydrophobicContact CG1-CZ 3.88Å; V99-F176 HydrophobicContact CG2-CB 4.39Å; V99-F176 HydrophobicContact CG2-CD1 4.26Å; V99-F176 HydrophobicContact CG2-CD2 3.96Å; V99-F176 HydrophobicContact CG2-CE2 4.32Å; V99-F176 HydrophobicContact CG2-CG 3.92Å
100	V	98.7	Very high	97.9	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-48.8	-178.7	171.4	0	0	0	0	111.1	V47 V96 E97 S102 L103 Q104 V110 V112	V47-V100 HydrophobicContact CB-CG2 4.46Å; V47-V100 HydrophobicContact CG1-CG2 4.39Å; V47-V100 HydrophobicContact CG2-CG2 4.23Å; V96-V100 HydrophobicContact CG1-CG2 4.32Å; V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.22Å; V96-V100 PolarHBondContact O-N 2.83Å; E97-V100 PolarHBondContact O-N 3.33Å; V100-S102 VanDerWaalsContact C-N 3.29Å; V100-S102 PolarHBondContact O-N 2.79Å; V100-L103 PolarHBondContact O-N 2.8Å; V100-Q104 HydrophobicContact CG1-CG 4.37Å; V100-Q104 WeakPolarHBondContact O-CG 3.42Å; V100-Q104 PolarHBondContact O-N 2.86Å; V100-V110 HydrophobicContact CG1-CB 4.44Å; V100-V110 HydrophobicContact CG1-CG1 4.07Å; V100-V110 HydrophobicContact CG2-CG1 4.15Å; V100-V112 HydrophobicContact CG1-CG2 4.41Å; V100-V112 HydrophobicContact CG2-CG2 3.53Å
101	Q	98.5	Very high	97.9	Very high	111 Å²	111	51.4 Å²	51.4	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-39.3	178.6	-73.3	174.7	3.9	0	0	111.7	E97 Q104 S105	E97-Q101 WeakPolarHBondContact O-CB 3.35Å; E97-Q101 VanDerWaalsContact O-CG 3.27Å; E97-Q101 WeakPolarHBondContact O-CG 3.27Å; E97-Q101 PolarHBondContact O-N 3.05Å; Q101-Q104 PolarHBondContact O-N 3.01Å; Q101-S105 VanDerWaalsContact O-CB 3.27Å; Q101-S105 WeakPolarHBondContact O-CB 3.42Å; Q101-S105 PolarHBondContact O-N 3Å; Q101-S105 PolarHBondContact O-OG 3.14Å
102	S	98.3	Very high	98	Very high	13 Å²	13	52.5 Å²	52.5	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-43.3	177.5	-59.2	0	0	0	0	112	H98 V99 V100 A106 P177	H98-S102 WeakPolarHBondContact O-CB 3.37Å; H98-S102 PolarHBondContact O-N 2.84Å; H98-S102 PolarHBondContact O-OG 2.77Å; V99-S102 PolarHBondContact O-N 2.89Å; V100-S102 VanDerWaalsContact C-N 3.29Å; V100-S102 PolarHBondContact O-N 2.79Å; S102-A106 PolarHBondContact O-N 3.12Å; S102-P177 WeakPolarHBondContact OG-CD 3.41Å; S102-P177 WeakPolarHBondContact OG-CG 3.43Å
103	L	98.3	Very high	98.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-48.4	175.4	-72.2	166.9	0	0	0	111.4	V45 V47 V99 V100 S105 A106 G107 V108 V110 V130 F176 L180	V45-L103 HydrophobicContact CB-CD1 4.35Å; V45-L103 HydrophobicContact CG1-CD1 3.89Å; V45-L103 HydrophobicContact CG2-CD2 4.43Å; V47-L103 HydrophobicContact CG2-CD1 3.8Å; V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 2.82Å; V100-L103 PolarHBondContact O-N 2.8Å; L103-S105 VanDerWaalsContact C-N 3.32Å; L103-S105 PolarHBondContact O-N 3.49Å; L103-A106 CarbonylContact O-C 3.47Å; L103-A106 WeakPolarHBondContact O-CA 3.39Å; L103-A106 WeakPolarHBondContact O-CB 3.34Å; L103-A106 PolarHBondContact O-N 3.27Å; L103-A106 VanDerWaalsContact O-N 3.07Å; L103-G107 PolarHBondContact O-N 3.31Å; L103-V108 HydrophobicContact CB-CB 4.2Å; L103-V108 HydrophobicContact CD2-CG2 4.45Å; L103-V108 VanDerWaalsContact O-CB 3.29Å; L103-V108 WeakPolarHBondContact O-CB 3.35Å; L103-V108 WeakPolarHBondContact O-CG2 3.5Å; L103-V108 PolarHBondContact O-N 3.27Å; L103-V108 VanDerWaalsContact O-N 3.08Å; L103-V110 HydrophobicContact CB-CG2 3.54Å; L103-V110 HydrophobicContact CD1-CG2 4.06Å; L103-V110 HydrophobicContact CG-CG2 4.44Å; L103-V130 HydrophobicContact CD1-CG2 4.47Å; L103-F176 HydrophobicContact CD2-CE1 4.25Å; L103-F176 HydrophobicContact CD2-CZ 4.5Å; L103-F176 HydrophobicContact CG-CE1 4.03Å; L103-L180 HydrophobicContact CD2-CD1 4.02Å; L103-L180 HydrophobicContact CD2-CD2 4.13Å
104	Q	98.4	Very high	97.8	Very high	104 Å²	104	56.9 Å²	56.9	49%	0.486	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-40	179.2	-72.3	173.2	-23.7	0	0	112.1	V100 Q101 A106 G107 V110	V100-Q104 HydrophobicContact CG1-CG 4.37Å; V100-Q104 WeakPolarHBondContact O-CG 3.42Å; V100-Q104 PolarHBondContact O-N 2.86Å; Q101-Q104 PolarHBondContact O-N 3.01Å; Q104-A106 PolarHBondContact O-N 2.79Å; Q104-G107 WeakPolarHBondContact O-CA 3.39Å; Q104-G107 PolarHBondContact O-N 3.42Å; Q104-V110 HydrophobicContact CG-CB 4.3Å; Q104-V110 HydrophobicContact CG-CG2 3.93Å
105	S	97.4	Very high	97.4	Very high	109 Å²	109	54.9 Å²	54.9	76%	0.762	30%	0.297	S	S	*	.	H	α-helix	trans	-64.9	-25.8	176.3	-59	0	0	0	0	112.6	Q101 L103 G107	Q101-S105 VanDerWaalsContact O-CB 3.27Å; Q101-S105 WeakPolarHBondContact O-CB 3.42Å; Q101-S105 PolarHBondContact O-N 3Å; Q101-S105 PolarHBondContact O-OG 3.14Å; L103-S105 VanDerWaalsContact C-N 3.32Å; L103-S105 PolarHBondContact O-N 3.49Å; S105-G107 PolarHBondContact O-N 2.78Å
106	A	96.1	Very high	96.8	Very high	60 Å²	60	57.1 Å²	57.1	50%	0.496	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	5.8	172	0	0	0	0	0	113.4	S102 L103 Q104 V108 L180	S102-A106 PolarHBondContact O-N 3.12Å; L103-A106 CarbonylContact O-C 3.47Å; L103-A106 WeakPolarHBondContact O-CA 3.39Å; L103-A106 WeakPolarHBondContact O-CB 3.34Å; L103-A106 PolarHBondContact O-N 3.27Å; L103-A106 VanDerWaalsContact O-N 3.07Å; Q104-A106 PolarHBondContact O-N 2.79Å; A106-V108 HydrophobicContact CB-CG2 4.42Å; A106-L180 HydrophobicContact CB-CD2 3.68Å
107	G	97.1	Very high	96.4	Very high	68 Å²	68	61.2 Å²	61.2	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	12.7	179.1	0	0	0	0	0	114.8	L103 Q104 S105	L103-G107 PolarHBondContact O-N 3.31Å; Q104-G107 WeakPolarHBondContact O-CA 3.39Å; Q104-G107 PolarHBondContact O-N 3.42Å; S105-G107 PolarHBondContact O-N 2.78Å
108	V	98.3	Very high	96.2	Very high	14 Å²	14	56.3 Å²	56.3	9%	0.085	32%	0.32	C	S	.	.			trans	-84.2	132.6	-179.9	-175.7	0	0	0	0	110.4	P42 V45 L103 A106 V110	P42-V108 WeakPolarHBondContact O-CG2 3.31Å; V45-V108 HydrophobicContact CB-CG1 3.88Å; V45-V108 HydrophobicContact CG2-CG1 3.58Å; L103-V108 HydrophobicContact CB-CB 4.2Å; L103-V108 HydrophobicContact CD2-CG2 4.45Å; L103-V108 VanDerWaalsContact O-CB 3.29Å; L103-V108 WeakPolarHBondContact O-CB 3.35Å; L103-V108 WeakPolarHBondContact O-CG2 3.5Å; L103-V108 PolarHBondContact O-N 3.27Å; L103-V108 VanDerWaalsContact O-N 3.08Å; A106-V108 HydrophobicContact CB-CG2 4.42Å; V108-V110 HydrophobicContact CG1-CG2 4.34Å
109	E	98.6	Very high	96	Very high	103 Å²	103	57.1 Å²	57.1	48%	0.481	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123	168.8	-173.9	-169.7	159.8	0	0	109.5	D43 R44 V45 W125	D43-E109 PolarHBondContact O-N 3.4Å; R44-E109 CarbonylContact C-O 3.59Å; R44-E109 WeakPolarHBondContact CA-O 3.49Å; R44-E109 HydrophobicContact CG-CB 4.03Å; V45-E109 PolarHBondContact N-O 2.97Å; E109-W125 HydrophobicContact CG-CZ2 3.97Å; E109-W125 WeakPolarHBondContact OE1-CZ2 3.3Å
110	V	98.7	Very high	95.7	Very high	24 Å²	24	62.4 Å²	62.4	15%	0.145	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.7	-173.4	-177.8	0	0	0	0	111.6	V45 V47 V100 L103 Q104 V108 V112	V45-V110 WeakPolarHBondContact O-CA 3.25Å; V47-V110 HydrophobicContact CB-CG1 4.38Å; V47-V110 HydrophobicContact CG2-CG1 3.64Å; V100-V110 HydrophobicContact CG1-CB 4.44Å; V100-V110 HydrophobicContact CG1-CG1 4.07Å; V100-V110 HydrophobicContact CG2-CG1 4.15Å; L103-V110 HydrophobicContact CB-CG2 3.54Å; L103-V110 HydrophobicContact CD1-CG2 4.06Å; L103-V110 HydrophobicContact CG-CG2 4.44Å; Q104-V110 HydrophobicContact CG-CB 4.3Å; Q104-V110 HydrophobicContact CG-CG2 3.93Å; V108-V110 HydrophobicContact CG1-CG2 4.34Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å
111	R	98.5	Very high	95.6	Very high	109 Å²	109	67.7 Å²	67.7	41%	0.411	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.9	164	-72.1	-179.7	-170.4	-175.3	-1.2	109.8	V45 A46 V47 V113 W125	V45-R111 PolarHBondContact O-N 3.05Å; A46-R111 CarbonylContact C-O 3.54Å; A46-R111 WeakPolarHBondContact CA-O 3.43Å; V47-R111 PolarHBondContact N-O 3.25Å; R111-V113 HydrophobicContact CB-CG2 4.11Å; R111-W125 HydrophobicContact CB-CE3 4.39Å; R111-W125 HydrophobicContact CB-CH2 3.83Å; R111-W125 HydrophobicContact CB-CZ3 3.67Å; R111-W125 HydrophobicContact CG-CE3 4.2Å; R111-W125 HydrophobicContact CG-CH2 3.43Å; R111-W125 VanDerWaalsContact CG-CH2 3.43Å; R111-W125 HydrophobicContact CG-CZ2 3.77Å; R111-W125 HydrophobicContact CG-CZ3 3.65Å; R111-W125 VanDerWaalsContact CZ-CD1 3.45Å; R111-W125 VanDerWaalsContact CZ-CE2 3.4Å; R111-W125 VanDerWaalsContact CZ-NE1 3.28Å; R111-W125 VanDerWaalsContact NH2-NE1 3.12Å
112	V	98.4	Very high	95.5	Very high	72 Å²	72	63.1 Å²	63.1	44%	0.436	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.1	170	-174.4	0	0	0	0	107.9	V47 T49 V96 V100 V110	V47-V112 CarbonylContact O-C 3.59Å; V47-V112 WeakPolarHBondContact O-CA 3.4Å; T49-V112 HydrophobicContact CG2-CG1 4.26Å; V96-V112 HydrophobicContact CG1-CG1 4.48Å; V100-V112 HydrophobicContact CG1-CG2 4.41Å; V100-V112 HydrophobicContact CG2-CG2 3.53Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å
113	V	97.1	Very high	95.4	Very high	8 Å²	8	63.1 Å²	63.1	5%	0.048	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.3	-169.8	-176.2	0	0	0	0	109.5	V47 V48 T49 R111 E117 V122	V47-V113 PolarHBondContact O-N 3.27Å; V48-V113 WeakPolarHBondContact CA-O 3.46Å; T49-V113 PolarHBondContact N-O 3.21Å; R111-V113 HydrophobicContact CB-CG2 4.11Å; V113-E117 VanDerWaalsContact CG1-C 3.49Å; V113-E117 HydrophobicContact CG1-CB 3.72Å; V113-V122 HydrophobicContact CB-CG1 4.47Å; V113-V122 HydrophobicContact CG1-CG1 4.31Å; V113-V122 HydrophobicContact CG1-CG2 4.15Å; V113-V122 HydrophobicContact CG2-CG1 3.86Å; V113-V122 HydrophobicContact CG2-CG2 4.28Å
114	R	92.3	Very high	95.4	Very high	130 Å²	130	70.1 Å²	70.1	49%	0.491	38%	0.379	S	S	.	.			trans	-85.4	168.4	173.5	-66	-176.9	177.1	125.5	-2.8	111.2	T49 G116 E117 Y118	T49-R114 HydrophobicContact CG2-CG 4.05Å; R114-G116 PolarHBondContact O-N 3.46Å; R114-E117 PolarHBondContact N-OE2 2.97Å; R114-E117 CarbonylContact O-C 3.56Å; R114-E117 PolarHBondContact O-N 3.28Å; R114-Y118 PolarHBondContact O-N 3.18Å
115	R	88.8	Confident	95.4	Very high	24 Å²	24	66.6 Å²	66.6	9%	0.091	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-54.2	-49.4	-177	-178.7	157.4	-161.1	-85.7	-6.4	114.4	E117 Y118 L140 D211 H213 E214	R115-E117 PolarHBondContact O-N 3.24Å; R115-Y118 PolarHBondContact O-N 2.86Å; R115-L140 HydrophobicContact CB-CD2 3.99Å; R115-L140 HydrophobicContact CG-CD1 4.27Å; R115-L140 HydrophobicContact CG-CD2 3.63Å; R115-D211 VanDerWaalsContact CZ-CG 3.49Å; R115-D211 IonicContact CZ-OD1 2.71Å; R115-D211 IonicContact CZ-OD2 3.93Å; R115-D211 IonicContact NH1-OD1 3.81Å; R115-D211 PolarHBondContact NH1-OD1 2.92Å; R115-D211 IonicContact NH1-OD2 3.76Å; R115-D211 PolarHBondContact NH1-OD2 3.3Å; R115-D211 IonicContact NH2-OD1 3.76Å; R115-D211 PolarHBondContact NH2-OD1 3.16Å; R115-D211 IonicContact NH2-OD2 3.68Å; R115-D211 PolarHBondContact NH2-OD2 3.1Å; R115-H213 VanDerWaalsContact CZ-CB 3.4Å; R115-H213 VanDerWaalsContact NH1-CB 3.32Å; R115-E214 WeakPolarHBondContact CB-OE1 3.48Å; R115-E214 WeakPolarHBondContact CG-OE1 3.36Å
116	G	84.9	Confident	95.4	Very high	63 Å²	63	61.4 Å²	61.4	65%	0.649	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.2	176.3	0	0	0	0	0	115.2	R114 E214	R114-G116 PolarHBondContact O-N 3.46Å; G116-E214 PolarHBondContact N-OE1 3.41Å; G116-E214 VanDerWaalsContact N-OE1 3.16Å
117	E	91.6	Very high	95.5	Very high	99 Å²	99	61 Å²	61	46%	0.463	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-97.1	-12	179.5	-62.4	158.8	-176	0	0	112.2	V113 R114 R115 D119	V113-E117 VanDerWaalsContact CG1-C 3.49Å; V113-E117 HydrophobicContact CG1-CB 3.72Å; R114-E117 PolarHBondContact N-OE2 2.97Å; R114-E117 CarbonylContact O-C 3.56Å; R114-E117 PolarHBondContact O-N 3.28Å; R115-E117 PolarHBondContact O-N 3.24Å; E117-D119 PolarHBondContact O-N 3.42Å
118	Y	94.1	Very high	95.5	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	28%	0.282	C	S	.	.			trans	-80.2	100.6	-177	178.3	-118.3	0	0	0	110.5	V48 R114 R115 V122 V123 I129 L140 V141 K144	V48-Y118 HydrophobicContact CG1-CD2 4.43Å; V48-Y118 HydrophobicContact CG1-CG 4.17Å; V48-Y118 HydrophobicContact CG2-CD2 3.46Å; V48-Y118 VanDerWaalsContact CG2-CD2 3.46Å; V48-Y118 HydrophobicContact CG2-CE2 3.64Å; V48-Y118 HydrophobicContact CG2-CG 4.04Å; R114-Y118 PolarHBondContact O-N 3.18Å; R115-Y118 PolarHBondContact O-N 2.86Å; Y118-V122 HydrophobicContact CD2-CB 4.37Å; Y118-V122 HydrophobicContact CD2-CG1 3.97Å; Y118-V122 HydrophobicContact CE2-CG1 4.29Å; Y118-V123 HydrophobicContact CE2-CG2 3.61Å; Y118-V123 WeakPolarHBondContact OH-CG2 3.39Å; Y118-I129 HydrophobicContact CE2-CD1 4.09Å; Y118-I129 WeakPolarHBondContact OH-CD1 3.49Å; Y118-L140 HydrophobicContact CD1-CD1 4.35Å; Y118-L140 HydrophobicContact CD1-CG 4.1Å; Y118-V141 HydrophobicContact CE1-CG2 4.46Å; Y118-V141 PolarHBondContact OH-O 3.46Å; Y118-K144 HydrophobicContact CD1-CD 3.79Å; Y118-K144 HydrophobicContact CD1-CG 4.43Å; Y118-K144 HydrophobicContact CE1-CB 3.83Å; Y118-K144 HydrophobicContact CE1-CD 3.76Å; Y118-K144 HydrophobicContact CE1-CG 3.93Å; Y118-K144 PolarHBondContact O-NZ 3.01Å
119	D	92.8	Very high	95.5	Very high	67 Å²	67	57.2 Å²	57.2	36%	0.358	28%	0.278	S	S	.	.			trans	-128.2	-172.8	-177.6	68.2	15.4	0	0	0	113	E117 E121 V122 V123	E117-D119 PolarHBondContact O-N 3.42Å; D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.49Å; D119-E121 WeakPolarHBondContact OD1-CA 3.48Å; D119-E121 WeakPolarHBondContact OD1-CB 3.35Å; D119-E121 PolarHBondContact OD1-N 3.02Å; D119-V122 PolarHBondContact O-N 3Å; D119-V122 PolarHBondContact OD1-N 3.39Å; D119-V123 WeakPolarHBondContact O-CG2 3.49Å; D119-V123 PolarHBondContact O-N 2.8Å
120	E	92.6	Very high	95.5	Very high	112 Å²	112	52.6 Å²	52.6	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-28.2	179	-58.8	-176.9	-178.8	0	0	113.4	V123 R124	E120-V123 PolarHBondContact O-N 3.25Å; E120-R124 WeakPolarHBondContact O-CB 3.01Å; E120-R124 WeakPolarHBondContact O-CG 3.25Å; E120-R124 PolarHBondContact O-N 3.22Å; E120-R124 IonicContact OE2-NH1 2.63Å; E120-R124 PolarHBondContact OE2-NH1 3.17Å; E120-R124 VanDerWaalsContact OE2-NH1 3.08Å
121	E	95.9	Very high	95.5	Very high	127 Å²	127	51.5 Å²	51.5	59%	0.593	25%	0.25	S	S	*	.	H	α-helix	trans	-68.5	-42.6	178.8	-59.4	-160.6	145	0	0	110.5	D119 V123 R124 W125	D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.49Å; D119-E121 WeakPolarHBondContact OD1-CA 3.48Å; D119-E121 WeakPolarHBondContact OD1-CB 3.35Å; D119-E121 PolarHBondContact OD1-N 3.02Å; E121-V123 PolarHBondContact O-N 3.47Å; E121-R124 PolarHBondContact O-N 3.17Å; E121-W125 WeakPolarHBondContact O-CB 3.31Å; E121-W125 PolarHBondContact O-N 2.89Å
122	V	97.6	Very high	95.5	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-46.9	173.1	174.5	0	0	0	0	111	A46 V113 Y118 D119 R124 W125 A126	A46-V122 HydrophobicContact CB-CG1 3.64Å; V113-V122 HydrophobicContact CB-CG1 4.47Å; V113-V122 HydrophobicContact CG1-CG1 4.31Å; V113-V122 HydrophobicContact CG1-CG2 4.15Å; V113-V122 HydrophobicContact CG2-CG1 3.86Å; V113-V122 HydrophobicContact CG2-CG2 4.28Å; Y118-V122 HydrophobicContact CD2-CB 4.37Å; Y118-V122 HydrophobicContact CD2-CG1 3.97Å; Y118-V122 HydrophobicContact CE2-CG1 4.29Å; D119-V122 PolarHBondContact O-N 3Å; D119-V122 PolarHBondContact OD1-N 3.39Å; V122-R124 VanDerWaalsContact C-N 3.35Å; V122-R124 PolarHBondContact O-N 2.94Å; V122-W125 PolarHBondContact O-N 3.47Å; V122-A126 PolarHBondContact O-N 3.46Å; V122-A126 VanDerWaalsContact O-N 3.11Å
123	V	96.9	Very high	95.3	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-40	179.2	174.6	0	0	0	0	111.9	Y118 D119 E120 E121 I129 K144 V145 K150	Y118-V123 HydrophobicContact CE2-CG2 3.61Å; Y118-V123 WeakPolarHBondContact OH-CG2 3.39Å; D119-V123 WeakPolarHBondContact O-CG2 3.49Å; D119-V123 PolarHBondContact O-N 2.8Å; E120-V123 PolarHBondContact O-N 3.25Å; E121-V123 PolarHBondContact O-N 3.47Å; V123-I129 HydrophobicContact CB-CD1 4.41Å; V123-I129 HydrophobicContact CG1-CD1 4.3Å; V123-I129 HydrophobicContact CG2-CD1 3.92Å; V123-K144 HydrophobicContact CG2-CB 4.36Å; V123-V145 HydrophobicContact CG1-CG2 4.41Å; V123-K150 WeakPolarHBondContact O-CE 3.37Å; V123-K150 PolarHBondContact O-NZ 2.93Å
124	R	96.9	Very high	95.2	Very high	150 Å²	150	43.2 Å²	43.2	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-67.6	-41.2	176.9	-77.9	-170.4	-64.8	-96.3	6.3	111.9	E120 E121 V122	E120-R124 WeakPolarHBondContact O-CB 3.01Å; E120-R124 WeakPolarHBondContact O-CG 3.25Å; E120-R124 PolarHBondContact O-N 3.22Å; E120-R124 IonicContact OE2-NH1 2.63Å; E120-R124 PolarHBondContact OE2-NH1 3.17Å; E120-R124 VanDerWaalsContact OE2-NH1 3.08Å; E121-R124 PolarHBondContact O-N 3.17Å; V122-R124 VanDerWaalsContact C-N 3.35Å; V122-R124 PolarHBondContact O-N 2.94Å
125	W	98	Very high	95.3	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.114	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-43.2	-178.6	168.6	84.4	0	0	0	112.9	R44 A46 E109 R111 E121 V122	R44-W125 HydrophobicContact CB-CH2 3.84Å; R44-W125 HydrophobicContact CB-CZ2 3.75Å; R44-W125 HydrophobicContact CB-CZ3 4.31Å; R44-W125 HydrophobicContact CG-CH2 4.35Å; R44-W125 HydrophobicContact CG-CZ2 3.79Å; R44-W125 PolarHBondContact NE-O 3.39Å; R44-W125 PolarHBondContact NH2-O 2.92Å; A46-W125 HydrophobicContact CB-CZ3 4.25Å; E109-W125 HydrophobicContact CG-CZ2 3.97Å; E109-W125 WeakPolarHBondContact OE1-CZ2 3.3Å; R111-W125 HydrophobicContact CB-CE3 4.39Å; R111-W125 HydrophobicContact CB-CH2 3.83Å; R111-W125 HydrophobicContact CB-CZ3 3.67Å; R111-W125 HydrophobicContact CG-CE3 4.2Å; R111-W125 HydrophobicContact CG-CH2 3.43Å; R111-W125 VanDerWaalsContact CG-CH2 3.43Å; R111-W125 HydrophobicContact CG-CZ2 3.77Å; R111-W125 HydrophobicContact CG-CZ3 3.65Å; R111-W125 VanDerWaalsContact CZ-CD1 3.45Å; R111-W125 VanDerWaalsContact CZ-CE2 3.4Å; R111-W125 VanDerWaalsContact CZ-NE1 3.28Å; R111-W125 VanDerWaalsContact NH2-NE1 3.12Å; E121-W125 WeakPolarHBondContact O-CB 3.31Å; E121-W125 PolarHBondContact O-N 2.89Å; V122-W125 PolarHBondContact O-N 3.47Å
126	A	98.2	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.			trans	-79.1	140.4	-174	0	0	0	0	0	112.2	A46 V122 A128 K150	A46-A126 HydrophobicContact CB-CB 3.7Å; V122-A126 PolarHBondContact O-N 3.46Å; V122-A126 VanDerWaalsContact O-N 3.11Å; A126-A128 VanDerWaalsContact C-N 3.3Å; A126-A128 WeakPolarHBondContact CB-O 3.4Å; A126-K150 WeakPolarHBondContact O-CD 3.33Å; A126-K150 PolarHBondContact O-NZ 3.41Å
127	D	97.8	Very high	95.9	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.283	19%	0.19	S	C	.	.	S	Bend	trans	-78.6	-22.7	172.8	-52.2	-46.3	0	0	0	111.3	P42 D43 R44 K150 P151	P42-D127 HydrophobicContact CB-CB 4.08Å; D43-D127 PolarHBondContact N-OD2 3.44Å; R44-D127 IonicContact CZ-OD1 3.07Å; R44-D127 PolarHBondContact N-OD2 3.44Å; R44-D127 IonicContact NE-OD1 2.61Å; R44-D127 IonicContact NE-OD2 3.82Å; R44-D127 IonicContact NH2-OD1 2.8Å; R44-D127 PolarHBondContact NH2-OD1 3.22Å; R44-D127 PolarHBondContact O-N 3.07Å; D127-K150 WeakPolarHBondContact O-CD 3.35Å; D127-P151 WeakPolarHBondContact O-CD 3.37Å
128	A	98	Very high	96.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	162.5	170	0	0	0	0	0	112.5	F40 P42 R44 V45 A46 A126 P151	F40-A128 HydrophobicContact CE2-CB 3.58Å; F40-A128 HydrophobicContact CZ-CB 3.29Å; P42-A128 HydrophobicContact CB-CB 4.17Å; P42-A128 HydrophobicContact CG-CB 4.49Å; R44-A128 PolarHBondContact O-N 3.33Å; V45-A128 WeakPolarHBondContact CA-O 3.5Å; V45-A128 HydrophobicContact CG2-CB 4.44Å; A46-A128 PolarHBondContact N-O 3.33Å; A126-A128 VanDerWaalsContact C-N 3.3Å; A126-A128 WeakPolarHBondContact CB-O 3.4Å; A128-P151 HydrophobicContact CB-CB 3.96Å; A128-P151 HydrophobicContact CB-CG 4.32Å
129	I	98.6	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.4	-178.5	-48.8	-175.2	0	0	0	109.9	A46 V48 Y118 V123 V141 V145 P151 V152 V153	A46-I129 HydrophobicContact CB-CG2 4.49Å; A46-I129 WeakPolarHBondContact O-CA 3.16Å; V48-I129 HydrophobicContact CG2-CG2 3.76Å; Y118-I129 HydrophobicContact CE2-CD1 4.09Å; Y118-I129 WeakPolarHBondContact OH-CD1 3.49Å; V123-I129 HydrophobicContact CB-CD1 4.41Å; V123-I129 HydrophobicContact CG1-CD1 4.3Å; V123-I129 HydrophobicContact CG2-CD1 3.92Å; I129-V141 HydrophobicContact CB-CG1 4.04Å; I129-V141 HydrophobicContact CD1-CG1 4.31Å; I129-V141 HydrophobicContact CG2-CG1 3.56Å; I129-V141 HydrophobicContact CG2-CG2 4.07Å; I129-V145 HydrophobicContact CD1-CG2 3.44Å; I129-V145 VanDerWaalsContact CD1-CG2 3.44Å; I129-P151 PolarHBondContact N-O 2.97Å; I129-V152 CarbonylContact O-C 3.56Å; I129-V152 WeakPolarHBondContact O-CA 3.45Å; I129-V153 PolarHBondContact O-N 3.43Å
130	V	98.6	Very high	96.3	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.6	170.4	175.7	0	0	0	0	108.5	V45 A46 V47 V48 V99 L103 V153 V155	V45-V130 HydrophobicContact CG1-CB 4.19Å; V45-V130 HydrophobicContact CG1-CG2 3.62Å; A46-V130 PolarHBondContact O-N 2.77Å; V47-V130 CarbonylContact C-O 3.5Å; V47-V130 WeakPolarHBondContact CA-O 3.35Å; V47-V130 HydrophobicContact CG2-CB 4.2Å; V48-V130 PolarHBondContact N-O 2.89Å; V99-V130 HydrophobicContact CG1-CG1 4.07Å; L103-V130 HydrophobicContact CD1-CG2 4.47Å; V130-V153 CarbonylContact C-O 3.58Å; V130-V153 VanDerWaalsContact CA-O 3.25Å; V130-V153 WeakPolarHBondContact CA-O 3.18Å; V130-V153 HydrophobicContact CG2-CB 4.29Å; V130-V155 HydrophobicContact CG1-CB 4.49Å; V130-V155 HydrophobicContact CG1-CG2 3.82Å
131	S	98.1	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	110.1	169.5	162.4	0	0	0	0	108.9	T137 M138 V153 V155	S131-T137 WeakPolarHBondContact OG-CB 3.41Å; S131-T137 VanDerWaalsContact OG-CG2 3.29Å; S131-T137 WeakPolarHBondContact OG-CG2 3.43Å; S131-M138 WeakPolarHBondContact OG-CA 3.49Å; S131-M138 PolarHBondContact OG-N 2.96Å; S131-V153 PolarHBondContact N-O 3.49Å; S131-V155 PolarHBondContact O-N 2.84Å
132	A	97.9	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	97.1	179	0	0	0	0	0	110.6	V47 V48 T49 K50 V96 T157	V47-A132 HydrophobicContact CG1-CB 3.82Å; V48-A132 PolarHBondContact O-N 3.09Å; T49-A132 WeakPolarHBondContact CA-O 3.38Å; K50-A132 PolarHBondContact N-O 3.44Å; V96-A132 HydrophobicContact CG2-CB 3.97Å; A132-T157 HydrophobicContact CB-CG2 3.87Å
133	G	95.6	Very high	96.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	163.8	-163.7	-166.4	0	0	0	0	0	111.6	V155 N156 T157	G133-V155 PolarHBondContact N-O 3.36Å; G133-N156 VanDerWaalsContact O-CA 3.25Å; G133-N156 WeakPolarHBondContact O-CA 3.3Å; G133-T157 VanDerWaalsContact CA-OG1 3.31Å; G133-T157 WeakPolarHBondContact CA-OG1 3.46Å; G133-T157 PolarHBondContact N-OG1 3.03Å
134	G	93.6	Very high	96.1	Very high	15 Å²	15	22.1 Å²	22.1	16%	0.155	12%	0.116	C	C	.	.	S	Bend	trans	-89	-164.9	171	0	0	0	0	0	112.1	G136 T137 M138	G134-G136 PolarHBondContact O-N 2.79Å; G134-T137 PolarHBondContact O-N 3.12Å; G134-M138 PolarHBondContact O-N 2.9Å
135	D	93.8	Very high	96.1	Very high	39 Å²	39	15 Å²	15	21%	0.209	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-35.5	178.1	-67.1	-24.9	0	0	0	112.7	T137 M138 L139 G164 H165 L166	D135-T137 VanDerWaalsContact C-N 3.28Å; D135-T137 PolarHBondContact O-N 2.79Å; D135-M138 WeakPolarHBondContact O-CA 3.31Å; D135-M138 VanDerWaalsContact O-CB 3.3Å; D135-M138 WeakPolarHBondContact O-CB 3.31Å; D135-M138 PolarHBondContact O-N 2.82Å; D135-L139 WeakPolarHBondContact O-CG 3.25Å; D135-L139 PolarHBondContact O-N 2.65Å; D135-G164 WeakPolarHBondContact OD1-CA 3.45Å; D135-H165 PolarHBondContact OD1-N 3.04Å; D135-H165 IonicContact OD2-CD2 2.72Å; D135-H165 PolarHBondContact OD2-N 2.85Å; D135-H165 VanDerWaalsContact OD2-N 3.08Å; D135-L166 HydrophobicContact CB-CD1 4.1Å; D135-L166 HydrophobicContact CB-CG 4.25Å; D135-L166 WeakPolarHBondContact OD1-CB 3.29Å; D135-L166 PolarHBondContact OD1-N 2.98Å
136	G	92.6	Very high	95.8	Very high	41 Å²	41	16.9 Å²	16.9	42%	0.423	10%	0.101	S	C	.	.	H	α-helix	trans	-60.3	-34.2	176.9	0	0	0	0	0	114.1	G134 L139 L140	G134-G136 PolarHBondContact O-N 2.79Å; G136-L139 PolarHBondContact O-N 2.91Å; G136-L140 PolarHBondContact O-N 2.73Å; G136-L140 VanDerWaalsContact O-N 3.09Å
137	T	95	Very high	95.6	Very high	12 Å²	12	21 Å²	21	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-71.2	-36.1	174.7	-51.3	0	0	0	0	110.8	V48 K50 S131 G134 D135 L139 L140 V141	V48-T137 HydrophobicContact CG1-CG2 4.49Å; V48-T137 WeakPolarHBondContact O-CG2 3.08Å; K50-T137 VanDerWaalsContact CB-OG1 3.29Å; K50-T137 WeakPolarHBondContact CB-OG1 3.42Å; S131-T137 WeakPolarHBondContact OG-CB 3.41Å; S131-T137 VanDerWaalsContact OG-CG2 3.29Å; S131-T137 WeakPolarHBondContact OG-CG2 3.43Å; G134-T137 PolarHBondContact O-N 3.12Å; D135-T137 VanDerWaalsContact C-N 3.28Å; D135-T137 PolarHBondContact O-N 2.79Å; T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 2.68Å; T137-L140 WeakPolarHBondContact O-CB 3.48Å; T137-L140 PolarHBondContact O-N 3.36Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 3.05Å
138	M	96.8	Very high	95.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-39.7	174.7	-175.2	66.8	178.7	0	0	111.2	S131 G134 D135 V141 A142 V152 L166 L255 L415 T417	S131-M138 WeakPolarHBondContact OG-CA 3.49Å; S131-M138 PolarHBondContact OG-N 2.96Å; G134-M138 PolarHBondContact O-N 2.9Å; D135-M138 WeakPolarHBondContact O-CA 3.31Å; D135-M138 VanDerWaalsContact O-CB 3.3Å; D135-M138 WeakPolarHBondContact O-CB 3.31Å; D135-M138 PolarHBondContact O-N 2.82Å; M138-V141 PolarHBondContact O-N 3.08Å; M138-A142 WeakPolarHBondContact O-CB 3.32Å; M138-A142 PolarHBondContact O-N 3.05Å; M138-V152 HydrophobicContact CE-CB 4.06Å; M138-V152 HydrophobicContact CE-CG1 3.53Å; M138-V152 HydrophobicContact SD-CG1 3.5Å; M138-V152 WeakPolarHBondContact SD-CG1 3.28Å; M138-L166 HydrophobicContact CB-CB 4.17Å; M138-L166 HydrophobicContact CB-CD1 4.21Å; M138-L166 HydrophobicContact CG-CB 3.78Å; M138-L166 HydrophobicContact CG-CD1 4.03Å; M138-L255 HydrophobicContact CG-CD2 4.47Å; M138-L415 HydrophobicContact CE-CD2 3.99Å; M138-T417 HydrophobicContact CE-CG2 3.42Å; M138-T417 VanDerWaalsContact CE-CG2 3.42Å
139	L	96.3	Very high	95.3	Very high	21 Å²	21	24 Å²	24	11%	0.11	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-44.5	174.7	-62.9	175.6	0	0	0	111.8	D135 G136 T137 V141 A142 S143 L166 L255 N256 D392	D135-L139 WeakPolarHBondContact O-CG 3.25Å; D135-L139 PolarHBondContact O-N 2.65Å; G136-L139 PolarHBondContact O-N 2.91Å; T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 2.68Å; L139-V141 VanDerWaalsContact C-N 3.35Å; L139-V141 PolarHBondContact O-N 3.43Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.37Å; L139-L166 HydrophobicContact CD2-CD1 4.1Å; L139-L255 HydrophobicContact CD2-CB 3.85Å; L139-L255 HydrophobicContact CD2-CD2 4.08Å; L139-L255 HydrophobicContact CD2-CG 4.22Å; L139-N256 HydrophobicContact CD2-CB 4.08Å; L139-D392 HydrophobicContact CB-CB 4.16Å; L139-D392 HydrophobicContact CD1-CB 4.22Å; L139-D392 HydrophobicContact CD2-CB 4.35Å; L139-D392 HydrophobicContact CG-CB 4.46Å
140	L	94	Very high	95.2	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-55.7	-50.4	173.4	171.6	68.1	0	0	0	111	V48 R115 Y118 G136 T137 S143	V48-L140 HydrophobicContact CG1-CD2 4.17Å; R115-L140 HydrophobicContact CB-CD2 3.99Å; R115-L140 HydrophobicContact CG-CD1 4.27Å; R115-L140 HydrophobicContact CG-CD2 3.63Å; Y118-L140 HydrophobicContact CD1-CD1 4.35Å; Y118-L140 HydrophobicContact CD1-CG 4.1Å; G136-L140 PolarHBondContact O-N 2.73Å; G136-L140 VanDerWaalsContact O-N 3.09Å; T137-L140 WeakPolarHBondContact O-CB 3.48Å; T137-L140 PolarHBondContact O-N 3.36Å; L140-S143 PolarHBondContact O-N 3.23Å; L140-S143 PolarHBondContact O-OG 3.19Å
141	V	96.5	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-51.2	179.7	169.3	0	0	0	0	110.8	V48 Y118 I129 T137 M138 L139 S143 K144 V145 V152	V48-V141 HydrophobicContact CB-CG2 3.65Å; V48-V141 HydrophobicContact CG1-CG2 3.88Å; V48-V141 HydrophobicContact CG2-CG2 3.85Å; Y118-V141 HydrophobicContact CE1-CG2 4.46Å; Y118-V141 PolarHBondContact OH-O 3.46Å; I129-V141 HydrophobicContact CB-CG1 4.04Å; I129-V141 HydrophobicContact CD1-CG1 4.31Å; I129-V141 HydrophobicContact CG2-CG1 3.56Å; I129-V141 HydrophobicContact CG2-CG2 4.07Å; T137-V141 WeakPolarHBondContact O-CG2 3.49Å; T137-V141 PolarHBondContact O-N 3.05Å; M138-V141 PolarHBondContact O-N 3.08Å; L139-V141 VanDerWaalsContact C-N 3.35Å; L139-V141 PolarHBondContact O-N 3.43Å; V141-S143 PolarHBondContact O-N 3.21Å; V141-K144 PolarHBondContact O-N 3.27Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CG2 3.39Å; V141-V145 PolarHBondContact O-N 3.23Å; V141-V152 HydrophobicContact CB-CG1 4.46Å; V141-V152 HydrophobicContact CG1-CB 4.46Å; V141-V152 HydrophobicContact CG1-CG1 3.53Å; V141-V152 HydrophobicContact CG1-CG2 4.02Å
142	A	96.6	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-30.4	-179.4	0	0	0	0	0	113.4	M138 L139 K144 R195 L255 L415	M138-A142 WeakPolarHBondContact O-CB 3.32Å; M138-A142 PolarHBondContact O-N 3.05Å; L139-A142 PolarHBondContact O-N 3.35Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.39Å; A142-R195 PolarHBondContact O-NH1 3.41Å; A142-L255 HydrophobicContact CB-CB 3.97Å; A142-L255 HydrophobicContact CB-CD2 3.81Å; A142-L255 HydrophobicContact CB-CG 4.43Å; A142-L415 HydrophobicContact CB-CD1 4.42Å; A142-L415 HydrophobicContact CB-CD2 3.55Å
143	S	93.7	Very high	95.1	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-29.8	-178.1	74.9	0	0	0	0	113.6	L139 L140 V141 V252 R253	L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 3.37Å; L140-S143 PolarHBondContact O-N 3.23Å; L140-S143 PolarHBondContact O-OG 3.19Å; V141-S143 PolarHBondContact O-N 3.21Å; S143-V252 WeakPolarHBondContact O-CA 3.33Å; S143-R253 WeakPolarHBondContact CA-O 3.47Å; S143-R253 PolarHBondContact O-N 3.33Å
144	K	92.4	Very high	95.2	Very high	69 Å²	69	25.6 Å²	25.6	30%	0.3	14%	0.144	S	C	.	.	H	α-helix	trans	-106.2	-10.7	-175.1	-54.3	-169	-174.9	-177.2	0	114.6	Y118 V123 V141 A142 L146	Y118-K144 HydrophobicContact CD1-CD 3.79Å; Y118-K144 HydrophobicContact CD1-CG 4.43Å; Y118-K144 HydrophobicContact CE1-CB 3.83Å; Y118-K144 HydrophobicContact CE1-CD 3.76Å; Y118-K144 HydrophobicContact CE1-CG 3.93Å; Y118-K144 PolarHBondContact O-NZ 3.01Å; V123-K144 HydrophobicContact CG2-CB 4.36Å; V141-K144 PolarHBondContact O-N 3.27Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.39Å; K144-L146 PolarHBondContact O-N 2.97Å
145	V	95.8	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-80.2	86.1	178.5	177.6	0	0	0	0	110.7	V123 I129 V141 K150 V152 R195 L415	V123-V145 HydrophobicContact CG1-CG2 4.41Å; I129-V145 HydrophobicContact CD1-CG2 3.44Å; I129-V145 VanDerWaalsContact CD1-CG2 3.44Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CG2 3.39Å; V141-V145 PolarHBondContact O-N 3.23Å; V145-K150 HydrophobicContact CG1-CB 3.62Å; V145-K150 HydrophobicContact CG1-CG 3.88Å; V145-V152 HydrophobicContact CB-CG2 4.45Å; V145-V152 HydrophobicContact CG1-CG2 4.27Å; V145-V152 HydrophobicContact CG2-CG2 3.98Å; V145-R195 PolarHBondContact O-NH1 2.94Å; V145-R195 PolarHBondContact O-NH2 3.43Å; V145-L415 HydrophobicContact CB-CD1 4Å; V145-L415 HydrophobicContact CG1-CD1 4.01Å
146	L	92.9	Very high	95.6	Very high	71 Å²	71	23.2 Å²	23.2	37%	0.372	13%	0.128	S	C	.	.			trans	-82	-23.1	-175.3	-58.1	-175.1	0	0	0	114	K144 K148 R253	K144-L146 PolarHBondContact O-N 2.97Å; L146-K148 PolarHBondContact O-N 3.45Å; L146-R253 HydrophobicContact CD2-CG 4.03Å
147	N	94	Very high	95.8	Very high	87 Å²	87	21.2 Å²	21.2	47%	0.465	11%	0.108	S	C	.	.			trans	-79.6	115.8	174	-179.1	-9.8	0	0	0	110	D149 K150	N147-D149 PolarHBondContact O-N 3.42Å; N147-D149 PolarHBondContact OD1-N 3.18Å; N147-K150 HydrophobicContact CB-CB 4.36Å; N147-K150 WeakPolarHBondContact O-CB 3.4Å; N147-K150 PolarHBondContact O-N 2.65Å; N147-K150 VanDerWaalsContact O-N 3.1Å
148	K	94	Very high	95.7	Very high	48 Å²	48	21.1 Å²	21.1	21%	0.209	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.3	178.6	70.5	179.6	176.8	56.9	0	113.7	L146 K150 W192 E412 R414 R416	L146-K148 PolarHBondContact O-N 3.45Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 2.9Å; K148-W192 HydrophobicContact CB-CZ3 4.18Å; K148-W192 HydrophobicContact CG-CZ3 4.35Å; K148-W192 VanDerWaalsContact O-CZ3 3.22Å; K148-W192 WeakPolarHBondContact O-CZ3 3.31Å; K148-E412 WeakPolarHBondContact CE-OE2 3.29Å; K148-R414 WeakPolarHBondContact CA-O 3.24Å; K148-R414 WeakPolarHBondContact CB-O 3.2Å; K148-R416 VanDerWaalsContact O-CB 3.23Å; K148-R416 WeakPolarHBondContact O-CB 3.26Å
149	D	94.3	Very high	95.5	Very high	68 Å²	68	22.2 Å²	22.2	36%	0.364	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.8	-176.5	-60.3	-51.4	0	0	0	112.8	N147 P151 W192 R416	N147-D149 PolarHBondContact O-N 3.42Å; N147-D149 PolarHBondContact OD1-N 3.18Å; D149-P151 WeakPolarHBondContact O-CD 3.37Å; D149-W192 WeakPolarHBondContact OD1-CH2 3.38Å; D149-R416 PolarHBondContact O-NH1 3Å; D149-R416 VanDerWaalsContact O-NH1 3.09Å; D149-R416 PolarHBondContact O-NH2 3.29Å; D149-R416 IonicContact OD1-NH1 3.52Å
150	K	96.4	Very high	95.2	Very high	29 Å²	29	28.3 Å²	28.3	13%	0.126	14%	0.142	C	C	.	.	S	Bend	trans	-83.1	116.1	173.1	-173.1	77	61.3	166.9	0	109.9	V123 A126 D127 V145 N147 K148	V123-K150 WeakPolarHBondContact O-CE 3.37Å; V123-K150 PolarHBondContact O-NZ 2.93Å; A126-K150 WeakPolarHBondContact O-CD 3.33Å; A126-K150 PolarHBondContact O-NZ 3.41Å; D127-K150 WeakPolarHBondContact O-CD 3.35Å; V145-K150 HydrophobicContact CG1-CB 3.62Å; V145-K150 HydrophobicContact CG1-CG 3.88Å; N147-K150 HydrophobicContact CB-CB 4.36Å; N147-K150 WeakPolarHBondContact O-CB 3.4Å; N147-K150 PolarHBondContact O-N 2.65Å; N147-K150 VanDerWaalsContact O-N 3.1Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 2.9Å
151	P	96.9	Very high	94.8	Very high	4 Å²	4	36 Å²	36	3%	0.026	17%	0.17	C	C	.	.			trans	-65.2	140	175.9	-25.2	38.3	0	0	0	112.9	F40 D127 A128 I129 D149 W190	F40-P151 HydrophobicContact CD2-CB 4.35Å; F40-P151 HydrophobicContact CD2-CG 4.08Å; F40-P151 HydrophobicContact CE2-CB 3.68Å; F40-P151 HydrophobicContact CE2-CG 3.6Å; F40-P151 HydrophobicContact CZ-CB 4.13Å; F40-P151 HydrophobicContact CZ-CG 4.5Å; D127-P151 WeakPolarHBondContact O-CD 3.37Å; A128-P151 HydrophobicContact CB-CB 3.96Å; A128-P151 HydrophobicContact CB-CG 4.32Å; I129-P151 PolarHBondContact N-O 2.97Å; D149-P151 WeakPolarHBondContact O-CD 3.37Å; P151-W190 HydrophobicContact CB-CH2 3.88Å; P151-W190 HydrophobicContact CB-CZ3 3.99Å; P151-W190 HydrophobicContact CG-CH2 3.82Å; P151-W190 HydrophobicContact CG-CZ3 4.3Å
152	V	98.1	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.1	166.7	-174.6	0	0	0	0	110.3	I129 M138 V141 V145 L415 R416 T417	I129-V152 CarbonylContact O-C 3.56Å; I129-V152 WeakPolarHBondContact O-CA 3.45Å; M138-V152 HydrophobicContact CE-CB 4.06Å; M138-V152 HydrophobicContact CE-CG1 3.53Å; M138-V152 HydrophobicContact SD-CG1 3.5Å; M138-V152 WeakPolarHBondContact SD-CG1 3.28Å; V141-V152 HydrophobicContact CB-CG1 4.46Å; V141-V152 HydrophobicContact CG1-CB 4.46Å; V141-V152 HydrophobicContact CG1-CG1 3.53Å; V141-V152 HydrophobicContact CG1-CG2 4.02Å; V145-V152 HydrophobicContact CB-CG2 4.45Å; V145-V152 HydrophobicContact CG1-CG2 4.27Å; V145-V152 HydrophobicContact CG2-CG2 3.98Å; V152-L415 HydrophobicContact CG2-CD1 3.88Å; V152-L415 HydrophobicContact CG2-CG 4.45Å; V152-R416 PolarHBondContact N-O 3.01Å; V152-T417 WeakPolarHBondContact O-CA 3.17Å
153	V	98	Very high	93.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120	177	-177	0	0	0	0	108.6	F40 I129 V130 S131 V155 L168 V418	F40-V153 HydrophobicContact CE1-CG2 4.4Å; I129-V153 PolarHBondContact O-N 3.43Å; V130-V153 CarbonylContact C-O 3.58Å; V130-V153 VanDerWaalsContact CA-O 3.25Å; V130-V153 WeakPolarHBondContact CA-O 3.18Å; V130-V153 HydrophobicContact CG2-CB 4.29Å; S131-V153 PolarHBondContact N-O 3.49Å; V153-V155 HydrophobicContact CG1-CG2 4.44Å; V153-L168 HydrophobicContact CG1-CD1 3.66Å; V153-L168 HydrophobicContact CG1-CD2 4.17Å; V153-L168 HydrophobicContact CG1-CG 3.92Å; V153-V418 HydrophobicContact CG2-CB 4.42Å; V153-V418 HydrophobicContact CG2-CG2 3.81Å
154	G	97.7	Very high	93.3	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.7	174.3	0	0	0	0	0	111.2	C167 L168	G154-C167 CarbonylContact O-C 3.58Å; G154-C167 VanDerWaalsContact O-CA 3.29Å; G154-C167 WeakPolarHBondContact O-CA 3.46Å; G154-C167 WeakPolarHBondContact O-CB 3.49Å; G154-L168 WeakPolarHBondContact O-CG 3.29Å; G154-L168 PolarHBondContact O-N 2.85Å
155	V	98	Very high	93.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.8	174.4	-178.5	0	0	0	0	108.7	V99 V130 S131 G133 V153 T157 L168 F176	V99-V155 HydrophobicContact CG2-CG1 3.93Å; V130-V155 HydrophobicContact CG1-CB 4.49Å; V130-V155 HydrophobicContact CG1-CG2 3.82Å; S131-V155 PolarHBondContact O-N 2.84Å; G133-V155 PolarHBondContact N-O 3.36Å; V153-V155 HydrophobicContact CG1-CG2 4.44Å; V155-T157 PolarHBondContact O-N 2.98Å; V155-L168 HydrophobicContact CG2-CD1 4.36Å; V155-F176 HydrophobicContact CG1-CD2 4.47Å; V155-F176 HydrophobicContact CG2-CD2 3.96Å; V155-F176 HydrophobicContact CG2-CE2 3.55Å
156	N	97.1	Very high	93.2	Very high	2 Å²	2	48 Å²	48	1%	0.011	23%	0.233	C	C	.	.			trans	-73.3	111.7	175.6	-171.4	-10.8	0	0	0	110.2	G133 D158 P159 S162 C167 T173	G133-N156 VanDerWaalsContact O-CA 3.25Å; G133-N156 WeakPolarHBondContact O-CA 3.3Å; N156-D158 PolarHBondContact OD1-N 3.43Å; N156-D158 VanDerWaalsContact OD1-N 3.12Å; N156-D158 PolarHBondContact OD1-O 3.32Å; N156-P159 WeakPolarHBondContact ND2-CA 3.42Å; N156-S162 PolarHBondContact ND2-O 3.34Å; N156-S162 PolarHBondContact ND2-OG 2.99Å; N156-S162 PolarHBondContact OD1-OG 3.3Å; N156-C167 HydrophobicContact CB-CB 4Å; N156-T173 WeakPolarHBondContact O-CB 3.4Å; N156-T173 WeakPolarHBondContact O-CG2 3.48Å; N156-T173 PolarHBondContact O-OG1 3.14Å
157	T	96.8	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-91.7	-2.8	-175.2	47.4	0	0	0	0	114.3	H92 N95 V96 A132 G133 V155	H92-T157 PolarHBondContact CE1-OG1 3.03Å; H92-T157 VanDerWaalsContact ND1-CB 3.3Å; H92-T157 WeakPolarHBondContact ND1-CB 3.46Å; H92-T157 PolarHBondContact ND1-OG1 3.08Å; N95-T157 HydrophobicContact CB-CG2 4.21Å; N95-T157 PolarHBondContact ND2-O 3.04Å; V96-T157 HydrophobicContact CG2-CG2 3.95Å; A132-T157 HydrophobicContact CB-CG2 3.87Å; G133-T157 VanDerWaalsContact CA-OG1 3.31Å; G133-T157 WeakPolarHBondContact CA-OG1 3.46Å; G133-T157 PolarHBondContact N-OG1 3.03Å; V155-T157 PolarHBondContact O-N 2.98Å
158	D	94.4	Very high	93.5	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	20%	0.202	C	C	.	.			trans	-148.8	70.5	174	-172.5	3.7	0	0	0	109.2	R88 N156 E160 R161 S162	R88-D158 WeakPolarHBondContact CD-OD2 3.36Å; R88-D158 IonicContact NH1-OD1 3.67Å; R88-D158 PolarHBondContact NH1-OD1 3.38Å; R88-D158 VanDerWaalsContact NH1-OD1 3.17Å; N156-D158 PolarHBondContact OD1-N 3.43Å; N156-D158 VanDerWaalsContact OD1-N 3.12Å; N156-D158 PolarHBondContact OD1-O 3.32Å; D158-E160 PolarHBondContact O-N 3.07Å; D158-R161 PolarHBondContact O-N 3.29Å; D158-S162 PolarHBondContact O-N 3.22Å; D158-S162 PolarHBondContact O-OG 3.03Å; D158-S162 VanDerWaalsContact O-OG 3.12Å
159	P	91.4	Very high	93.6	Very high	25 Å²	25	40.8 Å²	40.8	16%	0.162	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.1	-171.8	27.5	-35.2	0	0	0	114.2	N156 R161 S162 V170 T173	N156-P159 WeakPolarHBondContact ND2-CA 3.42Å; P159-R161 VanDerWaalsContact C-N 3.26Å; P159-R161 PolarHBondContact O-N 3.07Å; P159-S162 VanDerWaalsContact O-O 3.13Å; P159-V170 HydrophobicContact CB-CB 4.2Å; P159-V170 HydrophobicContact CB-CG1 3.44Å; P159-V170 VanDerWaalsContact CB-CG1 3.44Å; P159-V170 HydrophobicContact CB-CG2 3.9Å; P159-V170 HydrophobicContact CG-CG1 3.88Å; P159-T173 HydrophobicContact CG-CG2 4.24Å
160	E	90.2	Very high	93.6	Very high	149 Å²	149	40.9 Å²	40.9	70%	0.696	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.8	173.5	-64.8	-177.9	173.8	0	0	112.9	R88 D158	R88-E160 IonicContact CZ-OE2 3.78Å; R88-E160 IonicContact NH1-OE2 3.61Å; R88-E160 PolarHBondContact NH1-OE2 2.98Å; R88-E160 IonicContact NH2-OE2 3.02Å; R88-E160 PolarHBondContact NH2-OE2 3.38Å; D158-E160 PolarHBondContact O-N 3.07Å
161	R	85.3	Confident	93.5	Very high	180 Å²	180	43.2 Å²	43.2	68%	0.679	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-12	-175.9	-73.6	-76.5	-171.2	-177.9	-2	113.5	D158 P159	D158-R161 PolarHBondContact O-N 3.29Å; P159-R161 VanDerWaalsContact C-N 3.26Å; P159-R161 PolarHBondContact O-N 3.07Å
162	S	84.4	Confident	93.4	Very high	41 Å²	41	43.1 Å²	43.1	29%	0.287	21%	0.21	S	C	.	.			trans	-144.7	139.1	-177.5	65.6	0	0	0	0	111	N156 D158 P159	N156-S162 PolarHBondContact ND2-O 3.34Å; N156-S162 PolarHBondContact ND2-OG 2.99Å; N156-S162 PolarHBondContact OD1-OG 3.3Å; D158-S162 PolarHBondContact O-N 3.22Å; D158-S162 PolarHBondContact O-OG 3.03Å; D158-S162 VanDerWaalsContact O-OG 3.12Å; P159-S162 VanDerWaalsContact O-O 3.13Å
163	E	85.1	Confident	93.2	Very high	144 Å²	144	43.2 Å²	43.2	67%	0.673	21%	0.211	S	C	*	.			trans	-70.2	-42.4	-178.9	-60.8	-171.1	-163.9	0	0	111.6	H165	E163-H165 IonicContact OE2-CE1 3.91Å; E163-H165 PolarHBondContact OE2-CE1 3.12Å; E163-H165 IonicContact OE2-ND1 3.97Å; E163-H165 IonicContact OE2-NE2 3.63Å; E163-H165 PolarHBondContact OE2-NE2 3.47Å
164	G	85.9	Confident	93	Very high	8 Å²	8	49 Å²	49	8%	0.082	24%	0.237	C	C	.	.			trans	68.5	53.9	178	0	0	0	0	0	112.8	D135 L166 C167	D135-G164 WeakPolarHBondContact OD1-CA 3.45Å; G164-L166 PolarHBondContact O-N 3.21Å; G164-L166 VanDerWaalsContact O-N 3.14Å; G164-C167 WeakPolarHBondContact O-CB 3.34Å; G164-C167 PolarHBondContact O-N 2.72Å
165	H	91.8	Very high	92.9	Very high	116 Å²	116	50.3 Å²	50.3	54%	0.537	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	-176.9	-67.3	-57.5	0	0	0	114.3	D135 E163	D135-H165 PolarHBondContact OD1-N 3.04Å; D135-H165 IonicContact OD2-CD2 2.72Å; D135-H165 PolarHBondContact OD2-N 2.85Å; D135-H165 VanDerWaalsContact OD2-N 3.08Å; E163-H165 IonicContact OE2-CE1 3.91Å; E163-H165 PolarHBondContact OE2-CE1 3.12Å; E163-H165 IonicContact OE2-ND1 3.97Å; E163-H165 IonicContact OE2-NE2 3.63Å; E163-H165 PolarHBondContact OE2-NE2 3.47Å
166	L	95.1	Very high	92.9	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.089	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.4	178.8	-51.7	-179	0	0	0	112.7	D135 M138 L139 G164 L255 T294	D135-L166 HydrophobicContact CB-CD1 4.1Å; D135-L166 HydrophobicContact CB-CG 4.25Å; D135-L166 WeakPolarHBondContact OD1-CB 3.29Å; D135-L166 PolarHBondContact OD1-N 2.98Å; M138-L166 HydrophobicContact CB-CB 4.17Å; M138-L166 HydrophobicContact CB-CD1 4.21Å; M138-L166 HydrophobicContact CG-CB 3.78Å; M138-L166 HydrophobicContact CG-CD1 4.03Å; L139-L166 HydrophobicContact CD2-CD1 4.1Å; G164-L166 PolarHBondContact O-N 3.21Å; G164-L166 VanDerWaalsContact O-N 3.14Å; L166-L255 HydrophobicContact CD1-CD2 4.05Å; L166-T294 HydrophobicContact CD1-CG2 4.49Å; L166-T294 HydrophobicContact CD2-CG2 3.33Å
167	C	96.6	Very high	92.9	Very high	19 Å²	19	53.3 Å²	53.3	13%	0.128	27%	0.267	C	S	.	.	S	Bend	trans	-93.9	169.6	-179.5	-60.1	0	0	0	0	112.1	G154 N156 G164	G154-C167 CarbonylContact O-C 3.58Å; G154-C167 VanDerWaalsContact O-CA 3.29Å; G154-C167 WeakPolarHBondContact O-CA 3.46Å; G154-C167 WeakPolarHBondContact O-CB 3.49Å; N156-C167 HydrophobicContact CB-CB 4Å; G164-C167 WeakPolarHBondContact O-CB 3.34Å; G164-C167 PolarHBondContact O-N 2.72Å
168	L	96.6	Very high	92.9	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.052	28%	0.284	C	S	.	.	S	Bend	trans	-58.3	154.9	167.9	-61.2	178.2	0	0	0	110.4	V153 G154 V155 V170 Y172 A179 V418 L420	V153-L168 HydrophobicContact CG1-CD1 3.66Å; V153-L168 HydrophobicContact CG1-CD2 4.17Å; V153-L168 HydrophobicContact CG1-CG 3.92Å; G154-L168 WeakPolarHBondContact O-CG 3.29Å; G154-L168 PolarHBondContact O-N 2.85Å; V155-L168 HydrophobicContact CG2-CD1 4.36Å; L168-V170 PolarHBondContact O-N 3.21Å; L168-Y172 HydrophobicContact CB-CD2 4.29Å; L168-A179 HydrophobicContact CD1-CB 4.24Å; L168-V418 HydrophobicContact CD2-CB 4.4Å; L168-V418 HydrophobicContact CD2-CG1 3.94Å; L168-L420 HydrophobicContact CD1-CD1 4.27Å; L168-L420 HydrophobicContact CD2-CB 4.4Å; L168-L420 HydrophobicContact CD2-CD1 3.98Å; L168-L420 HydrophobicContact CD2-CG 4.22Å
169	P	95.5	Very high	93	Very high	27 Å²	27	56.5 Å²	56.5	18%	0.175	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-47.6	137.7	173.4	-28.7	32.5	0	0	0	112.9	R171 Y172 L420 Q422	P169-R171 HydrophobicContact CB-CG 4.26Å; P169-R171 PolarHBondContact O-N 3.38Å; P169-Y172 HydrophobicContact CB-CD2 3.86Å; P169-Y172 HydrophobicContact CB-CE2 4.18Å; P169-Y172 HydrophobicContact CG-CD2 4Å; P169-Y172 HydrophobicContact CG-CE2 4.02Å; P169-Y172 WeakPolarHBondContact O-CB 3.33Å; P169-Y172 PolarHBondContact O-N 3.44Å; P169-L420 WeakPolarHBondContact CG-O 3.48Å; P169-Q422 HydrophobicContact CB-CG 4.22Å; P169-Q422 HydrophobicContact CG-CG 4.38Å
170	V	94	Very high	93.2	Very high	69 Å²	69	55.8 Å²	55.8	42%	0.418	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-37	-171.9	165.9	0	0	0	0	114.1	P159 L168 Y172 T173	P159-V170 HydrophobicContact CB-CB 4.2Å; P159-V170 HydrophobicContact CB-CG1 3.44Å; P159-V170 VanDerWaalsContact CB-CG1 3.44Å; P159-V170 HydrophobicContact CB-CG2 3.9Å; P159-V170 HydrophobicContact CG-CG1 3.88Å; L168-V170 PolarHBondContact O-N 3.21Å; V170-Y172 PolarHBondContact O-N 2.79Å; V170-Y172 VanDerWaalsContact O-N 3.14Å; V170-T173 VanDerWaalsContact O-CB 3.26Å; V170-T173 WeakPolarHBondContact O-CB 3.25Å; V170-T173 PolarHBondContact O-N 3.4Å; V170-T173 PolarHBondContact O-OG1 3.41Å
171	R	94.1	Very high	93.5	Very high	79 Å²	79	53.1 Å²	53.1	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-55.7	-31.1	176.8	56.1	175.5	-80.1	-103.6	-10.2	113.8	P169 T173 H174 A175 E178 Q422	P169-R171 HydrophobicContact CB-CG 4.26Å; P169-R171 PolarHBondContact O-N 3.38Å; R171-T173 PolarHBondContact O-N 3.46Å; R171-H174 PolarHBondContact O-N 3.19Å; R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 2.84Å; R171-E178 IonicContact CZ-OE1 3.04Å; R171-E178 IonicContact CZ-OE2 2.62Å; R171-E178 IonicContact NH2-OE1 2.85Å; R171-E178 PolarHBondContact NH2-OE1 2.61Å; R171-E178 IonicContact NH2-OE2 3.44Å; R171-E178 PolarHBondContact NH2-OE2 2.95Å; R171-Q422 WeakPolarHBondContact CD-OXT 3.46Å; R171-Q422 PolarHBondContact NE-OXT 2.84Å; R171-Q422 PolarHBondContact NH1-OXT 2.94Å
172	Y	95.8	Very high	94	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-76.7	-8	-179.6	-67.8	-57.9	0	0	0	114.1	L168 P169 V170 H174 F176 A179 R182 L420 D421	L168-Y172 HydrophobicContact CB-CD2 4.29Å; P169-Y172 HydrophobicContact CB-CD2 3.86Å; P169-Y172 HydrophobicContact CB-CE2 4.18Å; P169-Y172 HydrophobicContact CG-CD2 4Å; P169-Y172 HydrophobicContact CG-CE2 4.02Å; P169-Y172 WeakPolarHBondContact O-CB 3.33Å; P169-Y172 PolarHBondContact O-N 3.44Å; V170-Y172 PolarHBondContact O-N 2.79Å; V170-Y172 VanDerWaalsContact O-N 3.14Å; Y172-H174 VanDerWaalsContact C-N 3.3Å; Y172-F176 VanDerWaalsContact O-CA 3.27Å; Y172-F176 WeakPolarHBondContact O-CA 3.49Å; Y172-F176 WeakPolarHBondContact O-CB 3.25Å; Y172-F176 PolarHBondContact O-N 2.94Å; Y172-F176 VanDerWaalsContact O-N 3.15Å; Y172-A179 HydrophobicContact CD1-CB 3.45Å; Y172-A179 VanDerWaalsContact CD1-CB 3.45Å; Y172-A179 HydrophobicContact CE1-CB 3.93Å; Y172-A179 HydrophobicContact CG-CB 3.81Å; Y172-R182 WeakPolarHBondContact OH-CD 3.48Å; Y172-R182 VanDerWaalsContact OH-CZ 3.28Å; Y172-R182 PolarHBondContact OH-NH1 2.89Å; Y172-L420 HydrophobicContact CD2-CB 4.4Å; Y172-L420 HydrophobicContact CD2-CD1 4.12Å; Y172-L420 HydrophobicContact CE1-CD1 4.43Å; Y172-L420 HydrophobicContact CE2-CB 3.67Å; Y172-L420 HydrophobicContact CE2-CD1 3.78Å; Y172-L420 HydrophobicContact CE2-CG 4.33Å; Y172-D421 PolarHBondContact OH-O 2.87Å
173	T	94.4	Very high	94.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-43.7	165.9	-58.6	0	0	0	0	110.7	N95 N156 P159 V170 R171	N95-T173 HydrophobicContact CB-CG2 4.35Å; N156-T173 WeakPolarHBondContact O-CB 3.4Å; N156-T173 WeakPolarHBondContact O-CG2 3.48Å; N156-T173 PolarHBondContact O-OG1 3.14Å; P159-T173 HydrophobicContact CG-CG2 4.24Å; V170-T173 VanDerWaalsContact O-CB 3.26Å; V170-T173 WeakPolarHBondContact O-CB 3.25Å; V170-T173 PolarHBondContact O-N 3.4Å; V170-T173 PolarHBondContact O-OG1 3.41Å; R171-T173 PolarHBondContact O-N 3.46Å
174	H	93.6	Very high	94.9	Very high	126 Å²	126	39.5 Å²	39.5	58%	0.583	21%	0.205	S	C	*	.	H	α-helix	trans	-94.9	-22.2	-178.2	-55.4	-60.7	0	0	0	113.1	H98 R171 Y172	H98-H174 PolarHBondContact NE2-O 2.94Å; R171-H174 PolarHBondContact O-N 3.19Å; Y172-H174 VanDerWaalsContact C-N 3.3Å
175	A	95.8	Very high	95.3	Very high	29 Å²	29	46 Å²	46	24%	0.24	23%	0.227	C	C	.	.			trans	-111.8	41.7	177.8	0	0	0	0	0	111.5	R171 P177 E178 A179	R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 2.84Å; A175-P177 VanDerWaalsContact C-CD 3.49Å; A175-E178 HydrophobicContact CB-CB 4.28Å; A175-E178 WeakPolarHBondContact O-CB 3.45Å; A175-E178 PolarHBondContact O-N 3.36Å; A175-E178 VanDerWaalsContact O-N 3.08Å; A175-A179 PolarHBondContact O-N 3.02Å
176	F	97.3	Very high	95.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-36.9	-177.2	-171.3	-95	0	0	0	114	V99 L103 V155 Y172 E178 A179 L180	V99-F176 HydrophobicContact CB-CD1 4.37Å; V99-F176 HydrophobicContact CB-CE1 4.46Å; V99-F176 HydrophobicContact CG1-CD1 4.31Å; V99-F176 HydrophobicContact CG1-CE1 3.92Å; V99-F176 HydrophobicContact CG1-CE2 4.26Å; V99-F176 HydrophobicContact CG1-CZ 3.88Å; V99-F176 HydrophobicContact CG2-CB 4.39Å; V99-F176 HydrophobicContact CG2-CD1 4.26Å; V99-F176 HydrophobicContact CG2-CD2 3.96Å; V99-F176 HydrophobicContact CG2-CE2 4.32Å; V99-F176 HydrophobicContact CG2-CG 3.92Å; L103-F176 HydrophobicContact CD2-CE1 4.25Å; L103-F176 HydrophobicContact CD2-CZ 4.5Å; L103-F176 HydrophobicContact CG-CE1 4.03Å; V155-F176 HydrophobicContact CG1-CD2 4.47Å; V155-F176 HydrophobicContact CG2-CD2 3.96Å; V155-F176 HydrophobicContact CG2-CE2 3.55Å; Y172-F176 VanDerWaalsContact O-CA 3.27Å; Y172-F176 WeakPolarHBondContact O-CA 3.49Å; Y172-F176 WeakPolarHBondContact O-CB 3.25Å; Y172-F176 PolarHBondContact O-N 2.94Å; Y172-F176 VanDerWaalsContact O-N 3.15Å; F176-E178 PolarHBondContact O-N 2.92Å; F176-A179 HydrophobicContact CD2-CB 4.46Å; F176-A179 VanDerWaalsContact O-CB 3.32Å; F176-A179 WeakPolarHBondContact O-CB 3.31Å; F176-A179 PolarHBondContact O-N 2.79Å; F176-A179 VanDerWaalsContact O-N 3.09Å; F176-L180 HydrophobicContact CE1-CB 4.34Å; F176-L180 PolarHBondContact O-N 2.91Å
177	P	97.1	Very high	95.4	Very high	65 Å²	65	43.3 Å²	43.3	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-54.6	-39	171.9	-27.5	33.2	0	0	0	113.5	H98 S102 A175 L180 E181	H98-P177 WeakPolarHBondContact NE2-CD 3.14Å; S102-P177 WeakPolarHBondContact OG-CD 3.41Å; S102-P177 WeakPolarHBondContact OG-CG 3.43Å; A175-P177 VanDerWaalsContact C-CD 3.49Å; P177-L180 PolarHBondContact O-N 2.84Å; P177-E181 WeakPolarHBondContact O-CB 3.1Å; P177-E181 PolarHBondContact O-N 3.32Å
178	E	96.7	Very high	95.3	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-67.8	-41.8	177.3	-163.9	-153	134.3	0	0	111	R171 A175 F176 L180 E181 R182	R171-E178 IonicContact CZ-OE1 3.04Å; R171-E178 IonicContact CZ-OE2 2.62Å; R171-E178 IonicContact NH2-OE1 2.85Å; R171-E178 PolarHBondContact NH2-OE1 2.61Å; R171-E178 IonicContact NH2-OE2 3.44Å; R171-E178 PolarHBondContact NH2-OE2 2.95Å; A175-E178 HydrophobicContact CB-CB 4.28Å; A175-E178 WeakPolarHBondContact O-CB 3.45Å; A175-E178 PolarHBondContact O-N 3.36Å; A175-E178 VanDerWaalsContact O-N 3.08Å; F176-E178 PolarHBondContact O-N 2.92Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 3.11Å; E178-E181 PolarHBondContact O-N 2.8Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 2.89Å
179	A	96.4	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-51.6	172.8	0	0	0	0	0	110.2	L168 Y172 A175 F176 E181 R182 L183 L420	L168-A179 HydrophobicContact CD1-CB 4.24Å; Y172-A179 HydrophobicContact CD1-CB 3.45Å; Y172-A179 VanDerWaalsContact CD1-CB 3.45Å; Y172-A179 HydrophobicContact CE1-CB 3.93Å; Y172-A179 HydrophobicContact CG-CB 3.81Å; A175-A179 PolarHBondContact O-N 3.02Å; F176-A179 HydrophobicContact CD2-CB 4.46Å; F176-A179 VanDerWaalsContact O-CB 3.32Å; F176-A179 WeakPolarHBondContact O-CB 3.31Å; F176-A179 PolarHBondContact O-N 2.79Å; F176-A179 VanDerWaalsContact O-N 3.09Å; A179-E181 VanDerWaalsContact C-N 3.35Å; A179-E181 PolarHBondContact O-N 3.37Å; A179-R182 PolarHBondContact O-N 3.09Å; A179-L183 VanDerWaalsContact O-CG 3.27Å; A179-L183 WeakPolarHBondContact O-CG 3.43Å; A179-L183 PolarHBondContact O-N 2.6Å; A179-L420 HydrophobicContact CB-CD1 3.88Å
180	L	96.3	Very high	95.2	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-43.2	-178.7	-177.3	59.3	0	0	0	111.9	L103 A106 F176 P177 E178 L183 C184	L103-L180 HydrophobicContact CD2-CD1 4.02Å; L103-L180 HydrophobicContact CD2-CD2 4.13Å; A106-L180 HydrophobicContact CB-CD2 3.68Å; F176-L180 HydrophobicContact CE1-CB 4.34Å; F176-L180 PolarHBondContact O-N 2.91Å; P177-L180 PolarHBondContact O-N 2.84Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 3.11Å; L180-L183 WeakPolarHBondContact O-CB 3.46Å; L180-L183 PolarHBondContact O-N 3.17Å; L180-C184 WeakPolarHBondContact O-CB 3.23Å; L180-C184 PolarHBondContact O-N 2.69Å; L180-C184 PolarHBondContact O-SG 3.33Å
181	E	95.3	Very high	95.3	Very high	94 Å²	94	49.3 Å²	49.3	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-46.4	175.9	-179.4	168.4	-140.5	0	0	111.9	P177 E178 A179 L183 C184 R185	P177-E181 WeakPolarHBondContact O-CB 3.1Å; P177-E181 PolarHBondContact O-N 3.32Å; E178-E181 PolarHBondContact O-N 2.8Å; A179-E181 VanDerWaalsContact C-N 3.35Å; A179-E181 PolarHBondContact O-N 3.37Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.24Å; E181-C184 WeakPolarHBondContact O-CB 3.21Å; E181-C184 PolarHBondContact O-N 3.16Å; E181-R185 HydrophobicContact CG-CG 4.48Å; E181-R185 WeakPolarHBondContact O-CB 3.39Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 2.96Å; E181-R185 IonicContact OE1-CZ 3.94Å; E181-R185 VanDerWaalsContact OE1-CZ 3.27Å; E181-R185 IonicContact OE1-NE 3.75Å; E181-R185 PolarHBondContact OE1-NE 3.12Å; E181-R185 IonicContact OE1-NH2 3.27Å; E181-R185 PolarHBondContact OE1-NH2 2.6Å; E181-R185 IonicContact OE2-NH2 3.65Å
182	R	95.7	Very high	95.5	Very high	43 Å²	43	48.6 Å²	48.6	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-41.4	175.6	-72.3	-176.2	62.9	170.3	-8.5	111.5	Y172 E178 A179 R185 G186 E187 L420	Y172-R182 WeakPolarHBondContact OH-CD 3.48Å; Y172-R182 VanDerWaalsContact OH-CZ 3.28Å; Y172-R182 PolarHBondContact OH-NH1 2.89Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 2.89Å; A179-R182 PolarHBondContact O-N 3.09Å; R182-R185 PolarHBondContact O-N 3.18Å; R182-G186 PolarHBondContact O-N 3.13Å; R182-G186 VanDerWaalsContact O-N 3.09Å; R182-E187 HydrophobicContact CB-CB 4.01Å; R182-E187 HydrophobicContact CG-CB 4.31Å; R182-E187 IonicContact NE-OE2 3.92Å; R182-E187 PolarHBondContact NH2-O 3.47Å; R182-E187 PolarHBondContact O-N 3.11Å; R182-L420 HydrophobicContact CB-CD2 4.11Å
183	L	94.8	Very high	95.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-47.5	174.7	-62.6	177.5	0	0	0	111.9	F40 A179 L180 E181 R185 G186 F188 V418 L420	F40-L183 HydrophobicContact CB-CB 4.29Å; F40-L183 HydrophobicContact CD1-CB 3.89Å; F40-L183 HydrophobicContact CD1-CD1 3.98Å; F40-L183 HydrophobicContact CD1-CG 4.42Å; F40-L183 HydrophobicContact CE1-CD1 4.26Å; F40-L183 PolarHBondContact N-O 2.76Å; A179-L183 VanDerWaalsContact O-CG 3.27Å; A179-L183 WeakPolarHBondContact O-CG 3.43Å; A179-L183 PolarHBondContact O-N 2.6Å; L180-L183 WeakPolarHBondContact O-CB 3.46Å; L180-L183 PolarHBondContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.24Å; L183-R185 PolarHBondContact O-N 3.22Å; L183-G186 PolarHBondContact O-N 3.32Å; L183-F188 HydrophobicContact CD2-CB 3.91Å; L183-F188 HydrophobicContact CD2-CD1 3.77Å; L183-F188 HydrophobicContact CD2-CD2 4.16Å; L183-F188 HydrophobicContact CD2-CE1 4.31Å; L183-F188 HydrophobicContact CD2-CG 3.69Å; L183-F188 WeakPolarHBondContact O-CE1 3.43Å; L183-V418 HydrophobicContact CD2-CB 4.38Å; L183-V418 HydrophobicContact CD2-CG1 3.39Å; L183-V418 HydrophobicContact CD2-CG2 4.08Å; L183-L420 HydrophobicContact CD2-CD1 4.31Å; L183-L420 HydrophobicContact CD2-CD2 4.2Å; L183-L420 HydrophobicContact CD2-CG 4.28Å
184	C	93.6	Very high	95.8	Very high	33 Å²	33	49.6 Å²	49.6	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-30.3	177.4	-75.6	0	0	0	0	113.2	G39 K41 L180 E181	G39-C184 WeakPolarHBondContact CA-O 3.26Å; K41-C184 VanDerWaalsContact CE-O 3.26Å; K41-C184 WeakPolarHBondContact CE-O 3.17Å; K41-C184 HydrophobicContact CG-CB 4.16Å; L180-C184 WeakPolarHBondContact O-CB 3.23Å; L180-C184 PolarHBondContact O-N 2.69Å; L180-C184 PolarHBondContact O-SG 3.33Å; E181-C184 WeakPolarHBondContact O-CB 3.21Å; E181-C184 PolarHBondContact O-N 3.16Å
185	R	94.1	Very high	96	Very high	145 Å²	145	43.6 Å²	43.6	55%	0.547	20%	0.198	S	C	.	.	H	α-helix	trans	-86.9	-9.4	176.7	-68.1	176.6	-176.8	-173.5	1.2	114.1	E181 R182 L183 E187	E181-R185 HydrophobicContact CG-CG 4.48Å; E181-R185 WeakPolarHBondContact O-CB 3.39Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 2.96Å; E181-R185 IonicContact OE1-CZ 3.94Å; E181-R185 VanDerWaalsContact OE1-CZ 3.27Å; E181-R185 IonicContact OE1-NE 3.75Å; E181-R185 PolarHBondContact OE1-NE 3.12Å; E181-R185 IonicContact OE1-NH2 3.27Å; E181-R185 PolarHBondContact OE1-NH2 2.6Å; E181-R185 IonicContact OE2-NH2 3.65Å; R182-R185 PolarHBondContact O-N 3.18Å; L183-R185 PolarHBondContact O-N 3.22Å; R185-E187 HydrophobicContact CB-CG 3.97Å; R185-E187 WeakPolarHBondContact CD-OE1 3.3Å; R185-E187 IonicContact NH1-OE1 3.95Å
186	G	94	Very high	96.1	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	18.4	-175.4	0	0	0	0	0	113.9	R37 R182 L183 F188	R37-G186 WeakPolarHBondContact CD-O 3.48Å; R182-G186 PolarHBondContact O-N 3.13Å; R182-G186 VanDerWaalsContact O-N 3.09Å; L183-G186 PolarHBondContact O-N 3.32Å; G186-F188 PolarHBondContact O-N 3.07Å
187	E	94.9	Very high	96.1	Very high	75 Å²	75	44.8 Å²	44.8	35%	0.35	20%	0.196	S	C	.	.			trans	-85.3	48.9	-178.5	-63.4	175.7	-157.8	0	0	112.6	R182 R185 L420	R182-E187 HydrophobicContact CB-CB 4.01Å; R182-E187 HydrophobicContact CG-CB 4.31Å; R182-E187 IonicContact NE-OE2 3.92Å; R182-E187 PolarHBondContact NH2-O 3.47Å; R182-E187 PolarHBondContact O-N 3.11Å; R185-E187 HydrophobicContact CB-CG 3.97Å; R185-E187 WeakPolarHBondContact CD-OE1 3.3Å; R185-E187 IonicContact NH1-OE1 3.95Å; E187-L420 WeakPolarHBondContact O-CD2 3.35Å
188	F	95.1	Very high	96	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	18%	0.176	C	C	.	.	S	Bend	trans	-149.9	176.7	-177.3	71.4	-83.1	0	0	0	110.9	F40 L183 G186 W190 V418 L419 L420	F40-F188 HydrophobicContact CB-CE1 3.88Å; F40-F188 HydrophobicContact CB-CZ 3.76Å; L183-F188 HydrophobicContact CD2-CB 3.91Å; L183-F188 HydrophobicContact CD2-CD1 3.77Å; L183-F188 HydrophobicContact CD2-CD2 4.16Å; L183-F188 HydrophobicContact CD2-CE1 4.31Å; L183-F188 HydrophobicContact CD2-CG 3.69Å; L183-F188 WeakPolarHBondContact O-CE1 3.43Å; G186-F188 PolarHBondContact O-N 3.07Å; F188-W190 AromaticContact CE2-CD2 3.62Å; F188-W190 HydrophobicContact CE2-CD2 3.62Å; F188-W190 AromaticContact CE2-CE2 3.42Å; F188-W190 VanDerWaalsContact CE2-CE2 3.42Å; F188-W190 AromaticContact CE2-CE3 3.88Å; F188-W190 HydrophobicContact CE2-CE3 3.88Å; F188-W190 HydrophobicContact CE2-CG 4.23Å; F188-W190 AromaticContact CE2-CH2 3.79Å; F188-W190 HydrophobicContact CE2-CH2 3.79Å; F188-W190 AromaticContact CE2-CZ2 3.53Å; F188-W190 HydrophobicContact CE2-CZ2 3.53Å; F188-W190 AromaticContact CE2-CZ3 3.96Å; F188-W190 HydrophobicContact CE2-CZ3 3.96Å; F188-W190 AromaticContact CE2-NE1 3.88Å; F188-W190 HydrophobicContact CZ-CD2 4.38Å; F188-W190 AromaticContact CZ-CE2 3.71Å; F188-W190 HydrophobicContact CZ-CH2 4.01Å; F188-W190 AromaticContact CZ-CZ2 3.52Å; F188-W190 HydrophobicContact CZ-CZ2 3.52Å; F188-V418 HydrophobicContact CB-CG1 4.17Å; F188-V418 HydrophobicContact CD2-CB 4.49Å; F188-V418 HydrophobicContact CD2-CG1 3.95Å; F188-V418 HydrophobicContact CD2-CG2 4.19Å; F188-V418 HydrophobicContact CE2-CG2 4.23Å; F188-V418 HydrophobicContact CG-CG1 4.3Å; F188-L419 WeakPolarHBondContact CB-O 3.47Å; F188-L420 HydrophobicContact CB-CD2 3.54Å; F188-L420 HydrophobicContact CB-CG 4.3Å
189	R	95	Very high	96	Very high	131 Å²	131	40.6 Å²	40.6	49%	0.494	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.3	172.4	-68.1	179.3	-74.5	147.2	-4	110.8	L419 D421	R189-L419 HydrophobicContact CB-CB 4.32Å; R189-L419 PolarHBondContact N-O 3.32Å; R189-L419 PolarHBondContact O-N 2.91Å; R189-D421 IonicContact CZ-OD1 3.78Å; R189-D421 IonicContact NH2-OD1 3.92Å; R189-D421 PolarHBondContact NH2-OD1 3.15Å
190	W	95.6	Very high	95.9	Very high	83 Å²	83	40.6 Å²	40.6	31%	0.314	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.1	168.3	-68.5	117.3	0	0	0	110.3	F40 P151 F188 R416 V418	F40-W190 HydrophobicContact CD2-CH2 4Å; F40-W190 HydrophobicContact CD2-CZ2 4.48Å; F40-W190 HydrophobicContact CG-CH2 4.36Å; P151-W190 HydrophobicContact CB-CH2 3.88Å; P151-W190 HydrophobicContact CB-CZ3 3.99Å; P151-W190 HydrophobicContact CG-CH2 3.82Å; P151-W190 HydrophobicContact CG-CZ3 4.3Å; F188-W190 AromaticContact CE2-CD2 3.62Å; F188-W190 HydrophobicContact CE2-CD2 3.62Å; F188-W190 AromaticContact CE2-CE2 3.42Å; F188-W190 VanDerWaalsContact CE2-CE2 3.42Å; F188-W190 AromaticContact CE2-CE3 3.88Å; F188-W190 HydrophobicContact CE2-CE3 3.88Å; F188-W190 HydrophobicContact CE2-CG 4.23Å; F188-W190 AromaticContact CE2-CH2 3.79Å; F188-W190 HydrophobicContact CE2-CH2 3.79Å; F188-W190 AromaticContact CE2-CZ2 3.53Å; F188-W190 HydrophobicContact CE2-CZ2 3.53Å; F188-W190 AromaticContact CE2-CZ3 3.96Å; F188-W190 HydrophobicContact CE2-CZ3 3.96Å; F188-W190 AromaticContact CE2-NE1 3.88Å; F188-W190 HydrophobicContact CZ-CD2 4.38Å; F188-W190 AromaticContact CZ-CE2 3.71Å; F188-W190 HydrophobicContact CZ-CH2 4.01Å; F188-W190 AromaticContact CZ-CZ2 3.52Å; F188-W190 HydrophobicContact CZ-CZ2 3.52Å; W190-R416 HydrophobicContact CD2-CG 3.86Å; W190-R416 HydrophobicContact CE3-CG 3.34Å; W190-R416 HydrophobicContact CG-CG 4.45Å; W190-R416 HydrophobicContact CZ3-CG 3.77Å; W190-V418 HydrophobicContact CE3-CG2 4.24Å; W190-V418 HydrophobicContact CH2-CG2 4.26Å; W190-V418 HydrophobicContact CZ3-CG2 3.63Å
191	L	96.6	Very high	95.7	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.115	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.7	168.6	179.4	65.8	0	0	0	109.9	R193 P348 T417 L419	L191-R193 HydrophobicContact CD2-CG 3.97Å; L191-R193 VanDerWaalsContact CD2-CZ 3.48Å; L191-R193 HydrophobicContact CG-CG 3.99Å; L191-R193 PolarHBondContact O-N 3.09Å; L191-P348 HydrophobicContact CD1-CG 4.03Å; L191-P348 HydrophobicContact CD2-CG 3.92Å; L191-P348 HydrophobicContact CG-CG 4.4Å; L191-T417 PolarHBondContact N-O 3.4Å; L191-T417 PolarHBondContact O-N 2.84Å; L191-T417 PolarHBondContact O-OG1 3.13Å; L191-T417 VanDerWaalsContact O-OG1 3.05Å; L191-L419 HydrophobicContact CB-CD1 3.73Å; L191-L419 HydrophobicContact CB-CD2 4.48Å; L191-L419 HydrophobicContact CB-CG 3.74Å; L191-L419 HydrophobicContact CD1-CD1 4.27Å; L191-L419 HydrophobicContact CD2-CD1 4.06Å; L191-L419 HydrophobicContact CD2-CD2 4.03Å; L191-L419 HydrophobicContact CD2-CG 4.15Å; L191-L419 HydrophobicContact CG-CD1 4.24Å
192	W	97.6	Very high	95.4	Very high	64 Å²	64	38.9 Å²	38.9	24%	0.242	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	89	-179	-65.3	93.7	0	0	0	110.3	K148 D149 D349 R414 R416	K148-W192 HydrophobicContact CB-CZ3 4.18Å; K148-W192 HydrophobicContact CG-CZ3 4.35Å; K148-W192 VanDerWaalsContact O-CZ3 3.22Å; K148-W192 WeakPolarHBondContact O-CZ3 3.31Å; D149-W192 WeakPolarHBondContact OD1-CH2 3.38Å; W192-D349 VanDerWaalsContact O-CA 3.29Å; W192-D349 WeakPolarHBondContact O-CA 3.46Å; W192-D349 VanDerWaalsContact O-CB 3.27Å; W192-D349 WeakPolarHBondContact O-CB 3.47Å; W192-R414 HydrophobicContact CB-CB 4.39Å; W192-R414 HydrophobicContact CE3-CB 4.07Å; W192-R416 HydrophobicContact CD2-CB 4.49Å; W192-R416 HydrophobicContact CE3-CB 4Å; W192-R416 HydrophobicContact CE3-CG 4.46Å; W192-R416 HydrophobicContact CH2-CB 4.11Å; W192-R416 HydrophobicContact CH2-CG 4.11Å; W192-R416 HydrophobicContact CZ2-CG 4.13Å; W192-R416 HydrophobicContact CZ3-CB 3.81Å; W192-R416 HydrophobicContact CZ3-CG 4.27Å
193	R	98.1	Very high	94.8	Very high	22 Å²	22	40.9 Å²	40.9	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.4	-176.4	-57	178.2	177.3	-96.9	6.4	110.2	L191 L255 T294 P348 R414 L415 T417	L191-R193 HydrophobicContact CD2-CG 3.97Å; L191-R193 VanDerWaalsContact CD2-CZ 3.48Å; L191-R193 HydrophobicContact CG-CG 3.99Å; L191-R193 PolarHBondContact O-N 3.09Å; R193-L255 HydrophobicContact CB-CD1 3.77Å; R193-T294 PolarHBondContact NH1-OG1 3.3Å; R193-P348 CarbonylContact C-O 3.51Å; R193-P348 WeakPolarHBondContact CA-O 3.35Å; R193-P348 HydrophobicContact CG-CB 4.29Å; R193-R414 CarbonylContact O-C 3.49Å; R193-R414 VanDerWaalsContact O-CA 3.25Å; R193-R414 WeakPolarHBondContact O-CA 3.33Å; R193-L415 HydrophobicContact CB-CB 4.41Å; R193-L415 PolarHBondContact N-O 2.65Å; R193-L415 PolarHBondContact O-N 3.32Å; R193-T417 HydrophobicContact CG-CG2 4.49Å; R193-T417 PolarHBondContact NE-OG1 2.96Å
194	Q	98	Very high	93.8	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	20%	0.2	C	C	.	.			trans	-63.7	148.1	170.5	-63.1	-62.2	-20.5	0	0	110.6	P348 D349 E350	Q194-P348 PolarHBondContact N-O 3.02Å; Q194-D349 PolarHBondContact NE2-O 2.97Å; Q194-E350 VanDerWaalsContact CG-O 3.28Å; Q194-E350 WeakPolarHBondContact CG-O 3.38Å
195	R	98	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.197	C	C	.	.			trans	-131.6	150.9	171.9	-65.4	-172	-72.5	171.6	-3.1	110.5	A142 V145 R253 S254 L255 D413 R414 L415	A142-R195 PolarHBondContact O-NH1 3.41Å; V145-R195 PolarHBondContact O-NH1 2.94Å; V145-R195 PolarHBondContact O-NH2 3.43Å; R195-R253 HydrophobicContact CB-CB 3.94Å; R195-S254 CarbonylContact C-O 3.51Å; R195-S254 WeakPolarHBondContact CA-O 3.29Å; R195-S254 WeakPolarHBondContact CB-O 3.37Å; R195-L255 HydrophobicContact CG-CB 4.48Å; R195-L255 HydrophobicContact CG-CD1 4.01Å; R195-D413 WeakPolarHBondContact CB-O 3.39Å; R195-D413 PolarHBondContact NE-O 2.91Å; R195-D413 PolarHBondContact NH2-O 3.11Å; R195-R414 PolarHBondContact NH2-O 2.82Å; R195-L415 HydrophobicContact CG-CB 4.31Å
196	L	98.2	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.6	175.7	-48.3	171.8	0	0	0	110.2	S254 I258 V290 T292 L353 V407 T408 V409	L196-S254 PolarHBondContact N-O 2.87Å; L196-S254 PolarHBondContact O-N 3.41Å; L196-I258 HydrophobicContact CD1-CG1 4.23Å; L196-I258 HydrophobicContact CD1-CG2 4.17Å; L196-V290 HydrophobicContact CD1-CB 4.48Å; L196-V290 HydrophobicContact CD1-CG1 4.28Å; L196-V290 WeakPolarHBondContact CD1-O 3.03Å; L196-T292 HydrophobicContact CD1-CG2 4.45Å; L196-T292 HydrophobicContact CD2-CG2 3.77Å; L196-T292 HydrophobicContact CG-CG2 3.67Å; L196-L353 HydrophobicContact CD2-CB 3.88Å; L196-L353 HydrophobicContact CD2-CD2 4.17Å; L196-V407 HydrophobicContact CB-CG1 4.04Å; L196-V407 HydrophobicContact CD1-CG1 4.22Å; L196-V407 HydrophobicContact CD2-CG1 4.21Å; L196-V407 HydrophobicContact CG-CG1 4.39Å; L196-T408 WeakPolarHBondContact CA-O 3.47Å; L196-V409 HydrophobicContact CD2-CG1 3.91Å
197	R	97.2	Very high	91.6	Very high	57 Å²	57	37 Å²	37	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.5	168.7	179.3	180	-69.5	-166.8	-2.4	109.6	L249 V407 T408 D413	R197-L249 HydrophobicContact CG-CD1 3.58Å; R197-V407 WeakPolarHBondContact O-CA 3.42Å; R197-T408 PolarHBondContact N-O 2.89Å; R197-T408 PolarHBondContact O-N 3.04Å; R197-D413 WeakPolarHBondContact CB-OD2 3.22Å; R197-D413 IonicContact CZ-OD1 3.07Å; R197-D413 IonicContact CZ-OD2 2.72Å; R197-D413 IonicContact NE-OD1 2.63Å; R197-D413 IonicContact NE-OD2 2.97Å; R197-D413 PolarHBondContact NE-OD2 2.9Å; R197-D413 IonicContact NH2-OD1 2.71Å; R197-D413 PolarHBondContact NH2-OD1 3.07Å; R197-D413 IonicContact NH2-OD2 3.08Å; R197-D413 PolarHBondContact NH2-OD2 3Å
198	L	95.9	Very high	91	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126	-174	-55.1	170.7	0	0	0	110.7	L249 L250 I258 M389 V391 V407	L198-L249 WeakPolarHBondContact O-CD1 3.46Å; L198-L250 HydrophobicContact CB-CB 4.27Å; L198-L250 HydrophobicContact CB-CD1 3.89Å; L198-L250 HydrophobicContact CB-CG 4.18Å; L198-L250 HydrophobicContact CD1-CD1 4.11Å; L198-L250 PolarHBondContact O-N 3.47Å; L198-I258 HydrophobicContact CD1-CG2 3.93Å; L198-I258 HydrophobicContact CD2-CD1 3.76Å; L198-I258 HydrophobicContact CD2-CG2 3.93Å; L198-I258 HydrophobicContact CG-CG2 4.49Å; L198-M389 HydrophobicContact CD1-CE 4.05Å; L198-M389 HydrophobicContact CD1-SD 4.39Å; L198-M389 HydrophobicContact CD2-SD 4.32Å; L198-V391 HydrophobicContact CD1-CG2 3.51Å; L198-V407 HydrophobicContact CD2-CB 4.37Å; L198-V407 HydrophobicContact CD2-CG1 3.97Å; L198-V407 HydrophobicContact CD2-CG2 4.01Å
199	H	95.7	Very high	90.5	Very high	50 Å²	50	38.3 Å²	38.3	23%	0.231	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.8	165.7	-59.2	81.4	0	0	0	109.7	P247 S248 A405 T406	H199-P247 HydrophobicContact CB-CB 4.05Å; H199-S248 CarbonylContact C-O 3.5Å; H199-S248 VanDerWaalsContact CA-O 3.29Å; H199-S248 WeakPolarHBondContact CA-O 3.47Å; H199-A405 CarbonylContact O-C 3.56Å; H199-A405 WeakPolarHBondContact O-CA 3.43Å; H199-T406 PolarHBondContact N-O 3.18Å; H199-T406 PolarHBondContact O-N 2.79Å
200	L	94	Very high	90.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.4	173.3	-68.2	-171.6	0	0	0	111.1	I205 S248 L250 M389 F397 F399 I404 A405	L200-I205 HydrophobicContact CB-CD1 4.45Å; L200-I205 HydrophobicContact CB-CG2 4.46Å; L200-S248 PolarHBondContact N-O 2.84Å; L200-S248 PolarHBondContact O-N 2.89Å; L200-L250 HydrophobicContact CB-CD2 4.5Å; L200-L250 HydrophobicContact CD1-CD1 3.96Å; L200-L250 HydrophobicContact CD1-CD2 3.88Å; L200-L250 HydrophobicContact CD1-CG 4.32Å; L200-L250 HydrophobicContact CG-CD1 3.99Å; L200-L250 HydrophobicContact CG-CD2 4.05Å; L200-L250 HydrophobicContact CG-CG 4.14Å; L200-M389 HydrophobicContact CD1-CE 4.08Å; L200-M389 HydrophobicContact CD2-CE 3.69Å; L200-M389 HydrophobicContact CD2-SD 4.42Å; L200-M389 HydrophobicContact CG-CE 4.09Å; L200-F397 HydrophobicContact CD1-CB 4.29Å; L200-F399 HydrophobicContact CD2-CD2 4.01Å; L200-F399 HydrophobicContact CD2-CE2 3.85Å; L200-I404 WeakPolarHBondContact CA-O 3.25Å; L200-A405 HydrophobicContact CD2-CB 3.82Å
201	E	93.3	Very high	89.4	Confident	51 Å²	51	30.7 Å²	30.7	24%	0.238	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	176.8	173	68.2	-174.1	167.5	0	0	111.5	P247 I404	E201-P247 WeakPolarHBondContact OE2-CD 3.34Å; E201-P247 VanDerWaalsContact OE2-CG 3.28Å; E201-P247 WeakPolarHBondContact OE2-CG 3.36Å; E201-I404 HydrophobicContact CG-CB 3.69Å; E201-I404 HydrophobicContact CG-CD1 4.39Å; E201-I404 HydrophobicContact CG-CG2 4.07Å; E201-I404 PolarHBondContact N-O 3.03Å; E201-I404 PolarHBondContact O-N 3.36Å
202	G	88.6	Confident	88.6	Confident	16 Å²	16	31.8 Å²	31.8	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.5	-160.3	178.4	0	0	0	0	0	113.7
203	T	82.9	Confident	86.9	Confident	85 Å²	85	33.6 Å²	33.6	52%	0.521	19%	0.189	S	C	.	.	S	Bend	trans	-94	165.4	179.4	56.9	0	0	0	0	110.9	I205 D401 G402 A403	T203-I205 PolarHBondContact O-N 3.02Å; T203-D401 PolarHBondContact OG1-O 3.44Å; T203-G402 PolarHBondContact N-O 2.93Å; T203-G402 CarbonylContact O-C 3.54Å; T203-G402 VanDerWaalsContact O-C 3.25Å; T203-G402 WeakPolarHBondContact OG1-CA 3.4Å; T203-A403 WeakPolarHBondContact O-CA 3.35Å; T203-A403 WeakPolarHBondContact O-CB 3.42Å; T203-A403 PolarHBondContact O-N 2.83Å
204	G	73.3	Confident	84.7	Confident	34 Å²	34	36.1 Å²	36.1	35%	0.351	20%	0.202	S	C	.	.	S	Bend	trans	67.7	21.2	174.1	0	0	0	0	0	114.8	N400	G204-N400 PolarHBondContact O-N 3.45Å
205	I	79.2	Confident	82.5	Confident	30 Å²	30	40.4 Å²	40.4	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.4	175.9	62.1	174	0	0	0	111.4	L200 T203 A403	L200-I205 HydrophobicContact CB-CD1 4.45Å; L200-I205 HydrophobicContact CB-CG2 4.46Å; T203-I205 PolarHBondContact O-N 3.02Å; I205-A403 HydrophobicContact CG2-CB 3.46Å; I205-A403 VanDerWaalsContact CG2-CB 3.46Å
206	N	78.8	Confident	80.4	Confident	5 Å²	5	46 Å²	46	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	109.2	165.3	-177.5	-0.1	0	0	0	108.4	T208 S229 T230 E398	N206-T208 PolarHBondContact O-N 2.88Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.22Å; N206-T208 PolarHBondContact OD1-OG1 3.32Å; N206-S229 PolarHBondContact ND2-OG 2.79Å; N206-T230 PolarHBondContact ND2-OG1 3.28Å; N206-E398 HydrophobicContact CB-CB 3.92Å; N206-E398 HydrophobicContact CB-CG 3.84Å; N206-E398 PolarHBondContact ND2-OE1 2.83Å; N206-E398 VanDerWaalsContact ND2-OE1 3.1Å
207	P	78.4	Confident	78.2	Confident	33 Å²	33	48 Å²	48	21%	0.214	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-2.2	-178.9	32.6	-35.8	0	0	0	112.7	P209 L250 F397	P207-P209 WeakPolarHBondContact O-CD 3.35Å; P207-L250 HydrophobicContact CB-CD2 4.26Å; P207-F397 WeakPolarHBondContact O-CE1 3.42Å
208	T	81.7	Confident	76.3	Confident	53 Å²	53	48 Å²	48	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.8	176	-46.1	0	0	0	0	109.1	N206	N206-T208 PolarHBondContact O-N 2.88Å; N206-T208 WeakPolarHBondContact OD1-CB 3.35Å; N206-T208 PolarHBondContact OD1-N 3.22Å; N206-T208 PolarHBondContact OD1-OG1 3.32Å
209	P	85.6	Confident	74.4	Confident	62 Å²	62	51.1 Å²	51.1	40%	0.403	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.6	178.5	27.4	-32.4	0	0	0	111	P207 T395 F397	P207-P209 WeakPolarHBondContact O-CD 3.35Å; P209-T395 HydrophobicContact CB-CG2 3.37Å; P209-F397 HydrophobicContact CB-CE1 3.78Å; P209-F397 HydrophobicContact CB-CZ 3.85Å; P209-F397 HydrophobicContact CG-CE1 4.49Å
210	V	84.6	Confident	72.5	Confident	10 Å²	10	55 Å²	55	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	164.9	174.4	0	0	0	0	108.7	L217 A225 H226 S396	V210-L217 HydrophobicContact CG1-CD1 4.08Å; V210-A225 HydrophobicContact CG1-CB 4.06Å; V210-A225 HydrophobicContact CG2-CB 4.23Å; V210-H226 WeakPolarHBondContact CG2-CE1 3.49Å; V210-H226 WeakPolarHBondContact CG2-ND1 3.36Å; V210-S396 PolarHBondContact N-O 3.29Å; V210-S396 PolarHBondContact O-N 3.11Å
211	D	82.4	Confident	70.7	Confident	45 Å²	45	59.5 Å²	59.5	24%	0.241	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	178	-167.4	-36.7	0	0	0	111.2	R115 H213	R115-D211 VanDerWaalsContact CZ-CG 3.49Å; R115-D211 IonicContact CZ-OD1 2.71Å; R115-D211 IonicContact CZ-OD2 3.93Å; R115-D211 IonicContact NH1-OD1 3.81Å; R115-D211 PolarHBondContact NH1-OD1 2.92Å; R115-D211 IonicContact NH1-OD2 3.76Å; R115-D211 PolarHBondContact NH1-OD2 3.3Å; R115-D211 IonicContact NH2-OD1 3.76Å; R115-D211 PolarHBondContact NH2-OD1 3.16Å; R115-D211 IonicContact NH2-OD2 3.68Å; R115-D211 PolarHBondContact NH2-OD2 3.1Å; D211-H213 PolarHBondContact OD1-N 3.48Å; D211-H213 VanDerWaalsContact OD1-N 3.09Å
212	L	78.8	Confident	69.2	Low	44 Å²	44	58 Å²	58	23%	0.23	32%	0.315	C	S	.	.	S	Bend	trans	-87.5	-30.6	-174.9	-60.7	-178	0	0	0	114.8	Q216 V390 G394	L212-Q216 PolarHBondContact O-N 3.34Å; L212-V390 HydrophobicContact CD1-CG1 3.75Å; L212-V390 HydrophobicContact CD1-CG2 4.24Å; L212-G394 PolarHBondContact N-O 3.26Å
213	H	62.4	Low	67.9	Low	103 Å²	103	58.2 Å²	58.2	48%	0.477	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-37.1	-168.1	-85.6	-79.2	0	0	0	113.7	R115 D211 Q215	R115-H213 VanDerWaalsContact CZ-CB 3.4Å; R115-H213 VanDerWaalsContact NH1-CB 3.32Å; D211-H213 PolarHBondContact OD1-N 3.48Å; D211-H213 VanDerWaalsContact OD1-N 3.09Å; H213-Q215 VanDerWaalsContact C-N 3.31Å
214	E	52.3	Low	66.9	Low	75 Å²	75	61.1 Å²	61.1	35%	0.35	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.1	179.3	-89	-179.3	-172.1	0	0	112.3	F56 R115 G116	F56-E214 WeakPolarHBondContact CE2-O 3.49Å; R115-E214 WeakPolarHBondContact CB-OE1 3.48Å; R115-E214 WeakPolarHBondContact CG-OE1 3.36Å; G116-E214 PolarHBondContact N-OE1 3.41Å; G116-E214 VanDerWaalsContact N-OE1 3.16Å
215	Q	50.3	Low	66.3	Low	94 Å²	94	60.6 Å²	60.6	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-17.7	-166	-60.7	-169.5	-6.4	0	0	113.6	H213 L217	H213-Q215 VanDerWaalsContact C-N 3.31Å; Q215-L217 HydrophobicContact CB-CD1 3.96Å; Q215-L217 HydrophobicContact CB-CD2 3.51Å; Q215-L217 HydrophobicContact CB-CG 3.38Å; Q215-L217 HydrophobicContact CG-CD2 4.4Å; Q215-L217 WeakPolarHBondContact O-CA 3.26Å; Q215-L217 PolarHBondContact O-N 3.05Å; Q215-L217 VanDerWaalsContact OE1-CD1 3.22Å
216	Q	54.7	Low	65.6	Low	117 Å²	117	59.6 Å²	59.6	55%	0.547	30%	0.301	S	S	.	.			trans	31.8	48	-174	-74.3	-170.2	-10.1	0	0	111.6	F56 L212 S218	F56-Q216 HydrophobicContact CE1-CG 4.31Å; F56-Q216 HydrophobicContact CE2-CG 4.36Å; F56-Q216 HydrophobicContact CZ-CB 4.11Å; F56-Q216 VanDerWaalsContact CZ-CD 3.43Å; F56-Q216 HydrophobicContact CZ-CG 3.68Å; L212-Q216 PolarHBondContact O-N 3.34Å; Q216-S218 PolarHBondContact O-N 2.85Å
217	L	51.7	Low	64.7	Low	42 Å²	42	67.3 Å²	67.3	22%	0.22	33%	0.33	C	S	.	.			trans	-63.6	135.1	-166.1	-64.8	166.4	0	0	0	108.3	V210 Q215 Q221 H222 A225	V210-L217 HydrophobicContact CG1-CD1 4.08Å; Q215-L217 HydrophobicContact CB-CD1 3.96Å; Q215-L217 HydrophobicContact CB-CD2 3.51Å; Q215-L217 HydrophobicContact CB-CG 3.38Å; Q215-L217 HydrophobicContact CG-CD2 4.4Å; Q215-L217 WeakPolarHBondContact O-CA 3.26Å; Q215-L217 PolarHBondContact O-N 3.05Å; Q215-L217 VanDerWaalsContact OE1-CD1 3.22Å; L217-Q221 HydrophobicContact CB-CB 3.93Å; L217-Q221 HydrophobicContact CD2-CB 3.54Å; L217-Q221 HydrophobicContact CG-CB 4.31Å; L217-H222 HydrophobicContact CB-CB 3.94Å; L217-H222 HydrophobicContact CD1-CB 4.13Å; L217-A225 HydrophobicContact CD1-CB 4.28Å
218	S	57.3	Low	63.8	Low	56 Å²	56	70.5 Å²	70.5	39%	0.392	34%	0.344	S	S	.	.			trans	-58.4	157.4	157.7	77.9	0	0	0	0	109	Q216 E220 Q221 H222	Q216-S218 PolarHBondContact O-N 2.85Å; S218-E220 PolarHBondContact O-N 2.7Å; S218-E220 VanDerWaalsContact O-N 3.11Å; S218-Q221 PolarHBondContact O-N 3.23Å; S218-Q221 WeakPolarHBondContact OG-CG 3.39Å; S218-Q221 PolarHBondContact OG-N 2.99Å; S218-Q221 PolarHBondContact OG-OE1 3Å; S218-H222 PolarHBondContact O-N 2.71Å
219	L	57.4	Low	62.7	Low	67 Å²	67	69 Å²	69	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-51.3	-38.9	176.6	179.2	62.3	0	0	0	111.8	H222 N223 L264	L219-H222 PolarHBondContact O-N 3.01Å; L219-N223 WeakPolarHBondContact O-CB 3.34Å; L219-N223 PolarHBondContact O-N 3.35Å; L219-N223 PolarHBondContact O-OD1 3.17Å; L219-L264 HydrophobicContact CD2-CB 4.41Å; L219-L264 HydrophobicContact CD2-CD1 3.9Å
220	E	54.2	Low	61.3	Low	131 Å²	131	68 Å²	68	61%	0.612	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-42.8	175.3	-68	-169.7	177.3	0	0	113.1	S218 H222 N223 R224	S218-E220 PolarHBondContact O-N 2.7Å; S218-E220 VanDerWaalsContact O-N 3.11Å; E220-H222 VanDerWaalsContact C-N 3.33Å; E220-N223 PolarHBondContact O-N 2.92Å; E220-R224 WeakPolarHBondContact O-CB 3.38Å; E220-R224 VanDerWaalsContact O-CG 3.24Å; E220-R224 WeakPolarHBondContact O-CG 3.49Å; E220-R224 PolarHBondContact O-N 2.59Å; E220-R224 IonicContact OE2-NH2 3.87Å
221	Q	57.5	Low	60	Low	97 Å²	97	70.6 Å²	70.6	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-69.6	-35.1	179	-63	170.6	-51.9	0	0	111.1	L217 S218 R224 A225	L217-Q221 HydrophobicContact CB-CB 3.93Å; L217-Q221 HydrophobicContact CD2-CB 3.54Å; L217-Q221 HydrophobicContact CG-CB 4.31Å; S218-Q221 PolarHBondContact O-N 3.23Å; S218-Q221 WeakPolarHBondContact OG-CG 3.39Å; S218-Q221 PolarHBondContact OG-N 2.99Å; S218-Q221 PolarHBondContact OG-OE1 3Å; Q221-R224 PolarHBondContact O-N 3.34Å; Q221-A225 PolarHBondContact O-N 2.72Å
222	H	61.2	Low	58.7	Low	19 Å²	19	72.4 Å²	72.4	9%	0.088	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-50.4	173.3	-177.5	63.6	0	0	0	111.1	L217 S218 L219 E220 R224 A225 H226 C388	L217-H222 HydrophobicContact CB-CB 3.94Å; L217-H222 HydrophobicContact CD1-CB 4.13Å; S218-H222 PolarHBondContact O-N 2.71Å; L219-H222 PolarHBondContact O-N 3.01Å; E220-H222 VanDerWaalsContact C-N 3.33Å; H222-R224 VanDerWaalsContact C-N 3.27Å; H222-R224 PolarHBondContact O-N 3.49Å; H222-A225 PolarHBondContact O-N 3.25Å; H222-A225 VanDerWaalsContact O-N 3.16Å; H222-H226 AromaticContact CD2-CD2 4Å; H222-H226 AromaticContact CE1-CD2 3.46Å; H222-H226 PolarHBondContact CE1-CD2 2.92Å; H222-H226 VanDerWaalsContact CE1-CD2 3.46Å; H222-H226 AromaticContact CE1-NE2 3.21Å; H222-H226 PolarHBondContact CE1-NE2 3.19Å; H222-H226 AromaticContact NE2-CD2 3.43Å; H222-H226 PolarHBondContact NE2-CD2 3.37Å; H222-H226 AromaticContact NE2-NE2 3.42Å; H222-H226 PolarHBondContact NE2-NE2 2.84Å; H222-H226 PolarHBondContact O-N 2.8Å; H222-H226 VanDerWaalsContact O-N 3.15Å; H222-C388 PolarHBondContact NE2-SG 3.4Å
223	N	60.8	Low	57.4	Low	21 Å²	21	76.2 Å²	76.2	11%	0.112	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-34.7	177.3	-70.8	3.2	0	0	0	111.6	L219 E220 R227 D386	L219-N223 WeakPolarHBondContact O-CB 3.34Å; L219-N223 PolarHBondContact O-N 3.35Å; L219-N223 PolarHBondContact O-OD1 3.17Å; E220-N223 PolarHBondContact O-N 2.92Å; N223-R227 WeakPolarHBondContact O-CB 3.23Å; N223-R227 WeakPolarHBondContact O-CG 3.46Å; N223-R227 PolarHBondContact O-N 3Å; N223-D386 PolarHBondContact ND2-OD2 3.27Å
224	R	62.5	Low	56.9	Low	146 Å²	146	77.3 Å²	77.3	55%	0.551	37%	0.371	S	S	*	.	H	α-helix	trans	-67.3	-42.5	172.9	-75.9	176.4	-165.9	-167.6	7.8	112.4	E220 Q221 H222 H226 R227 I228	E220-R224 WeakPolarHBondContact O-CB 3.38Å; E220-R224 VanDerWaalsContact O-CG 3.24Å; E220-R224 WeakPolarHBondContact O-CG 3.49Å; E220-R224 PolarHBondContact O-N 2.59Å; E220-R224 IonicContact OE2-NH2 3.87Å; Q221-R224 PolarHBondContact O-N 3.34Å; H222-R224 VanDerWaalsContact C-N 3.27Å; H222-R224 PolarHBondContact O-N 3.49Å; R224-H226 VanDerWaalsContact C-N 3.31Å; R224-H226 PolarHBondContact O-N 2.88Å; R224-R227 PolarHBondContact O-N 2.8Å; R224-I228 HydrophobicContact CB-CD1 4.49Å; R224-I228 WeakPolarHBondContact O-CB 3.26Å; R224-I228 VanDerWaalsContact O-CG1 3.23Å; R224-I228 WeakPolarHBondContact O-CG1 3.44Å; R224-I228 PolarHBondContact O-N 3.03Å
225	A	60.5	Low	56.8	Low	23 Å²	23	80.9 Å²	80.9	19%	0.19	39%	0.387	C	S	.	.	H	α-helix	trans	-59.1	-45.1	178.8	0	0	0	0	0	111.3	V210 L217 Q221 H222 S229	V210-A225 HydrophobicContact CG1-CB 4.06Å; V210-A225 HydrophobicContact CG2-CB 4.23Å; L217-A225 HydrophobicContact CD1-CB 4.28Å; Q221-A225 PolarHBondContact O-N 2.72Å; H222-A225 PolarHBondContact O-N 3.25Å; H222-A225 VanDerWaalsContact O-N 3.16Å; A225-S229 PolarHBondContact O-N 2.98Å; A225-S229 VanDerWaalsContact O-N 3.16Å; A225-S229 PolarHBondContact O-OG 3.47Å
226	H	64.8	Low	56.9	Low	8 Å²	8	87 Å²	87	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-59.6	-50.1	172.3	-83.5	-53	0	0	0	111.8	V210 H222 R224 I228 S229 T230 S396 E398	V210-H226 WeakPolarHBondContact CG2-CE1 3.49Å; V210-H226 WeakPolarHBondContact CG2-ND1 3.36Å; H222-H226 AromaticContact CD2-CD2 4Å; H222-H226 AromaticContact CE1-CD2 3.46Å; H222-H226 PolarHBondContact CE1-CD2 2.92Å; H222-H226 VanDerWaalsContact CE1-CD2 3.46Å; H222-H226 AromaticContact CE1-NE2 3.21Å; H222-H226 PolarHBondContact CE1-NE2 3.19Å; H222-H226 AromaticContact NE2-CD2 3.43Å; H222-H226 PolarHBondContact NE2-CD2 3.37Å; H222-H226 AromaticContact NE2-NE2 3.42Å; H222-H226 PolarHBondContact NE2-NE2 2.84Å; H222-H226 PolarHBondContact O-N 2.8Å; H222-H226 VanDerWaalsContact O-N 3.15Å; R224-H226 VanDerWaalsContact C-N 3.31Å; R224-H226 PolarHBondContact O-N 2.88Å; H226-I228 PolarHBondContact O-N 2.64Å; H226-S229 PolarHBondContact O-N 2.98Å; H226-S229 PolarHBondContact O-OG 2.95Å; H226-T230 PolarHBondContact O-N 2.93Å; H226-T230 VanDerWaalsContact O-N 3.11Å; H226-T230 PolarHBondContact O-OG1 2.96Å; H226-S396 PolarHBondContact NE2-OG 3.42Å; H226-E398 HydrophobicContact CB-CG 3.93Å; H226-E398 VanDerWaalsContact CB-OE1 3.25Å; H226-E398 WeakPolarHBondContact CB-OE1 3.46Å; H226-E398 IonicContact CG-OE1 2.83Å; H226-E398 VanDerWaalsContact ND1-CG 3.32Å; H226-E398 WeakPolarHBondContact ND1-CG 3.44Å; H226-E398 IonicContact ND1-OE1 2.97Å
227	R	59.1	Low	56.5	Low	167 Å²	167	83.1 Å²	83.1	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-43.2	177.4	-72.1	172.3	-169.7	-178.4	4.3	114.3	N223 R224 T230 V231	N223-R227 WeakPolarHBondContact O-CB 3.23Å; N223-R227 WeakPolarHBondContact O-CG 3.46Å; N223-R227 PolarHBondContact O-N 3Å; R224-R227 PolarHBondContact O-N 2.8Å; R227-T230 PolarHBondContact O-N 3.23Å; R227-V231 VanDerWaalsContact O-CG2 3.31Å; R227-V231 WeakPolarHBondContact O-CG2 3.38Å; R227-V231 PolarHBondContact O-N 3.14Å
228	I	60.1	Low	55.9	Low	101 Å²	101	84.5 Å²	84.5	52%	0.518	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-48.2	-179.7	-69.5	163.3	0	0	0	109.6	R224 H226 T230 V231 D232	R224-I228 HydrophobicContact CB-CD1 4.49Å; R224-I228 WeakPolarHBondContact O-CB 3.26Å; R224-I228 VanDerWaalsContact O-CG1 3.23Å; R224-I228 WeakPolarHBondContact O-CG1 3.44Å; R224-I228 PolarHBondContact O-N 3.03Å; H226-I228 PolarHBondContact O-N 2.64Å; I228-T230 VanDerWaalsContact C-N 3.25Å; I228-T230 PolarHBondContact O-N 2.74Å; I228-V231 PolarHBondContact O-N 2.86Å; I228-D232 PolarHBondContact O-N 2.62Å
229	S	59.1	Low	55.2	Low	22 Å²	22	85.9 Å²	85.9	15%	0.154	43%	0.433	C	S	.	.	H	α-helix	trans	-60.3	-35.7	177.9	71.6	0	0	0	0	112.8	N206 A225 H226 R233	N206-S229 PolarHBondContact ND2-OG 2.79Å; A225-S229 PolarHBondContact O-N 2.98Å; A225-S229 VanDerWaalsContact O-N 3.16Å; A225-S229 PolarHBondContact O-OG 3.47Å; H226-S229 PolarHBondContact O-N 2.98Å; H226-S229 PolarHBondContact O-OG 2.95Å; S229-R233 WeakPolarHBondContact O-CB 3.41Å; S229-R233 PolarHBondContact O-N 3.1Å
230	T	56.6	Low	54.6	Low	39 Å²	39	90.2 Å²	90.2	24%	0.239	46%	0.456	C	S	.	.	H	α-helix	trans	-70.1	-41.2	177.1	-58.2	0	0	0	0	112	N206 H226 R227 I228 R233 Q234 E398	N206-T230 PolarHBondContact ND2-OG1 3.28Å; H226-T230 PolarHBondContact O-N 2.93Å; H226-T230 VanDerWaalsContact O-N 3.11Å; H226-T230 PolarHBondContact O-OG1 2.96Å; R227-T230 PolarHBondContact O-N 3.23Å; I228-T230 VanDerWaalsContact C-N 3.25Å; I228-T230 PolarHBondContact O-N 2.74Å; T230-R233 PolarHBondContact O-N 3.19Å; T230-Q234 WeakPolarHBondContact O-CG 3.37Å; T230-Q234 PolarHBondContact O-N 2.87Å; T230-E398 PolarHBondContact OG1-OE1 2.94Å
231	V	56.4	Low	54.1	Low	66 Å²	66	89.5 Å²	89.5	40%	0.4	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-44.1	178.9	175	0	0	0	0	111.6	R227 I228 R233 Q234 Q235	R227-V231 VanDerWaalsContact O-CG2 3.31Å; R227-V231 WeakPolarHBondContact O-CG2 3.38Å; R227-V231 PolarHBondContact O-N 3.14Å; I228-V231 PolarHBondContact O-N 2.86Å; V231-R233 PolarHBondContact O-N 2.96Å; V231-Q234 PolarHBondContact O-N 3.42Å; V231-Q234 VanDerWaalsContact O-N 3.17Å; V231-Q235 HydrophobicContact CG1-CG 4.39Å; V231-Q235 WeakPolarHBondContact O-CG 3.37Å; V231-Q235 PolarHBondContact O-N 2.88Å
232	D	54.3	Low	53.4	Low	83 Å²	83	90.1 Å²	90.1	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-58.7	-36.2	176.7	-81.5	-17.5	0	0	0	111.6	I228 R236	I228-D232 PolarHBondContact O-N 2.62Å; D232-R236 WeakPolarHBondContact O-CG 3.46Å; D232-R236 PolarHBondContact O-N 3.05Å; D232-R236 VanDerWaalsContact O-N 3.14Å
233	R	51.8	Low	52.7	Low	123 Å²	123	92 Å²	92	46%	0.464	48%	0.483	S	S	.	.	H	α-helix	trans	-75.1	-39.5	176.6	-164.3	178.1	174.1	-157.3	-1.8	112.6	S229 T230 V231 Q235 R236 A237	S229-R233 WeakPolarHBondContact O-CB 3.41Å; S229-R233 PolarHBondContact O-N 3.1Å; T230-R233 PolarHBondContact O-N 3.19Å; V231-R233 PolarHBondContact O-N 2.96Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.22Å; R233-R236 PolarHBondContact O-N 3.42Å; R233-A237 VanDerWaalsContact O-CB 3.29Å; R233-A237 WeakPolarHBondContact O-CB 3.45Å; R233-A237 PolarHBondContact O-N 2.99Å
234	Q	52.8	Low	52.4	Low	127 Å²	127	96 Å²	96	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-66.1	-29.9	175	-76.9	178	-6.7	0	0	112.7	T230 V231	T230-Q234 WeakPolarHBondContact O-CG 3.37Å; T230-Q234 PolarHBondContact O-N 2.87Å; V231-Q234 PolarHBondContact O-N 3.42Å; V231-Q234 VanDerWaalsContact O-N 3.17Å
235	Q	50.9	Low	52.1	Low	149 Å²	149	93.8 Å²	93.8	70%	0.696	51%	0.505	S	S	*	.	H	α-helix	trans	-76.3	-34.1	173.8	-71.6	-178.2	5.6	0	0	112.7	V231 R233	V231-Q235 HydrophobicContact CG1-CG 4.39Å; V231-Q235 WeakPolarHBondContact O-CG 3.37Å; V231-Q235 PolarHBondContact O-N 2.88Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.22Å
236	R	50.6	Low	52.8	Low	224 Å²	224	100.8 Å²	100.8	85%	0.845	53%	0.531	S	S	*	.	H	α-helix	trans	-80	-33.8	176	-72.4	-178.1	-174.6	-170.9	3.7	113.7	D232 R233	D232-R236 WeakPolarHBondContact O-CG 3.46Å; D232-R236 PolarHBondContact O-N 3.05Å; D232-R236 VanDerWaalsContact O-N 3.14Å; R233-R236 PolarHBondContact O-N 3.42Å
237	A	48	Very low	53.9	Low	34 Å²	34	103.9 Å²	103.9	28%	0.281	55%	0.552	S	S	.	*	S	Bend	trans	-100.8	83.3	176.1	0	0	0	0	0	108.6	R233 A239	R233-A237 VanDerWaalsContact O-CB 3.29Å; R233-A237 WeakPolarHBondContact O-CB 3.45Å; R233-A237 PolarHBondContact O-N 2.99Å; A237-A239 PolarHBondContact O-N 3.09Å; A237-A239 VanDerWaalsContact O-N 3.14Å
238	G	38.8	Very low	55.4	Low	71 Å²	71	98.4 Å²	98.4	73%	0.732	54%	0.539	S	S	*	.			trans	-51.2	122.2	170.6	0	0	0	0	0	110.3
239	A	41.8	Very low	56.9	Low	86 Å²	86	97.3 Å²	97.3	71%	0.711	53%	0.534	S	S	*	.	S	Bend	trans	75.1	144.7	-176.6	0	0	0	0	0	116.9	A237 H241	A237-A239 PolarHBondContact O-N 3.09Å; A237-A239 VanDerWaalsContact O-N 3.14Å; A239-H241 PolarHBondContact O-N 3.17Å
240	L	44.4	Very low	58.5	Low	158 Å²	158	96.3 Å²	96.3	83%	0.827	53%	0.527	S	S	*	.			trans	-49.2	94.6	172.2	-80.2	140.8	0	0	0	110.3
241	H	43.5	Very low	60.1	Low	115 Å²	115	97.5 Å²	97.5	53%	0.532	54%	0.535	S	S	.	.			trans	-59.9	132.4	-177.3	-150.6	-66.4	0	0	0	109.5	A239 A243 Y244	A239-H241 PolarHBondContact O-N 3.17Å; H241-A243 PolarHBondContact O-N 2.98Å; H241-Y244 WeakPolarHBondContact O-CD2 3.47Å; H241-Y244 WeakPolarHBondContact O-CE2 3.48Å
242	P	44.1	Very low	61.9	Low	110 Å²	110	94.9 Å²	94.9	71%	0.714	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-70.6	20.9	-179.7	27.9	-34.6	0	0	0	114.1	Y244	P242-Y244 VanDerWaalsContact C-N 3.26Å; P242-Y244 PolarHBondContact O-N 2.98Å
243	A	46.6	Very low	63.8	Low	58 Å²	58	91.5 Å²	91.5	48%	0.479	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-77	-3.2	-174.2	0	0	0	0	0	114.5	H241 S245	H241-A243 PolarHBondContact O-N 2.98Å; A243-S245 PolarHBondContact O-N 2.97Å; A243-S245 VanDerWaalsContact O-N 3.15Å
244	Y	53.3	Low	66	Low	106 Å²	106	85.7 Å²	85.7	42%	0.416	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-78	8.7	-171.6	-61.4	-76.9	0	0	0	115.7	H241 P242	H241-Y244 WeakPolarHBondContact O-CD2 3.47Å; H241-Y244 WeakPolarHBondContact O-CE2 3.48Å; P242-Y244 VanDerWaalsContact C-N 3.26Å; P242-Y244 PolarHBondContact O-N 2.98Å
245	S	57.4	Low	68.2	Low	99 Å²	99	79.6 Å²	79.6	69%	0.692	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-111.4	-6.1	-176	43.1	0	0	0	0	115	A243	A243-S245 PolarHBondContact O-N 2.97Å; A243-S245 VanDerWaalsContact O-N 3.15Å
246	K	74.8	Confident	70.4	Confident	170 Å²	170	73.1 Å²	73.1	74%	0.739	42%	0.42	S	S	*	.	S	Bend	trans	-114.4	137.7	175.2	-73.2	-172.8	178.9	-179	0	111.5	S248	K246-S248 PolarHBondContact O-N 2.86Å
247	P	87.1	Confident	72.7	Confident	74 Å²	74	63.3 Å²	63.3	48%	0.481	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-54.3	123.6	171.2	-19.4	24.6	0	0	0	112.6	H199 E201	H199-P247 HydrophobicContact CB-CB 4.05Å; E201-P247 WeakPolarHBondContact OE2-CD 3.34Å; E201-P247 VanDerWaalsContact OE2-CG 3.28Å; E201-P247 WeakPolarHBondContact OE2-CG 3.36Å
248	S	89.9	Confident	75	Confident	52 Å²	52	61.7 Å²	61.7	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.8	174	179.7	0	0	0	0	109.8	H199 L200 K246 L250	H199-S248 CarbonylContact C-O 3.5Å; H199-S248 VanDerWaalsContact CA-O 3.29Å; H199-S248 WeakPolarHBondContact CA-O 3.47Å; L200-S248 PolarHBondContact N-O 2.84Å; L200-S248 PolarHBondContact O-N 2.89Å; K246-S248 PolarHBondContact O-N 2.86Å; S248-L250 PolarHBondContact O-N 3.04Å
249	L	93.3	Very high	77.8	Confident	77 Å²	77	60.3 Å²	60.3	40%	0.403	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.9	171.7	177.3	59.6	0	0	0	109.7	R197 L198	R197-L249 HydrophobicContact CG-CD1 3.58Å; L198-L249 WeakPolarHBondContact O-CD1 3.46Å
250	L	92.5	Very high	80.5	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72.5	150.4	177.1	-65.3	-171.6	0	0	0	111.8	L198 L200 P207 S248 V252 R253 M389 F397	L198-L250 HydrophobicContact CB-CB 4.27Å; L198-L250 HydrophobicContact CB-CD1 3.89Å; L198-L250 HydrophobicContact CB-CG 4.18Å; L198-L250 HydrophobicContact CD1-CD1 4.11Å; L198-L250 PolarHBondContact O-N 3.47Å; L200-L250 HydrophobicContact CB-CD2 4.5Å; L200-L250 HydrophobicContact CD1-CD1 3.96Å; L200-L250 HydrophobicContact CD1-CD2 3.88Å; L200-L250 HydrophobicContact CD1-CG 4.32Å; L200-L250 HydrophobicContact CG-CD1 3.99Å; L200-L250 HydrophobicContact CG-CD2 4.05Å; L200-L250 HydrophobicContact CG-CG 4.14Å; P207-L250 HydrophobicContact CB-CD2 4.26Å; S248-L250 PolarHBondContact O-N 3.04Å; L250-V252 PolarHBondContact O-N 3.08Å; L250-R253 PolarHBondContact O-NH1 3.28Å; L250-M389 HydrophobicContact CD1-CE 3.47Å; L250-M389 VanDerWaalsContact CD1-CE 3.47Å; L250-F397 HydrophobicContact CD1-CD1 4.08Å; L250-F397 HydrophobicContact CD1-CD2 3.9Å; L250-F397 HydrophobicContact CD1-CE1 4.01Å; L250-F397 HydrophobicContact CD1-CE2 3.84Å; L250-F397 HydrophobicContact CD1-CG 4.03Å; L250-F397 HydrophobicContact CD1-CZ 3.9Å; L250-F397 HydrophobicContact CD2-CD1 4.22Å; L250-F397 HydrophobicContact CD2-CE1 4.05Å
251	P	89.9	Confident	83	Confident	63 Å²	63	49 Å²	49	41%	0.409	27%	0.273	S	S	.	.	S	Bend	trans	-78.1	4.8	-177.4	33.1	-36.8	0	0	0	113.7
252	V	93	Very high	85.4	Confident	12 Å²	12	44.6 Å²	44.6	7%	0.073	25%	0.253	C	S	.	.			trans	-122.9	160	-178.9	-61.7	0	0	0	0	111.8	S143 L250 V391 F397	S143-V252 WeakPolarHBondContact O-CA 3.33Å; L250-V252 PolarHBondContact O-N 3.08Å; V252-V391 HydrophobicContact CG2-CG1 4.34Å; V252-V391 HydrophobicContact CG2-CG2 4.37Å; V252-F397 HydrophobicContact CG2-CE2 3.81Å; V252-F397 HydrophobicContact CG2-CZ 3.72Å
253	R	95.9	Very high	87.6	Confident	12 Å²	12	41.1 Å²	41.1	5%	0.045	23%	0.231	C	C	.	.			trans	-127.1	138.2	172.3	-61	-64.1	177.3	-87.2	-8.1	109.8	S143 L146 R195 L250 D413	S143-R253 WeakPolarHBondContact CA-O 3.47Å; S143-R253 PolarHBondContact O-N 3.33Å; L146-R253 HydrophobicContact CD2-CG 4.03Å; R195-R253 HydrophobicContact CB-CB 3.94Å; L250-R253 PolarHBondContact O-NH1 3.28Å; R253-D413 HydrophobicContact CG-CB 4.34Å; R253-D413 IonicContact CZ-OD1 3.65Å; R253-D413 IonicContact NE-OD1 3.81Å; R253-D413 PolarHBondContact NE-OD1 2.83Å; R253-D413 IonicContact NE-OD2 2.89Å; R253-D413 IonicContact NH2-OD1 3.07Å; R253-D413 PolarHBondContact NH2-OD1 3.16Å
254	S	97.6	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-84.8	124	175.1	177.3	0	0	0	0	109.9	R195 L196 E257 D392	R195-S254 CarbonylContact C-O 3.51Å; R195-S254 WeakPolarHBondContact CA-O 3.29Å; R195-S254 WeakPolarHBondContact CB-O 3.37Å; L196-S254 PolarHBondContact N-O 2.87Å; L196-S254 PolarHBondContact O-N 3.41Å; S254-E257 WeakPolarHBondContact OG-CA 3.38Å; S254-E257 PolarHBondContact OG-N 3.39Å; S254-E257 VanDerWaalsContact OG-N 3.1Å; S254-E257 PolarHBondContact OG-O 3.1Å; S254-E257 VanDerWaalsContact OG-O 3.05Å; S254-D392 WeakPolarHBondContact CA-OD2 3.06Å; S254-D392 WeakPolarHBondContact CB-OD1 3.42Å; S254-D392 PolarHBondContact OG-OD1 2.95Å
255	L	98.1	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-81.5	-37.1	169.6	-178.8	60.9	0	0	0	112	M138 L139 A142 L166 R193 R195 T292 T294 D392 L415	M138-L255 HydrophobicContact CG-CD2 4.47Å; L139-L255 HydrophobicContact CD2-CB 3.85Å; L139-L255 HydrophobicContact CD2-CD2 4.08Å; L139-L255 HydrophobicContact CD2-CG 4.22Å; A142-L255 HydrophobicContact CB-CB 3.97Å; A142-L255 HydrophobicContact CB-CD2 3.81Å; A142-L255 HydrophobicContact CB-CG 4.43Å; L166-L255 HydrophobicContact CD1-CD2 4.05Å; R193-L255 HydrophobicContact CB-CD1 3.77Å; R195-L255 HydrophobicContact CG-CB 4.48Å; R195-L255 HydrophobicContact CG-CD1 4.01Å; L255-T292 WeakPolarHBondContact O-CG2 3.47Å; L255-T292 PolarHBondContact O-OG1 3.27Å; L255-T294 HydrophobicContact CD1-CG2 4.22Å; L255-T294 HydrophobicContact CD2-CG2 4.41Å; L255-T294 HydrophobicContact CG-CG2 4Å; L255-D392 PolarHBondContact N-OD1 3.09Å; L255-D392 PolarHBondContact N-OD2 2.71Å; L255-L415 HydrophobicContact CD1-CD2 4.19Å; L255-L415 HydrophobicContact CD2-CD2 4.03Å
256	N	97.9	Very high	92.5	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	25%	0.245	C	C	.	.	S	Bend	trans	-100.6	-80.3	-177.3	-83.8	1.4	0	0	0	111.5	L139 C291 T292 T294 D392	L139-N256 HydrophobicContact CD2-CB 4.08Å; N256-C291 CarbonylContact O-C 3.55Å; N256-C291 VanDerWaalsContact O-CA 3.23Å; N256-C291 WeakPolarHBondContact O-CA 3.49Å; N256-C291 WeakPolarHBondContact O-CB 3.32Å; N256-T292 PolarHBondContact O-N 2.65Å; N256-T294 WeakPolarHBondContact OD1-CG2 3.48Å; N256-D392 PolarHBondContact N-OD1 2.63Å
257	E	97.9	Very high	93.2	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.3	-176.7	62.9	-87.1	157.5	0	0	113.1	S254 V290 C291 W299 D392	S254-E257 WeakPolarHBondContact OG-CA 3.38Å; S254-E257 PolarHBondContact OG-N 3.39Å; S254-E257 VanDerWaalsContact OG-N 3.1Å; S254-E257 PolarHBondContact OG-O 3.1Å; S254-E257 VanDerWaalsContact OG-O 3.05Å; E257-V290 CarbonylContact C-O 3.6Å; E257-V290 WeakPolarHBondContact CA-O 3.3Å; E257-V290 VanDerWaalsContact CB-O 3.27Å; E257-V290 WeakPolarHBondContact CB-O 3.3Å; E257-C291 HydrophobicContact CB-CB 3.67Å; E257-W299 HydrophobicContact CG-CE3 4.21Å; E257-D392 PolarHBondContact N-OD1 2.89Å; E257-D392 PolarHBondContact O-N 2.83Å
258	I	97.7	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	150	158.3	65.9	165.9	0	0	0	110.2	L196 L198 I260 S289 V290 M389 V390 V391 V407	L196-I258 HydrophobicContact CD1-CG1 4.23Å; L196-I258 HydrophobicContact CD1-CG2 4.17Å; L198-I258 HydrophobicContact CD1-CG2 3.93Å; L198-I258 HydrophobicContact CD2-CD1 3.76Å; L198-I258 HydrophobicContact CD2-CG2 3.93Å; L198-I258 HydrophobicContact CG-CG2 4.49Å; I258-I260 HydrophobicContact CD1-CD1 4.12Å; I258-I260 HydrophobicContact CD1-CG1 4.39Å; I258-S289 WeakPolarHBondContact O-CA 3.47Å; I258-V290 HydrophobicContact CD1-CB 4.31Å; I258-V290 HydrophobicContact CD1-CG2 4.45Å; I258-V290 HydrophobicContact CG1-CB 3.82Å; I258-V290 HydrophobicContact CG1-CG2 4.32Å; I258-V290 PolarHBondContact N-O 3.03Å; I258-V290 PolarHBondContact O-N 3.28Å; I258-M389 HydrophobicContact CD1-SD 4.15Å; I258-V390 CarbonylContact C-O 3.55Å; I258-V390 VanDerWaalsContact CA-O 3.23Å; I258-V390 WeakPolarHBondContact CA-O 3.38Å; I258-V391 HydrophobicContact CG2-CG2 4.02Å; I258-V407 HydrophobicContact CD1-CB 4.34Å; I258-V407 HydrophobicContact CD1-CG1 3.98Å; I258-V407 HydrophobicContact CD1-CG2 3.4Å
259	F	97.9	Very high	93.9	Very high	42 Å²	42	34.6 Å²	34.6	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135	168.7	-174.1	-111.2	0	0	0	110.2	S286 L288 W299 M389 V390	F259-S286 WeakPolarHBondContact CZ-O 3.2Å; F259-L288 CarbonylContact C-O 3.52Å; F259-L288 WeakPolarHBondContact CA-O 3.07Å; F259-L288 WeakPolarHBondContact CD2-O 3.22Å; F259-W299 HydrophobicContact CB-CH2 4.37Å; F259-W299 HydrophobicContact CB-CZ3 3.82Å; F259-W299 HydrophobicContact CD1-CH2 4.42Å; F259-W299 AromaticContact CD2-CH2 3.38Å; F259-W299 HydrophobicContact CD2-CH2 3.38Å; F259-W299 AromaticContact CD2-CZ3 3.47Å; F259-W299 HydrophobicContact CD2-CZ3 3.47Å; F259-W299 VanDerWaalsContact CD2-CZ3 3.47Å; F259-W299 AromaticContact CE2-CH2 3.68Å; F259-W299 HydrophobicContact CE2-CH2 3.68Å; F259-W299 HydrophobicContact CE2-CZ3 4.23Å; F259-W299 AromaticContact CG-CH2 3.79Å; F259-W299 HydrophobicContact CG-CH2 3.79Å; F259-W299 AromaticContact CG-CZ3 3.73Å; F259-W299 HydrophobicContact CG-CZ3 3.73Å; F259-W299 HydrophobicContact CZ-CH2 4.31Å; F259-M389 CarbonylContact O-C 3.52Å; F259-M389 VanDerWaalsContact O-CA 3.28Å; F259-M389 WeakPolarHBondContact O-CA 3.16Å; F259-V390 PolarHBondContact N-O 3.14Å; F259-V390 PolarHBondContact O-N 3.35Å
260	I	97.4	Very high	94.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	176.1	-57.2	178.9	0	0	0	108.6	I258 G287 L288 V380 C388 M389 F399 A405	I258-I260 HydrophobicContact CD1-CD1 4.12Å; I258-I260 HydrophobicContact CD1-CG1 4.39Å; I260-G287 CarbonylContact O-C 3.55Å; I260-G287 VanDerWaalsContact O-CA 3.24Å; I260-G287 WeakPolarHBondContact O-CA 3.4Å; I260-L288 PolarHBondContact N-O 3.01Å; I260-L288 PolarHBondContact O-N 2.92Å; I260-V380 HydrophobicContact CD1-CB 4.26Å; I260-V380 HydrophobicContact CD1-CG1 4.47Å; I260-V380 HydrophobicContact CD1-CG2 4.09Å; I260-C388 WeakPolarHBondContact CA-O 3.27Å; I260-M389 HydrophobicContact CD1-CG 4.3Å; I260-M389 HydrophobicContact CD1-SD 4.12Å; I260-M389 HydrophobicContact CG1-CB 4.09Å; I260-M389 HydrophobicContact CG1-CG 3.81Å; I260-M389 HydrophobicContact CG1-SD 4.3Å; I260-F399 HydrophobicContact CD1-CE1 4.38Å; I260-F399 HydrophobicContact CG2-CD1 3.31Å; I260-F399 HydrophobicContact CG2-CE1 3.54Å; I260-F399 HydrophobicContact CG2-CG 4.22Å; I260-A405 HydrophobicContact CD1-CB 4.19Å
261	G	96.8	Very high	94.3	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	173.3	176	0	0	0	0	0	113.4	S269 A387 C388	G261-S269 VanDerWaalsContact CA-OG 3.23Å; G261-S269 WeakPolarHBondContact CA-OG 3.28Å; G261-A387 CarbonylContact O-C 3.56Å; G261-A387 WeakPolarHBondContact O-CA 3.23Å; G261-A387 WeakPolarHBondContact O-CB 3.21Å; G261-C388 PolarHBondContact N-O 3.1Å; G261-C388 PolarHBondContact O-N 3.3Å
262	E	94.4	Very high	94.6	Very high	22 Å²	22	32.1 Å²	32.1	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	138.5	170.8	-69.4	-83.2	179.2	0	0	110.8	L264 R267 S269 C384 W385 D386	E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.85Å; E262-R267 HydrophobicContact CB-CB 4.17Å; E262-R267 HydrophobicContact CB-CG 4.44Å; E262-R267 HydrophobicContact CG-CB 4.3Å; E262-R267 HydrophobicContact CG-CG 4.02Å; E262-R267 WeakPolarHBondContact OE2-CD 3.33Å; E262-R267 IonicContact OE2-CZ 3.09Å; E262-R267 IonicContact OE2-NE 3.08Å; E262-R267 IonicContact OE2-NH1 3.44Å; E262-R267 PolarHBondContact OE2-NH1 3.06Å; E262-S269 PolarHBondContact N-OG 3.36Å; E262-C384 HydrophobicContact CG-CB 4.17Å; E262-C384 VanDerWaalsContact OE1-CA 3.26Å; E262-C384 WeakPolarHBondContact OE1-CA 3.31Å; E262-C384 VanDerWaalsContact OE1-CB 3.22Å; E262-C384 WeakPolarHBondContact OE1-CB 3.4Å; E262-W385 PolarHBondContact OE1-N 3.46Å; E262-D386 PolarHBondContact OE2-N 2.92Å; E262-D386 VanDerWaalsContact OE2-N 3.13Å
263	S	89.3	Confident	94.8	Very high	37 Å²	37	31.9 Å²	31.9	26%	0.259	18%	0.179	S	C	.	.	S	Bend	trans	-69.9	-27.8	-178.2	-61	0	0	0	0	112.8	D386 C388	S263-D386 WeakPolarHBondContact CB-O 3.24Å; S263-D386 PolarHBondContact N-O 3.17Å; S263-D386 PolarHBondContact OG-O 3.32Å; S263-D386 VanDerWaalsContact OG-O 3.1Å; S263-C388 PolarHBondContact OG-SG 3.39Å
264	L	86.6	Confident	94.8	Very high	65 Å²	65	31.6 Å²	31.6	34%	0.34	18%	0.179	S	C	.	.	S	Bend	trans	-89.1	113.4	172.4	-174.4	69.4	0	0	0	109.7	L219 E262 S266 R267	L219-L264 HydrophobicContact CD2-CB 4.41Å; L219-L264 HydrophobicContact CD2-CD1 3.9Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.85Å; L264-S266 WeakPolarHBondContact CD2-OG 3.43Å; L264-S266 WeakPolarHBondContact CG-OG 3.32Å; L264-S266 PolarHBondContact O-N 3.08Å; L264-R267 HydrophobicContact CB-CB 4.46Å; L264-R267 WeakPolarHBondContact O-CB 3.5Å; L264-R267 PolarHBondContact O-N 2.84Å
265	S	86	Confident	94.8	Very high	121 Å²	121	33.5 Å²	33.5	85%	0.846	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.9	-174.7	57.7	0	0	0	0	115.3	R267	S265-R267 VanDerWaalsContact C-N 3.33Å
266	S	87.8	Confident	94.7	Very high	99 Å²	99	37.3 Å²	37.3	69%	0.692	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.8	176.8	59.9	0	0	0	0	114	L264	L264-S266 WeakPolarHBondContact CD2-OG 3.43Å; L264-S266 WeakPolarHBondContact CG-OG 3.32Å; L264-S266 PolarHBondContact O-N 3.08Å
267	R	91.1	Very high	94.6	Very high	100 Å²	100	39.8 Å²	39.8	38%	0.377	24%	0.24	S	C	.	.	S	Bend	trans	-100.2	122.1	177.6	-169.7	-175	-71.2	159.3	2.1	110.1	E262 L264 S265 S269	E262-R267 HydrophobicContact CB-CB 4.17Å; E262-R267 HydrophobicContact CB-CG 4.44Å; E262-R267 HydrophobicContact CG-CB 4.3Å; E262-R267 HydrophobicContact CG-CG 4.02Å; E262-R267 WeakPolarHBondContact OE2-CD 3.33Å; E262-R267 IonicContact OE2-CZ 3.09Å; E262-R267 IonicContact OE2-NE 3.08Å; E262-R267 IonicContact OE2-NH1 3.44Å; E262-R267 PolarHBondContact OE2-NH1 3.06Å; L264-R267 HydrophobicContact CB-CB 4.46Å; L264-R267 WeakPolarHBondContact O-CB 3.5Å; L264-R267 PolarHBondContact O-N 2.84Å; S265-R267 VanDerWaalsContact C-N 3.33Å; R267-S269 PolarHBondContact O-N 3.27Å
268	A	94.4	Very high	94.5	Very high	37 Å²	37	40.3 Å²	40.3	31%	0.306	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-67.9	128.4	175.1	0	0	0	0	0	110.9	K284 S285 I361	A268-K284 HydrophobicContact CB-CD 4.49Å; A268-K284 HydrophobicContact CB-CG 4.14Å; A268-S285 CarbonylContact C-O 3.51Å; A268-I361 HydrophobicContact CB-CD1 4.12Å
269	S	96.9	Very high	94.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.3	176.9	-56.8	0	0	0	0	110.1	G261 E262 R267 K284 S285	G261-S269 VanDerWaalsContact CA-OG 3.23Å; G261-S269 WeakPolarHBondContact CA-OG 3.28Å; E262-S269 PolarHBondContact N-OG 3.36Å; R267-S269 PolarHBondContact O-N 3.27Å; S269-K284 VanDerWaalsContact O-CA 3.29Å; S269-K284 WeakPolarHBondContact O-CA 3.45Å; S269-S285 PolarHBondContact N-O 3.42Å; S269-S285 PolarHBondContact O-N 3.4Å
270	Y	96.4	Very high	94.2	Very high	68 Å²	68	48.2 Å²	48.2	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.7	171.7	178.4	-150.6	0	0	0	109.4	K282 Q283 F366 R383 C384	Y270-K282 HydrophobicContact CE2-CB 4.22Å; Y270-K282 HydrophobicContact CE2-CG 4.31Å; Y270-Q283 WeakPolarHBondContact CD2-O 3.47Å; Y270-F366 AromaticContact CD2-CE1 3.78Å; Y270-F366 HydrophobicContact CD2-CE1 3.78Å; Y270-F366 HydrophobicContact CD2-CZ 4.35Å; Y270-F366 AromaticContact CE2-CE1 3.6Å; Y270-F366 HydrophobicContact CE2-CE1 3.6Å; Y270-F366 HydrophobicContact CE2-CZ 4.32Å; Y270-R383 HydrophobicContact CD1-CB 3.33Å; Y270-R383 HydrophobicContact CD1-CG 3.99Å; Y270-R383 HydrophobicContact CD2-CB 4.25Å; Y270-R383 HydrophobicContact CD2-CG 4.43Å; Y270-R383 HydrophobicContact CE1-CB 3.69Å; Y270-R383 HydrophobicContact CE1-CG 3.85Å; Y270-R383 HydrophobicContact CE2-CG 4.28Å; Y270-R383 HydrophobicContact CG-CB 3.64Å; Y270-R383 HydrophobicContact CG-CG 4.27Å; Y270-R383 CarbonylContact O-C 3.24Å; Y270-R383 VanDerWaalsContact O-C 3.24Å; Y270-R383 VanDerWaalsContact O-CA 3.25Å; Y270-R383 WeakPolarHBondContact O-CA 3.41Å; Y270-R383 VanDerWaalsContact O-CB 3.27Å; Y270-R383 WeakPolarHBondContact O-CB 3.32Å; Y270-R383 PolarHBondContact O-N 3.21Å; Y270-C384 PolarHBondContact N-SG 3.01Å; Y270-C384 VanDerWaalsContact N-SG 3.4Å; Y270-C384 PolarHBondContact O-N 3.33Å; Y270-C384 PolarHBondContact O-SG 3.49Å
271	Y	96.8	Very high	94.1	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	169.8	178.8	55.9	-89.6	0	0	0	110.9	I273 Q283 S285 G287 L288 V357 V380 R381	Y271-I273 HydrophobicContact CD2-CB 4.28Å; Y271-I273 HydrophobicContact CE2-CB 4.17Å; Y271-Q283 HydrophobicContact CD2-CB 3.9Å; Y271-Q283 HydrophobicContact CE1-CB 4.29Å; Y271-Q283 HydrophobicContact CE2-CB 3.48Å; Y271-Q283 VanDerWaalsContact CE2-CB 3.48Å; Y271-Q283 HydrophobicContact CE2-CG 3.96Å; Y271-Q283 HydrophobicContact CG-CB 4.45Å; Y271-Q283 PolarHBondContact N-O 2.95Å; Y271-Q283 PolarHBondContact O-N 3.22Å; Y271-Q283 VanDerWaalsContact O-O 3.09Å; Y271-S285 VanDerWaalsContact CE1-OG 3.24Å; Y271-S285 WeakPolarHBondContact CE1-OG 3.17Å; Y271-S285 PolarHBondContact OH-OG 3.14Å; Y271-G287 PolarHBondContact OH-O 3.35Å; Y271-L288 HydrophobicContact CE2-CB 4.37Å; Y271-V357 WeakPolarHBondContact OH-CG1 3.39Å; Y271-V380 HydrophobicContact CD2-CG1 3.87Å; Y271-V380 HydrophobicContact CG-CG1 4.16Å; Y271-R381 CarbonylContact C-O 3.56Å; Y271-R381 VanDerWaalsContact CA-O 3.26Å; Y271-R381 WeakPolarHBondContact CA-O 3.23Å; Y271-R381 VanDerWaalsContact CB-O 3.27Å; Y271-R381 WeakPolarHBondContact CB-O 3.39Å
272	E	96.5	Very high	94	Very high	19 Å²	19	55.6 Å²	55.6	9%	0.089	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139	166	-62.7	161.1	-161.2	0	0	108.5	W280 E281 K282 V380 R381 R383	E272-W280 HydrophobicContact CB-CE3 3.78Å; E272-W280 HydrophobicContact CB-CZ3 4.39Å; E272-W280 WeakPolarHBondContact O-CZ3 3.42Å; E272-E281 CarbonylContact C-O 3.57Å; E272-E281 VanDerWaalsContact CA-O 3.22Å; E272-E281 WeakPolarHBondContact CA-O 3.4Å; E272-K282 HydrophobicContact CG-CG 4.03Å; E272-V380 CarbonylContact O-C 3.53Å; E272-V380 WeakPolarHBondContact O-CA 3.23Å; E272-R381 HydrophobicContact CB-CB 4.29Å; E272-R381 PolarHBondContact N-O 3.2Å; E272-R381 PolarHBondContact O-N 2.87Å; E272-R381 IonicContact OE2-CZ 2.77Å; E272-R381 IonicContact OE2-NH1 2.88Å; E272-R381 PolarHBondContact OE2-NH1 3.32Å; E272-R383 IonicContact OE1-CZ 2.96Å; E272-R383 IonicContact OE1-NE 3.87Å; E272-R383 PolarHBondContact OE1-NE 3.07Å; E272-R383 IonicContact OE1-NH2 3.97Å; E272-R383 PolarHBondContact OE1-NH2 2.96Å; E272-R383 IonicContact OE2-NH2 3.94Å
273	I	96.9	Very high	94.1	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.8	178	-170.4	172.9	0	0	0	110.5	Y271 V275 W280 E281 Q283 L288 Y355 V378 C379	Y271-I273 HydrophobicContact CD2-CB 4.28Å; Y271-I273 HydrophobicContact CE2-CB 4.17Å; I273-V275 HydrophobicContact CD1-CG2 4.29Å; I273-V275 HydrophobicContact CG1-CG2 4.28Å; I273-W280 WeakPolarHBondContact O-CA 3.43Å; I273-E281 HydrophobicContact CG2-CB 4.29Å; I273-E281 PolarHBondContact N-O 3.1Å; I273-E281 PolarHBondContact O-N 3.46Å; I273-Q283 HydrophobicContact CG2-CG 3.57Å; I273-L288 HydrophobicContact CD1-CD1 3.74Å; I273-L288 HydrophobicContact CD1-CD2 3.85Å; I273-L288 HydrophobicContact CD1-CG 4.47Å; I273-Y355 HydrophobicContact CD1-CD2 4.22Å; I273-V378 HydrophobicContact CD1-CG1 4.01Å; I273-V378 HydrophobicContact CG1-CG1 4.1Å; I273-C379 CarbonylContact C-O 3.43Å; I273-C379 WeakPolarHBondContact CA-O 3.13Å
274	S	97	Very high	94.4	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.049	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.4	169.1	168.2	0	0	0	0	108.7	G278 C379	S274-G278 PolarHBondContact OG-O 3.1Å; S274-C379 PolarHBondContact N-O 3.45Å; S274-C379 PolarHBondContact O-N 2.91Å
275	V	97.3	Very high	94.8	Very high	39 Å²	39	53.3 Å²	53.3	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.1	-178.1	-177.4	0	0	0	0	108.4	I273 G277 G278 Y355 A375	I273-V275 HydrophobicContact CD1-CG2 4.29Å; I273-V275 HydrophobicContact CG1-CG2 4.28Å; V275-G277 PolarHBondContact O-N 3.45Å; V275-G277 VanDerWaalsContact O-N 3.1Å; V275-G278 PolarHBondContact O-N 3.2Å; V275-Y355 HydrophobicContact CB-CE1 4.47Å; V275-Y355 HydrophobicContact CG1-CD1 4.28Å; V275-Y355 HydrophobicContact CG1-CE1 3.78Å; V275-Y355 HydrophobicContact CG2-CD1 4.31Å; V275-Y355 HydrophobicContact CG2-CE1 3.88Å; V275-Y355 HydrophobicContact CG2-CE2 4.23Å; V275-A375 HydrophobicContact CG1-CB 3.45Å; V275-A375 VanDerWaalsContact CG1-CB 3.45Å
276	D	96.7	Very high	95.3	Very high	81 Å²	81	49.6 Å²	49.6	43%	0.433	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	35.8	179.5	-65.7	-37.3	0	0	0	114.3	G278 A375 S376 K377	D276-G278 PolarHBondContact O-N 3.39Å; D276-A375 WeakPolarHBondContact OD2-CA 3.27Å; D276-A375 WeakPolarHBondContact OD2-CB 3.26Å; D276-S376 WeakPolarHBondContact OD1-CA 3.38Å; D276-S376 WeakPolarHBondContact OD1-CB 3.28Å; D276-S376 PolarHBondContact OD1-N 3.49Å; D276-S376 PolarHBondContact OD1-OG 3.47Å; D276-K377 PolarHBondContact N-O 2.84Å; D276-K377 PolarHBondContact OD1-N 2.8Å
277	G	95.3	Very high	95.7	Very high	65 Å²	65	44.9 Å²	44.9	67%	0.67	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	9.4	-179.3	0	0	0	0	0	114.4	V275	V275-G277 PolarHBondContact O-N 3.45Å; V275-G277 VanDerWaalsContact O-N 3.1Å
278	G	95.4	Very high	96.1	Very high	29 Å²	29	40.1 Å²	40.1	30%	0.299	23%	0.23	S	C	.	.			trans	-64.3	176.6	170.2	0	0	0	0	0	113.2	S274 V275 D276	S274-G278 PolarHBondContact OG-O 3.1Å; V275-G278 PolarHBondContact O-N 3.2Å; D276-G278 PolarHBondContact O-N 3.39Å
279	P	94.7	Very high	96.2	Very high	105 Å²	105	38.4 Å²	38.4	68%	0.682	22%	0.215	S	C	*	.			trans	-59.4	149.7	-179.5	26.7	-34.8	0	0	0	111.8
280	W	95.2	Very high	96.3	Very high	102 Å²	102	38.4 Å²	38.4	39%	0.386	22%	0.215	S	C	.	.			trans	-74.6	125.6	173.5	-71.7	90.5	0	0	0	110.4	E272 I273 C379 R381	E272-W280 HydrophobicContact CB-CE3 3.78Å; E272-W280 HydrophobicContact CB-CZ3 4.39Å; E272-W280 WeakPolarHBondContact O-CZ3 3.42Å; I273-W280 WeakPolarHBondContact O-CA 3.43Å; W280-C379 HydrophobicContact CH2-CB 3.55Å; W280-C379 HydrophobicContact CZ2-CB 3.99Å; W280-C379 HydrophobicContact CZ3-CB 4.24Å; W280-R381 HydrophobicContact CH2-CB 4.26Å; W280-R381 HydrophobicContact CZ3-CB 3.89Å
281	E	94.1	Very high	96.4	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.262	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	177.9	-64.7	-175.4	-171.8	0	0	110.9	E272 I273 Q283 S369	E272-E281 CarbonylContact C-O 3.57Å; E272-E281 VanDerWaalsContact CA-O 3.22Å; E272-E281 WeakPolarHBondContact CA-O 3.4Å; I273-E281 HydrophobicContact CG2-CB 4.29Å; I273-E281 PolarHBondContact N-O 3.1Å; I273-E281 PolarHBondContact O-N 3.46Å; E281-Q283 PolarHBondContact O-N 3.45Å; E281-Q283 PolarHBondContact OE2-NE2 3.36Å; E281-S369 WeakPolarHBondContact OE1-CB 3.49Å; E281-S369 PolarHBondContact OE1-OG 3.45Å; E281-S369 PolarHBondContact OE2-OG 3.29Å
282	K	95.2	Very high	96.5	Very high	106 Å²	106	35 Å²	35	46%	0.461	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.6	172.6	-71.4	177.5	179.5	177.5	0	109.8	Y270 E272 F366	Y270-K282 HydrophobicContact CE2-CB 4.22Å; Y270-K282 HydrophobicContact CE2-CG 4.31Å; E272-K282 HydrophobicContact CG-CG 4.03Å; K282-F366 HydrophobicContact CB-CD1 4.34Å; K282-F366 HydrophobicContact CB-CE1 4.5Å
283	Q	95.8	Very high	96.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	179.2	-67.4	-57	-32.5	0	0	110.9	Y270 Y271 I273 E281 S367	Y270-Q283 WeakPolarHBondContact CD2-O 3.47Å; Y271-Q283 HydrophobicContact CD2-CB 3.9Å; Y271-Q283 HydrophobicContact CE1-CB 4.29Å; Y271-Q283 HydrophobicContact CE2-CB 3.48Å; Y271-Q283 VanDerWaalsContact CE2-CB 3.48Å; Y271-Q283 HydrophobicContact CE2-CG 3.96Å; Y271-Q283 HydrophobicContact CG-CB 4.45Å; Y271-Q283 PolarHBondContact N-O 2.95Å; Y271-Q283 PolarHBondContact O-N 3.22Å; Y271-Q283 VanDerWaalsContact O-O 3.09Å; I273-Q283 HydrophobicContact CG2-CG 3.57Å; E281-Q283 PolarHBondContact O-N 3.45Å; E281-Q283 PolarHBondContact OE2-NE2 3.36Å; Q283-S367 PolarHBondContact NE2-O 2.82Å
284	K	95.9	Very high	96.6	Very high	73 Å²	73	34.3 Å²	34.3	32%	0.317	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.3	167.3	-163	178.9	179.8	170.7	0	108.7	A268 S269 I361 F366	A268-K284 HydrophobicContact CB-CD 4.49Å; A268-K284 HydrophobicContact CB-CG 4.14Å; S269-K284 VanDerWaalsContact O-CA 3.29Å; S269-K284 WeakPolarHBondContact O-CA 3.45Å; K284-I361 HydrophobicContact CB-CB 4.4Å; K284-I361 HydrophobicContact CB-CD1 4.47Å; K284-I361 HydrophobicContact CD-CD1 4.09Å; K284-I361 HydrophobicContact CG-CD1 4Å; K284-I361 WeakPolarHBondContact O-CB 3.45Å; K284-I361 PolarHBondContact O-N 3.29Å; K284-F366 HydrophobicContact CB-CD1 3.73Å; K284-F366 HydrophobicContact CB-CD2 3.93Å; K284-F366 HydrophobicContact CB-CE1 3.81Å; K284-F366 HydrophobicContact CB-CE2 4.01Å; K284-F366 HydrophobicContact CB-CG 3.79Å; K284-F366 HydrophobicContact CB-CZ 3.95Å; K284-F366 HydrophobicContact CD-CD2 4.21Å; K284-F366 HydrophobicContact CD-CE2 3.67Å; K284-F366 HydrophobicContact CD-CZ 3.87Å; K284-F366 HydrophobicContact CG-CE2 4.47Å; K284-F366 HydrophobicContact CG-CZ 4.44Å
285	S	96.2	Very high	96.7	Very high	1 Å²	1	34 Å²	34	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	179.7	-165.9	67.6	0	0	0	0	111.1	A268 S269 Y271 G287 R358	A268-S285 CarbonylContact C-O 3.51Å; S269-S285 PolarHBondContact N-O 3.42Å; S269-S285 PolarHBondContact O-N 3.4Å; Y271-S285 VanDerWaalsContact CE1-OG 3.24Å; Y271-S285 WeakPolarHBondContact CE1-OG 3.17Å; Y271-S285 PolarHBondContact OH-OG 3.14Å; S285-G287 PolarHBondContact O-N 3.18Å; S285-G287 PolarHBondContact OG-N 3.33Å; S285-G287 PolarHBondContact OG-O 3.41Å; S285-R358 VanDerWaalsContact CB-O 3.24Å; S285-R358 WeakPolarHBondContact CB-O 3.3Å
286	S	96.3	Very high	96.7	Very high	42 Å²	42	32.1 Å²	32.1	29%	0.294	19%	0.186	S	C	.	.	S	Bend	trans	-74.9	-5	170.7	-62.1	0	0	0	0	113	F259 R358 E359	F259-S286 WeakPolarHBondContact CZ-O 3.2Å; S286-R358 PolarHBondContact N-O 3.44Å; S286-E359 WeakPolarHBondContact CB-OE2 3.37Å; S286-E359 PolarHBondContact OG-OE2 3.4Å
287	G	96.5	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.2	-174.7	177.1	0	0	0	0	0	112.6	I260 Y271 S285 R358	I260-G287 CarbonylContact O-C 3.55Å; I260-G287 VanDerWaalsContact O-CA 3.24Å; I260-G287 WeakPolarHBondContact O-CA 3.4Å; Y271-G287 PolarHBondContact OH-O 3.35Å; S285-G287 PolarHBondContact O-N 3.18Å; S285-G287 PolarHBondContact OG-N 3.33Å; S285-G287 PolarHBondContact OG-O 3.41Å; G287-R358 PolarHBondContact O-N 3.03Å
288	L	97.8	Very high	96.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.2	178.9	-179.3	72.8	0	0	0	109.9	F259 I260 Y271 I273 V290 Y355 V357 V378 V380	F259-L288 CarbonylContact C-O 3.52Å; F259-L288 WeakPolarHBondContact CA-O 3.07Å; F259-L288 WeakPolarHBondContact CD2-O 3.22Å; I260-L288 PolarHBondContact N-O 3.01Å; I260-L288 PolarHBondContact O-N 2.92Å; Y271-L288 HydrophobicContact CE2-CB 4.37Å; I273-L288 HydrophobicContact CD1-CD1 3.74Å; I273-L288 HydrophobicContact CD1-CD2 3.85Å; I273-L288 HydrophobicContact CD1-CG 4.47Å; L288-V290 HydrophobicContact CD2-CG2 4.06Å; L288-V290 HydrophobicContact CG-CG2 4.14Å; L288-Y355 HydrophobicContact CD1-CD2 4.35Å; L288-V357 HydrophobicContact CD1-CG2 3.9Å; L288-V378 HydrophobicContact CD2-CG1 4.21Å; L288-V380 HydrophobicContact CD2-CG2 3.37Å
289	S	98.2	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.9	167.2	178.1	0	0	0	0	109.8	I258 Y355 S356	I258-S289 WeakPolarHBondContact O-CA 3.47Å; S289-Y355 CarbonylContact O-C 3.55Å; S289-Y355 WeakPolarHBondContact O-CA 3.32Å; S289-S356 PolarHBondContact N-O 3.48Å; S289-S356 PolarHBondContact O-N 3.36Å
290	V	98.6	Very high	96.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124	170.2	-173.8	0	0	0	0	108.2	L196 E257 I258 L288 L353 F354 V378 V407	L196-V290 HydrophobicContact CD1-CB 4.48Å; L196-V290 HydrophobicContact CD1-CG1 4.28Å; L196-V290 WeakPolarHBondContact CD1-O 3.03Å; E257-V290 CarbonylContact C-O 3.6Å; E257-V290 WeakPolarHBondContact CA-O 3.3Å; E257-V290 VanDerWaalsContact CB-O 3.27Å; E257-V290 WeakPolarHBondContact CB-O 3.3Å; I258-V290 HydrophobicContact CD1-CB 4.31Å; I258-V290 HydrophobicContact CD1-CG2 4.45Å; I258-V290 HydrophobicContact CG1-CB 3.82Å; I258-V290 HydrophobicContact CG1-CG2 4.32Å; I258-V290 PolarHBondContact N-O 3.03Å; I258-V290 PolarHBondContact O-N 3.28Å; L288-V290 HydrophobicContact CD2-CG2 4.06Å; L288-V290 HydrophobicContact CG-CG2 4.14Å; V290-L353 HydrophobicContact CG1-CB 4.01Å; V290-L353 HydrophobicContact CG1-CD1 3.85Å; V290-L353 HydrophobicContact CG1-CD2 3.93Å; V290-L353 HydrophobicContact CG1-CG 4.14Å; V290-F354 CarbonylContact C-O 3.52Å; V290-F354 WeakPolarHBondContact CA-O 3.42Å; V290-V378 HydrophobicContact CG2-CG1 4.29Å; V290-V407 HydrophobicContact CG1-CG1 4Å
291	C	98.4	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.7	-174.3	78.5	0	0	0	0	113.8	N256 E257 S300 L353 F354	N256-C291 CarbonylContact O-C 3.55Å; N256-C291 VanDerWaalsContact O-CA 3.23Å; N256-C291 WeakPolarHBondContact O-CA 3.49Å; N256-C291 WeakPolarHBondContact O-CB 3.32Å; E257-C291 HydrophobicContact CB-CB 3.67Å; C291-S300 VanDerWaalsContact SG-CB 3.55Å; C291-S300 PolarHBondContact SG-OG 3.28Å; C291-L353 VanDerWaalsContact O-CA 3.32Å; C291-L353 WeakPolarHBondContact O-CA 3.3Å; C291-L353 WeakPolarHBondContact O-CB 3.32Å; C291-F354 PolarHBondContact N-O 3.31Å; C291-F354 PolarHBondContact O-N 3.4Å
292	T	98.6	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.			trans	-90.9	175.8	169	75.7	0	0	0	0	110.8	L196 L255 N256 T294 G295 S296 F346	L196-T292 HydrophobicContact CD1-CG2 4.45Å; L196-T292 HydrophobicContact CD2-CG2 3.77Å; L196-T292 HydrophobicContact CG-CG2 3.67Å; L255-T292 WeakPolarHBondContact O-CG2 3.47Å; L255-T292 PolarHBondContact O-OG1 3.27Å; N256-T292 PolarHBondContact O-N 2.65Å; T292-T294 PolarHBondContact O-N 2.84Å; T292-T294 PolarHBondContact OG1-N 2.82Å; T292-G295 CarbonylContact O-C 3.6Å; T292-G295 PolarHBondContact O-N 3.36Å; T292-G295 VanDerWaalsContact O-N 3.09Å; T292-G295 PolarHBondContact OG1-N 2.82Å; T292-G295 VanDerWaalsContact OG1-N 3.17Å; T292-S296 PolarHBondContact O-N 3.1Å; T292-F346 WeakPolarHBondContact O-CZ 3.19Å
293	G	98.1	Very high	97	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.7	171.6	0	0	0	0	0	113	S296 F346	G293-S296 WeakPolarHBondContact O-CB 3.48Å; G293-S296 PolarHBondContact O-OG 2.88Å; G293-F346 VanDerWaalsContact CA-CD2 3.5Å; G293-F346 WeakPolarHBondContact CA-O 3.36Å
294	T	98.1	Very high	97.1	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.055	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-45.4	172	-58.4	0	0	0	0	110.9	L166 R193 L255 N256 T292 S296 P348	L166-T294 HydrophobicContact CD1-CG2 4.49Å; L166-T294 HydrophobicContact CD2-CG2 3.33Å; R193-T294 PolarHBondContact NH1-OG1 3.3Å; L255-T294 HydrophobicContact CD1-CG2 4.22Å; L255-T294 HydrophobicContact CD2-CG2 4.41Å; L255-T294 HydrophobicContact CG-CG2 4Å; N256-T294 WeakPolarHBondContact OD1-CG2 3.48Å; T292-T294 PolarHBondContact O-N 2.84Å; T292-T294 PolarHBondContact OG1-N 2.82Å; T294-S296 PolarHBondContact O-N 2.88Å; T294-P348 VanDerWaalsContact OG1-CB 3.24Å; T294-P348 WeakPolarHBondContact OG1-CB 3.49Å
295	G	97.8	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-69.6	-16.3	176.7	0	0	0	0	0	114.8	T292 K297 A298	T292-G295 CarbonylContact O-C 3.6Å; T292-G295 PolarHBondContact O-N 3.36Å; T292-G295 VanDerWaalsContact O-N 3.09Å; T292-G295 PolarHBondContact OG1-N 2.82Å; T292-G295 VanDerWaalsContact OG1-N 3.17Å; G295-K297 PolarHBondContact O-N 2.89Å; G295-A298 WeakPolarHBondContact O-CB 3.28Å; G295-A298 PolarHBondContact O-N 2.97Å
296	S	97.9	Very high	97.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.6	-14.1	178	78.9	0	0	0	0	114.4	T292 G293 T294 Y301 F346	T292-S296 PolarHBondContact O-N 3.1Å; G293-S296 WeakPolarHBondContact O-CB 3.48Å; G293-S296 PolarHBondContact O-OG 2.88Å; T294-S296 PolarHBondContact O-N 2.88Å; S296-Y301 VanDerWaalsContact O-CB 3.3Å; S296-Y301 WeakPolarHBondContact O-CB 3.41Å; S296-F346 VanDerWaalsContact CB-CD1 3.45Å; S296-F346 VanDerWaalsContact CB-CE1 3.49Å; S296-F346 PolarHBondContact OG-N 3.15Å; S296-F346 VanDerWaalsContact OG-N 3.16Å; S296-F346 PolarHBondContact OG-O 3.43Å
297	K	95.8	Very high	97.2	Very high	129 Å²	129	32.4 Å²	32.4	56%	0.561	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-102.5	-3.8	173.3	-61.5	-177.8	179.3	-177.1	0	113.6	G295 V345	G295-K297 PolarHBondContact O-N 2.89Å; K297-V345 HydrophobicContact CD-CG1 4.22Å; K297-V345 VanDerWaalsContact CE-CG1 3.43Å; K297-V345 HydrophobicContact CG-CG1 3.7Å; K297-V345 HydrophobicContact CG-CG2 4.28Å
298	A	95.5	Very high	97.2	Very high	26 Å²	26	36.5 Å²	36.5	22%	0.215	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-131.2	-173.6	0	0	0	0	0	111.1	G295 S300 Y301 N302	G295-A298 WeakPolarHBondContact O-CB 3.28Å; G295-A298 PolarHBondContact O-N 2.97Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 3.42Å; A298-Y301 WeakPolarHBondContact O-CB 3.44Å; A298-Y301 PolarHBondContact O-N 2.88Å; A298-N302 PolarHBondContact O-ND2 3.03Å
299	W	96	Very high	97.2	Very high	99 Å²	99	42.7 Å²	42.7	38%	0.375	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-36.5	-178.8	-175.4	47.2	0	0	0	112	E257 F259 Y301 N302 I303	E257-W299 HydrophobicContact CG-CE3 4.21Å; F259-W299 HydrophobicContact CB-CH2 4.37Å; F259-W299 HydrophobicContact CB-CZ3 3.82Å; F259-W299 HydrophobicContact CD1-CH2 4.42Å; F259-W299 AromaticContact CD2-CH2 3.38Å; F259-W299 HydrophobicContact CD2-CH2 3.38Å; F259-W299 AromaticContact CD2-CZ3 3.47Å; F259-W299 HydrophobicContact CD2-CZ3 3.47Å; F259-W299 VanDerWaalsContact CD2-CZ3 3.47Å; F259-W299 AromaticContact CE2-CH2 3.68Å; F259-W299 HydrophobicContact CE2-CH2 3.68Å; F259-W299 HydrophobicContact CE2-CZ3 4.23Å; F259-W299 AromaticContact CG-CH2 3.79Å; F259-W299 HydrophobicContact CG-CH2 3.79Å; F259-W299 AromaticContact CG-CZ3 3.73Å; F259-W299 HydrophobicContact CG-CZ3 3.73Å; F259-W299 HydrophobicContact CZ-CH2 4.31Å; W299-Y301 VanDerWaalsContact C-N 3.28Å; W299-Y301 PolarHBondContact O-N 2.98Å; W299-N302 PolarHBondContact O-N 2.89Å; W299-I303 HydrophobicContact CD2-CG2 4.29Å; W299-I303 HydrophobicContact CG-CG2 4.37Å; W299-I303 HydrophobicContact CZ2-CG2 4.13Å; W299-I303 VanDerWaalsContact NE1-CG2 3.3Å; W299-I303 PolarHBondContact O-N 3.21Å; W299-I303 VanDerWaalsContact O-N 3.1Å
300	S	97	Very high	97.2	Very high	3 Å²	3	45 Å²	45	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-39.4	178.6	-167.9	0	0	0	0	113.2	C291 A298 I303 N304	C291-S300 VanDerWaalsContact SG-CB 3.55Å; C291-S300 PolarHBondContact SG-OG 3.28Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 3.42Å; S300-I303 WeakPolarHBondContact O-CG1 3.43Å; S300-N304 WeakPolarHBondContact O-CB 3.46Å; S300-N304 PolarHBondContact O-N 3.03Å; S300-N304 PolarHBondContact O-ND2 2.79Å
301	Y	97.4	Very high	97.1	Very high	62 Å²	62	45.3 Å²	45.3	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-52.2	172.8	-175.3	-106	0	0	0	111.2	S296 A298 W299 I303 N304 K305 N341 L344 V345	S296-Y301 VanDerWaalsContact O-CB 3.3Å; S296-Y301 WeakPolarHBondContact O-CB 3.41Å; A298-Y301 WeakPolarHBondContact O-CB 3.44Å; A298-Y301 PolarHBondContact O-N 2.88Å; W299-Y301 VanDerWaalsContact C-N 3.28Å; W299-Y301 PolarHBondContact O-N 2.98Å; Y301-I303 VanDerWaalsContact C-N 3.31Å; Y301-I303 PolarHBondContact O-N 2.9Å; Y301-N304 PolarHBondContact O-N 2.79Å; Y301-N304 VanDerWaalsContact O-N 3.08Å; Y301-K305 HydrophobicContact CD1-CD 3.94Å; Y301-K305 HydrophobicContact CE1-CB 4.26Å; Y301-K305 HydrophobicContact CE1-CD 3.65Å; Y301-K305 WeakPolarHBondContact O-CB 3.5Å; Y301-K305 PolarHBondContact O-N 2.68Å; Y301-N341 HydrophobicContact CE2-CB 4.16Å; Y301-N341 WeakPolarHBondContact CE2-O 3.44Å; Y301-N341 WeakPolarHBondContact OH-CB 3.33Å; Y301-L344 HydrophobicContact CD2-CB 4.36Å; Y301-V345 HydrophobicContact CD2-CG2 3.74Å; Y301-V345 HydrophobicContact CE2-CG2 3.87Å
302	N	96.4	Very high	97.1	Very high	82 Å²	82	48 Å²	48	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-68.1	-29.9	-170.6	-74.7	-73.2	0	0	0	113.3	A298 W299 N304 K305	A298-N302 PolarHBondContact O-ND2 3.03Å; W299-N302 PolarHBondContact O-N 2.89Å; N302-N304 VanDerWaalsContact C-N 3.35Å; N302-K305 WeakPolarHBondContact OD1-CE 3.36Å; N302-K305 PolarHBondContact OD1-NZ 2.9Å
303	I	95.7	Very high	97	Very high	44 Å²	44	52.1 Å²	52.1	23%	0.226	26%	0.261	C	S	.	.	H	α-helix	trans	-82.1	-12.5	175.5	65.2	173	0	0	0	113.5	W299 S300 Y301 R358	W299-I303 HydrophobicContact CD2-CG2 4.29Å; W299-I303 HydrophobicContact CG-CG2 4.37Å; W299-I303 HydrophobicContact CZ2-CG2 4.13Å; W299-I303 VanDerWaalsContact NE1-CG2 3.3Å; W299-I303 PolarHBondContact O-N 3.21Å; W299-I303 VanDerWaalsContact O-N 3.1Å; S300-I303 WeakPolarHBondContact O-CG1 3.43Å; Y301-I303 VanDerWaalsContact C-N 3.31Å; Y301-I303 PolarHBondContact O-N 2.9Å; I303-R358 HydrophobicContact CD1-CG 4.1Å
304	N	97.3	Very high	97	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-113	-20.9	-176.5	-82	-74.9	0	0	0	114.6	S300 Y301 N302 Y340 L344 S356 R372	S300-N304 WeakPolarHBondContact O-CB 3.46Å; S300-N304 PolarHBondContact O-N 3.03Å; S300-N304 PolarHBondContact O-ND2 2.79Å; Y301-N304 PolarHBondContact O-N 2.79Å; Y301-N304 VanDerWaalsContact O-N 3.08Å; N302-N304 VanDerWaalsContact C-N 3.35Å; N304-Y340 PolarHBondContact O-OH 2.9Å; N304-L344 VanDerWaalsContact C-CD1 3.49Å; N304-L344 HydrophobicContact CB-CD1 3.7Å; N304-L344 HydrophobicContact CB-CD2 3.95Å; N304-L344 HydrophobicContact CB-CG 4.41Å; N304-S356 PolarHBondContact ND2-OG 3.35Å; N304-S356 PolarHBondContact OD1-OG 3.08Å; N304-R372 PolarHBondContact O-NH1 3.46Å; N304-R372 WeakPolarHBondContact OD1-CD 3.34Å; N304-R372 PolarHBondContact OD1-NH1 2.81Å; N304-R372 VanDerWaalsContact OD1-NH1 3.1Å
305	K	97.1	Very high	96.9	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.409	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-63.1	151.9	-179.9	73.1	-177.8	-174	-172.1	0	111.3	Y301 N302 N341 L344	Y301-K305 HydrophobicContact CD1-CD 3.94Å; Y301-K305 HydrophobicContact CE1-CB 4.26Å; Y301-K305 HydrophobicContact CE1-CD 3.65Å; Y301-K305 WeakPolarHBondContact O-CB 3.5Å; Y301-K305 PolarHBondContact O-N 2.68Å; N302-K305 WeakPolarHBondContact OD1-CE 3.36Å; N302-K305 PolarHBondContact OD1-NZ 2.9Å; K305-N341 WeakPolarHBondContact CA-OD1 3.39Å; K305-N341 VanDerWaalsContact CB-OD1 3.28Å; K305-N341 WeakPolarHBondContact CB-OD1 3.39Å; K305-L344 HydrophobicContact CB-CD1 4.29Å
306	L	97.2	Very high	96.9	Very high	60 Å²	60	64.6 Å²	64.6	31%	0.314	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-102.5	145	170.9	-67.8	173.7	0	0	0	109.8	V311 T337 Y340 N341	L306-V311 HydrophobicContact CB-CG2 3.85Å; L306-V311 HydrophobicContact CD1-CG2 4.02Å; L306-T337 WeakPolarHBondContact O-CG2 3.4Å; L306-Y340 HydrophobicContact CB-CD1 4.1Å; L306-Y340 HydrophobicContact CB-CE1 3.92Å; L306-Y340 HydrophobicContact CD1-CD1 3.8Å; L306-Y340 HydrophobicContact CD1-CD2 4.18Å; L306-Y340 HydrophobicContact CD1-CE1 3.55Å; L306-Y340 HydrophobicContact CD1-CE2 3.87Å; L306-Y340 HydrophobicContact CD1-CG 4.12Å; L306-Y340 HydrophobicContact CG-CD1 3.93Å; L306-Y340 HydrophobicContact CG-CE1 3.38Å; L306-Y340 HydrophobicContact CG-CE2 4.5Å; L306-N341 PolarHBondContact N-OD1 3.46Å; L306-N341 PolarHBondContact O-ND2 3.26Å; L306-N341 VanDerWaalsContact O-ND2 3.08Å
307	A	96.9	Very high	96.8	Very high	61 Å²	61	69.9 Å²	69.9	50%	0.504	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-83.7	150.5	164.4	0	0	0	0	0	109.2	Q309 S310 V311	A307-Q309 PolarHBondContact O-N 3.28Å; A307-S310 WeakPolarHBondContact O-CB 3.31Å; A307-S310 PolarHBondContact O-N 3.19Å; A307-V311 PolarHBondContact O-N 2.85Å
308	E	95.9	Very high	96.9	Very high	86 Å²	86	65.5 Å²	65.5	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-52.8	-39.4	178.2	-72.3	173.1	-147.5	0	0	112.3	S310 V311 E312 T337	E308-S310 VanDerWaalsContact C-N 3.32Å; E308-S310 PolarHBondContact O-N 3.1Å; E308-V311 PolarHBondContact O-N 2.96Å; E308-V311 VanDerWaalsContact O-N 3.14Å; E308-E312 WeakPolarHBondContact O-CB 3.28Å; E308-E312 PolarHBondContact O-N 3.15Å; E308-T337 HydrophobicContact CG-CG2 4.03Å
309	Q	97.4	Very high	96.9	Very high	130 Å²	130	64.8 Å²	64.8	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-55.4	-46.3	176.3	-177.5	-175.1	-10.9	0	0	112	A307 V311 E312 E313	A307-Q309 PolarHBondContact O-N 3.28Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.77Å; Q309-E312 PolarHBondContact O-N 2.84Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.29Å; Q309-E313 PolarHBondContact NE2-OE1 3.1Å; Q309-E313 WeakPolarHBondContact O-CB 3.28Å; Q309-E313 VanDerWaalsContact O-CG 3.28Å; Q309-E313 WeakPolarHBondContact O-CG 3.36Å; Q309-E313 PolarHBondContact O-N 3.41Å
310	S	97.5	Very high	96.8	Very high	48 Å²	48	64.3 Å²	64.3	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-37	179.8	-55.5	0	0	0	0	111.8	A307 E308 V314	A307-S310 WeakPolarHBondContact O-CB 3.31Å; A307-S310 PolarHBondContact O-N 3.19Å; E308-S310 VanDerWaalsContact C-N 3.32Å; E308-S310 PolarHBondContact O-N 3.1Å; S310-V314 VanDerWaalsContact O-CG2 3.28Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 3.49Å; S310-V314 VanDerWaalsContact O-N 3.12Å
311	V	97.4	Very high	96.8	Very high	9 Å²	9	72 Å²	72	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-65.4	-46.1	176.1	174	0	0	0	0	110.3	L306 A307 E308 Q309 V314 L315 L333 V336 T337	L306-V311 HydrophobicContact CB-CG2 3.85Å; L306-V311 HydrophobicContact CD1-CG2 4.02Å; A307-V311 PolarHBondContact O-N 2.85Å; E308-V311 PolarHBondContact O-N 2.96Å; E308-V311 VanDerWaalsContact O-N 3.14Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.77Å; V311-V314 PolarHBondContact O-N 2.83Å; V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.26Å; V311-L315 WeakPolarHBondContact O-CB 3.4Å; V311-L315 VanDerWaalsContact O-CG 3.24Å; V311-L315 WeakPolarHBondContact O-CG 3.13Å; V311-L315 PolarHBondContact O-N 3.39Å; V311-L333 HydrophobicContact CG1-CD2 4.44Å; V311-V336 HydrophobicContact CG1-CB 4.2Å; V311-V336 HydrophobicContact CG1-CG1 3.74Å; V311-T337 HydrophobicContact CG2-CG2 4.38Å; V311-T337 WeakPolarHBondContact CG2-OG1 3.5Å
312	E	97.4	Very high	96.8	Very high	57 Å²	57	72.3 Å²	72.3	27%	0.266	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-48.7	177.3	-173.1	-178.3	-174.5	0	0	111.9	E308 Q309 V314 L315 R316 L333	E308-E312 WeakPolarHBondContact O-CB 3.28Å; E308-E312 PolarHBondContact O-N 3.15Å; Q309-E312 PolarHBondContact O-N 2.84Å; E312-V314 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 2.94Å; E312-R316 VanDerWaalsContact CD-NH2 3.25Å; E312-R316 WeakPolarHBondContact O-CB 3.07Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE1-CZ 3.22Å; E312-R316 IonicContact OE1-NH2 3.17Å; E312-R316 PolarHBondContact OE1-NH2 3.12Å; E312-R316 IonicContact OE2-NH2 3.17Å; E312-L333 HydrophobicContact CB-CD1 3.91Å; E312-L333 HydrophobicContact CB-CD2 3.76Å; E312-L333 HydrophobicContact CB-CG 4.48Å; E312-L333 HydrophobicContact CG-CD1 3.77Å; E312-L333 HydrophobicContact CG-CD2 4.08Å
313	E	97.8	Very high	96.7	Very high	86 Å²	86	71.9 Å²	71.9	40%	0.402	41%	0.411	S	S	.	.	H	α-helix	trans	-58.4	-47.9	179.3	-74.1	169.9	-177.1	0	0	111.5	Q309 R316 I317	Q309-E313 WeakPolarHBondContact CG-OE1 3.29Å; Q309-E313 PolarHBondContact NE2-OE1 3.1Å; Q309-E313 WeakPolarHBondContact O-CB 3.28Å; Q309-E313 VanDerWaalsContact O-CG 3.28Å; Q309-E313 WeakPolarHBondContact O-CG 3.36Å; Q309-E313 PolarHBondContact O-N 3.41Å; E313-R316 PolarHBondContact O-N 3.42Å; E313-I317 WeakPolarHBondContact O-CD1 3.23Å; E313-I317 VanDerWaalsContact O-CG1 3.24Å; E313-I317 WeakPolarHBondContact O-CG1 3.39Å; E313-I317 PolarHBondContact O-N 2.98Å
314	V	97.3	Very high	96.7	Very high	100 Å²	100	73.4 Å²	73.4	61%	0.606	42%	0.423	S	S	*	.	H	α-helix	trans	-64.1	-47	179	170.7	0	0	0	0	111.5	S310 V311 E312 R316 I317 G318	S310-V314 VanDerWaalsContact O-CG2 3.28Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 3.49Å; S310-V314 VanDerWaalsContact O-N 3.12Å; V311-V314 PolarHBondContact O-N 2.83Å; E312-V314 PolarHBondContact O-N 3.41Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.47Å; V314-I317 PolarHBondContact O-N 2.87Å; V314-G318 PolarHBondContact O-N 3.47Å
315	L	96.9	Very high	96.4	Very high	41 Å²	41	82.4 Å²	82.4	22%	0.215	46%	0.464	C	S	.	.	H	α-helix	trans	-65.4	-38.7	-179.4	-70.6	172.9	0	0	0	111.8	V311 E312 G318 A319 L326 L328 F332 L333 V336	V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.26Å; V311-L315 WeakPolarHBondContact O-CB 3.4Å; V311-L315 VanDerWaalsContact O-CG 3.24Å; V311-L315 WeakPolarHBondContact O-CG 3.13Å; V311-L315 PolarHBondContact O-N 3.39Å; E312-L315 PolarHBondContact O-N 2.94Å; L315-G318 PolarHBondContact O-N 3.22Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.18Å; L315-L326 HydrophobicContact CB-CD1 4.36Å; L315-L326 HydrophobicContact CD2-CD1 4.29Å; L315-L328 HydrophobicContact CB-CD2 3.8Å; L315-L328 HydrophobicContact CD1-CD2 4.33Å; L315-F332 HydrophobicContact CD1-CE1 3.98Å; L315-L333 HydrophobicContact CD1-CD2 4.04Å; L315-V336 HydrophobicContact CD1-CG1 4.34Å
316	R	96.4	Very high	96.2	Very high	130 Å²	130	81 Å²	81	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-45	176	-170.6	-173.4	-64.6	158.6	-4.2	111.6	E312 E313 V314 S320 L328	E312-R316 VanDerWaalsContact CD-NH2 3.25Å; E312-R316 WeakPolarHBondContact O-CB 3.07Å; E312-R316 PolarHBondContact O-N 3.46Å; E312-R316 IonicContact OE1-CZ 3.22Å; E312-R316 IonicContact OE1-NH2 3.17Å; E312-R316 PolarHBondContact OE1-NH2 3.12Å; E312-R316 IonicContact OE2-NH2 3.17Å; E313-R316 PolarHBondContact O-N 3.42Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.47Å; R316-S320 WeakPolarHBondContact O-CB 3.28Å; R316-S320 PolarHBondContact O-N 2.62Å; R316-S320 VanDerWaalsContact O-N 3.08Å; R316-L328 HydrophobicContact CB-CD1 3.84Å; R316-L328 HydrophobicContact CG-CD1 4.17Å
317	I	97.3	Very high	95.7	Very high	112 Å²	112	82.3 Å²	82.3	57%	0.574	47%	0.473	S	S	*	.	H	α-helix	trans	-63.2	-47.2	175.8	-67.8	164.5	0	0	0	110.1	E313 V314 A319 S320 Q321	E313-I317 WeakPolarHBondContact O-CD1 3.23Å; E313-I317 VanDerWaalsContact O-CG1 3.24Å; E313-I317 WeakPolarHBondContact O-CG1 3.39Å; E313-I317 PolarHBondContact O-N 2.98Å; V314-I317 PolarHBondContact O-N 2.87Å; I317-A319 PolarHBondContact O-N 2.89Å; I317-S320 PolarHBondContact O-N 3.37Å; I317-Q321 HydrophobicContact CG2-CG 4.47Å; I317-Q321 WeakPolarHBondContact O-CG 3.33Å; I317-Q321 PolarHBondContact O-N 2.77Å
318	G	96.8	Very high	95.5	Very high	38 Å²	38	81.7 Å²	81.7	39%	0.392	46%	0.461	S	S	.	.	H	α-helix	trans	-60.7	-44.4	179	0	0	0	0	0	113	V314 L315 S320 Q321 A322	V314-G318 PolarHBondContact O-N 3.47Å; L315-G318 PolarHBondContact O-N 3.22Å; G318-S320 PolarHBondContact O-N 2.97Å; G318-Q321 PolarHBondContact O-N 3.07Å; G318-A322 WeakPolarHBondContact O-CB 3.19Å; G318-A322 PolarHBondContact O-N 3.38Å
319	A	95.6	Very high	95.5	Very high	10 Å²	10	80.4 Å²	80.4	8%	0.083	46%	0.461	C	S	.	.	H	α-helix	trans	-58.1	-47.8	175.4	0	0	0	0	0	111.8	L315 I317 Q321 A322 G323 V324 L326	L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.18Å; I317-A319 PolarHBondContact O-N 2.89Å; A319-Q321 PolarHBondContact O-N 3.23Å; A319-A322 PolarHBondContact O-N 3.34Å; A319-G323 PolarHBondContact O-N 3.45Å; A319-V324 HydrophobicContact CB-CG2 4.44Å; A319-V324 WeakPolarHBondContact CB-O 3.4Å; A319-V324 PolarHBondContact O-N 2.91Å; A319-V324 VanDerWaalsContact O-N 3.1Å; A319-L326 HydrophobicContact CB-CB 4.35Å; A319-L326 HydrophobicContact CB-CD1 3.96Å; A319-L326 HydrophobicContact CB-CG 4.04Å
320	S	95.3	Very high	95.4	Very high	90 Å²	90	82.9 Å²	82.9	63%	0.629	47%	0.465	S	S	*	.	H	α-helix	trans	-60.2	-45.8	177.7	179	0	0	0	0	112.4	R316 I317 G318 A322 G323	R316-S320 WeakPolarHBondContact O-CB 3.28Å; R316-S320 PolarHBondContact O-N 2.62Å; R316-S320 VanDerWaalsContact O-N 3.08Å; I317-S320 PolarHBondContact O-N 3.37Å; G318-S320 PolarHBondContact O-N 2.97Å; S320-A322 PolarHBondContact O-N 3.05Å; S320-G323 PolarHBondContact O-N 3.43Å
321	Q	96.8	Very high	95.3	Very high	163 Å²	163	88.1 Å²	88.1	76%	0.762	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-34	178.9	-67.7	-62.4	-42.5	0	0	113.2	I317 G318 A319	I317-Q321 HydrophobicContact CG2-CG 4.47Å; I317-Q321 WeakPolarHBondContact O-CG 3.33Å; I317-Q321 PolarHBondContact O-N 2.77Å; G318-Q321 PolarHBondContact O-N 3.07Å; A319-Q321 PolarHBondContact O-N 3.23Å
322	A	96.2	Very high	95.3	Very high	70 Å²	70	90.9 Å²	90.9	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-84.8	-8.1	179.1	0	0	0	0	0	113.5	G318 A319 S320 V324	G318-A322 WeakPolarHBondContact O-CB 3.19Å; G318-A322 PolarHBondContact O-N 3.38Å; A319-A322 PolarHBondContact O-N 3.34Å; S320-A322 PolarHBondContact O-N 3.05Å; A322-V324 VanDerWaalsContact C-N 3.26Å; A322-V324 HydrophobicContact CB-CG1 4.4Å; A322-V324 HydrophobicContact CB-CG2 3.96Å; A322-V324 PolarHBondContact O-N 3.34Å
323	G	95.2	Very high	95.3	Very high	72 Å²	72	88.7 Å²	88.7	74%	0.742	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	30.1	-176.2	0	0	0	0	0	113.2	A319 S320	A319-G323 PolarHBondContact O-N 3.45Å; S320-G323 PolarHBondContact O-N 3.43Å
324	V	95.3	Very high	95.2	Very high	77 Å²	77	87.1 Å²	87.1	47%	0.467	48%	0.478	S	S	.	.			trans	-113.8	143	179.6	-61.8	0	0	0	0	110.3	A319 A322 L326	A319-V324 HydrophobicContact CB-CG2 4.44Å; A319-V324 WeakPolarHBondContact CB-O 3.4Å; A319-V324 PolarHBondContact O-N 2.91Å; A319-V324 VanDerWaalsContact O-N 3.1Å; A322-V324 VanDerWaalsContact C-N 3.26Å; A322-V324 HydrophobicContact CB-CG1 4.4Å; A322-V324 HydrophobicContact CB-CG2 3.96Å; A322-V324 PolarHBondContact O-N 3.34Å; V324-L326 HydrophobicContact CG2-CG 4.45Å
325	E	91.6	Very high	95.3	Very high	196 Å²	196	88.7 Å²	88.7	92%	0.916	48%	0.477	S	S	*	.			trans	-85	122.8	168.4	-71.2	-171.2	164.5	0	0	109.5
326	L	91.5	Very high	95.3	Very high	65 Å²	65	88.9 Å²	88.9	34%	0.34	48%	0.48	S	S	.	.			trans	-104.2	134.6	169.6	-70.8	179.2	0	0	0	109.2	L315 A319 V324 L328	L315-L326 HydrophobicContact CB-CD1 4.36Å; L315-L326 HydrophobicContact CD2-CD1 4.29Å; A319-L326 HydrophobicContact CB-CB 4.35Å; A319-L326 HydrophobicContact CB-CD1 3.96Å; A319-L326 HydrophobicContact CB-CG 4.04Å; V324-L326 HydrophobicContact CG2-CG 4.45Å; L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 HydrophobicContact CB-CD2 4Å; L326-L328 HydrophobicContact CB-CG 4.39Å; L326-L328 PolarHBondContact O-N 3.05Å
327	P	88.2	Confident	95.4	Very high	88 Å²	88	83 Å²	83	57%	0.571	46%	0.458	S	S	*	.			trans	-74.4	84.9	173.4	31.6	-33.3	0	0	0	108.9	S329 F332	P327-S329 PolarHBondContact O-N 3.46Å; P327-F332 WeakPolarHBondContact O-CB 3.19Å; P327-F332 VanDerWaalsContact O-CD1 3.28Å; P327-F332 WeakPolarHBondContact O-CD1 3.48Å; P327-F332 WeakPolarHBondContact O-CG 3.38Å
328	L	92.1	Very high	95.4	Very high	48 Å²	48	82.4 Å²	82.4	25%	0.251	46%	0.456	S	S	.	.			trans	-73.9	46.1	176.5	-56	-180	0	0	0	111.5	L315 R316 L326 F332 L333	L315-L328 HydrophobicContact CB-CD2 3.8Å; L315-L328 HydrophobicContact CD1-CD2 4.33Å; R316-L328 HydrophobicContact CB-CD1 3.84Å; R316-L328 HydrophobicContact CG-CD1 4.17Å; L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 HydrophobicContact CB-CD2 4Å; L326-L328 HydrophobicContact CB-CG 4.39Å; L326-L328 PolarHBondContact O-N 3.05Å; L328-F332 HydrophobicContact CD2-CE1 4.49Å; L328-L333 HydrophobicContact CD2-CD2 4.24Å
329	S	95.1	Very high	95.5	Very high	58 Å²	58	85.2 Å²	85.2	41%	0.406	46%	0.463	S	S	.	.			trans	-67.7	155.5	171.9	69.7	0	0	0	0	109.9	P327 E331 F332 L333	P327-S329 PolarHBondContact O-N 3.46Å; S329-E331 VanDerWaalsContact C-N 3.31Å; S329-E331 PolarHBondContact O-N 3.35Å; S329-F332 PolarHBondContact O-N 2.89Å; S329-F332 VanDerWaalsContact O-N 3.1Å; S329-F332 WeakPolarHBondContact OG-CB 3.2Å; S329-F332 PolarHBondContact OG-N 3.34Å; S329-L333 WeakPolarHBondContact O-CG 3.28Å; S329-L333 PolarHBondContact O-N 3.37Å
330	R	95.5	Very high	95.6	Very high	183 Å²	183	87.5 Å²	87.5	69%	0.691	47%	0.47	S	S	*	.	H	α-helix	trans	-53.5	-47.4	176.6	-178.2	175.9	170.6	-177.9	-5	112.2	F332 L333 E334	R330-F332 VanDerWaalsContact C-N 3.3Å; R330-F332 PolarHBondContact O-N 2.94Å; R330-L333 PolarHBondContact O-N 2.68Å; R330-E334 HydrophobicContact CG-CG 4.24Å; R330-E334 WeakPolarHBondContact CG-OE1 3.38Å; R330-E334 IonicContact CZ-OE1 3.96Å; R330-E334 VanDerWaalsContact CZ-OE1 3.3Å; R330-E334 IonicContact NE-OE1 2.62Å; R330-E334 PolarHBondContact NE-OE1 2.86Å; R330-E334 IonicContact NH2-OE1 3.74Å; R330-E334 PolarHBondContact NH2-OE1 2.87Å; R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.24Å; R330-E334 PolarHBondContact O-N 3.15Å
331	E	96.5	Very high	95.7	Very high	157 Å²	157	83.7 Å²	83.7	73%	0.734	44%	0.442	S	S	*	.	H	α-helix	trans	-61.2	-36.7	178.5	-64.5	176.4	-178.1	0	0	112.9	S329 K335	S329-E331 VanDerWaalsContact C-N 3.31Å; S329-E331 PolarHBondContact O-N 3.35Å; E331-K335 VanDerWaalsContact O-CB 3.25Å; E331-K335 WeakPolarHBondContact O-CB 3.39Å; E331-K335 PolarHBondContact O-N 2.85Å
332	F	96.1	Very high	95.8	Very high	67 Å²	67	78.9 Å²	78.9	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-68.8	-44.8	176.8	178.2	-101.1	0	0	0	111.3	L315 P327 L328 S329 R330 K335 V336	L315-F332 HydrophobicContact CD1-CE1 3.98Å; P327-F332 WeakPolarHBondContact O-CB 3.19Å; P327-F332 VanDerWaalsContact O-CD1 3.28Å; P327-F332 WeakPolarHBondContact O-CD1 3.48Å; P327-F332 WeakPolarHBondContact O-CG 3.38Å; L328-F332 HydrophobicContact CD2-CE1 4.49Å; S329-F332 PolarHBondContact O-N 2.89Å; S329-F332 VanDerWaalsContact O-N 3.1Å; S329-F332 WeakPolarHBondContact OG-CB 3.2Å; S329-F332 PolarHBondContact OG-N 3.34Å; R330-F332 VanDerWaalsContact C-N 3.3Å; R330-F332 PolarHBondContact O-N 2.94Å; F332-K335 PolarHBondContact O-N 2.94Å; F332-V336 HydrophobicContact CD1-CG2 4.4Å; F332-V336 HydrophobicContact CD2-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 4.07Å; F332-V336 HydrophobicContact CE2-CG2 4.09Å; F332-V336 HydrophobicContact CZ-CG2 3.89Å; F332-V336 VanDerWaalsContact O-CG2 3.31Å; F332-V336 WeakPolarHBondContact O-CG2 3.5Å; F332-V336 PolarHBondContact O-N 3.37Å
333	L	97.3	Very high	95.8	Very high	11 Å²	11	79 Å²	79	6%	0.058	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-46.4	178.5	-67.8	171.5	0	0	0	112.1	V311 E312 L315 L328 S329 R330 K335 V336 T337	V311-L333 HydrophobicContact CG1-CD2 4.44Å; E312-L333 HydrophobicContact CB-CD1 3.91Å; E312-L333 HydrophobicContact CB-CD2 3.76Å; E312-L333 HydrophobicContact CB-CG 4.48Å; E312-L333 HydrophobicContact CG-CD1 3.77Å; E312-L333 HydrophobicContact CG-CD2 4.08Å; L315-L333 HydrophobicContact CD1-CD2 4.04Å; L328-L333 HydrophobicContact CD2-CD2 4.24Å; S329-L333 WeakPolarHBondContact O-CG 3.28Å; S329-L333 PolarHBondContact O-N 3.37Å; R330-L333 PolarHBondContact O-N 2.68Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 3.44Å; L333-V336 PolarHBondContact O-N 2.75Å; L333-T337 VanDerWaalsContact O-CB 3.26Å; L333-T337 WeakPolarHBondContact O-CB 3.49Å; L333-T337 PolarHBondContact O-N 2.99Å; L333-T337 PolarHBondContact O-OG1 2.87Å
334	E	97.4	Very high	95.8	Very high	53 Å²	53	76 Å²	76	25%	0.248	39%	0.394	C	S	.	.	H	α-helix	trans	-54.9	-51.8	173.9	-77	174.8	171.5	0	0	109.5	R330 V336 T337 D338	R330-E334 HydrophobicContact CG-CG 4.24Å; R330-E334 WeakPolarHBondContact CG-OE1 3.38Å; R330-E334 IonicContact CZ-OE1 3.96Å; R330-E334 VanDerWaalsContact CZ-OE1 3.3Å; R330-E334 IonicContact NE-OE1 2.62Å; R330-E334 PolarHBondContact NE-OE1 2.86Å; R330-E334 IonicContact NH2-OE1 3.74Å; R330-E334 PolarHBondContact NH2-OE1 2.87Å; R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.24Å; R330-E334 PolarHBondContact O-N 3.15Å; E334-V336 PolarHBondContact O-N 2.83Å; E334-T337 PolarHBondContact O-N 3.38Å; E334-D338 WeakPolarHBondContact O-CB 3.22Å; E334-D338 PolarHBondContact O-N 3.17Å
335	K	97.4	Very high	95.9	Very high	133 Å²	133	74.7 Å²	74.7	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-45.6	-179.6	-174.4	177.6	179.6	-174.3	0	113.6	E331 F332 L333 T337 D338 D339	E331-K335 VanDerWaalsContact O-CB 3.25Å; E331-K335 WeakPolarHBondContact O-CB 3.39Å; E331-K335 PolarHBondContact O-N 2.85Å; F332-K335 PolarHBondContact O-N 2.94Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 3.44Å; K335-T337 VanDerWaalsContact C-N 3.3Å; K335-T337 PolarHBondContact O-N 2.98Å; K335-D338 PolarHBondContact O-N 2.83Å; K335-D339 WeakPolarHBondContact O-CB 3.12Å; K335-D339 VanDerWaalsContact O-CG 3.26Å; K335-D339 PolarHBondContact O-N 3.14Å
336	V	97.9	Very high	96.3	Very high	46 Å²	46	65.9 Å²	65.9	28%	0.279	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178.6	173.3	0	0	0	0	110.7	V311 L315 F332 L333 E334 Y340	V311-V336 HydrophobicContact CG1-CB 4.2Å; V311-V336 HydrophobicContact CG1-CG1 3.74Å; L315-V336 HydrophobicContact CD1-CG1 4.34Å; F332-V336 HydrophobicContact CD1-CG2 4.4Å; F332-V336 HydrophobicContact CD2-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 4.07Å; F332-V336 HydrophobicContact CE2-CG2 4.09Å; F332-V336 HydrophobicContact CZ-CG2 3.89Å; F332-V336 VanDerWaalsContact O-CG2 3.31Å; F332-V336 WeakPolarHBondContact O-CG2 3.5Å; F332-V336 PolarHBondContact O-N 3.37Å; L333-V336 PolarHBondContact O-N 2.75Å; E334-V336 PolarHBondContact O-N 2.83Å; V336-Y340 WeakPolarHBondContact O-CB 3.47Å; V336-Y340 PolarHBondContact O-N 2.75Å
337	T	98.3	Very high	96.5	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-46.7	177.4	-57.2	0	0	0	0	110.8	L306 E308 V311 L333 E334 K335 Y340 N341	L306-T337 WeakPolarHBondContact O-CG2 3.4Å; E308-T337 HydrophobicContact CG-CG2 4.03Å; V311-T337 HydrophobicContact CG2-CG2 4.38Å; V311-T337 WeakPolarHBondContact CG2-OG1 3.5Å; L333-T337 VanDerWaalsContact O-CB 3.26Å; L333-T337 WeakPolarHBondContact O-CB 3.49Å; L333-T337 PolarHBondContact O-N 2.99Å; L333-T337 PolarHBondContact O-OG1 2.87Å; E334-T337 PolarHBondContact O-N 3.38Å; K335-T337 VanDerWaalsContact C-N 3.3Å; K335-T337 PolarHBondContact O-N 2.98Å; T337-Y340 PolarHBondContact O-N 3.39Å; T337-N341 VanDerWaalsContact O-CB 3.29Å; T337-N341 WeakPolarHBondContact O-CB 3.47Å; T337-N341 PolarHBondContact O-N 2.84Å; T337-N341 PolarHBondContact O-ND2 2.86Å
338	D	98.1	Very high	97	Very high	100 Å²	100	62.1 Å²	62.1	54%	0.535	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-45.7	178	-75	-15.3	0	0	0	111.9	E334 K335 Y340 N341 A342	E334-D338 WeakPolarHBondContact O-CB 3.22Å; E334-D338 PolarHBondContact O-N 3.17Å; K335-D338 PolarHBondContact O-N 2.83Å; D338-Y340 VanDerWaalsContact C-N 3.35Å; D338-Y340 PolarHBondContact O-N 3.38Å; D338-N341 PolarHBondContact O-N 3.1Å; D338-A342 WeakPolarHBondContact O-CB 3.29Å; D338-A342 PolarHBondContact O-N 2.98Å
339	D	98.3	Very high	97.2	Very high	98 Å²	98	63.9 Å²	63.9	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-43.4	178.3	-76.7	-16.7	0	0	0	111.1	K335 S343	K335-D339 WeakPolarHBondContact O-CB 3.12Å; K335-D339 VanDerWaalsContact O-CG 3.26Å; K335-D339 PolarHBondContact O-N 3.14Å; D339-S343 PolarHBondContact O-N 2.81Å
340	Y	97.8	Very high	97.3	Very high	58 Å²	58	64 Å²	64	23%	0.227	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-47.1	175.4	167.7	-83.8	0	0	0	111.4	N304 L306 V336 T337 D338 A342 S343 L344 R372	N304-Y340 PolarHBondContact O-OH 2.9Å; L306-Y340 HydrophobicContact CB-CD1 4.1Å; L306-Y340 HydrophobicContact CB-CE1 3.92Å; L306-Y340 HydrophobicContact CD1-CD1 3.8Å; L306-Y340 HydrophobicContact CD1-CD2 4.18Å; L306-Y340 HydrophobicContact CD1-CE1 3.55Å; L306-Y340 HydrophobicContact CD1-CE2 3.87Å; L306-Y340 HydrophobicContact CD1-CG 4.12Å; L306-Y340 HydrophobicContact CG-CD1 3.93Å; L306-Y340 HydrophobicContact CG-CE1 3.38Å; L306-Y340 HydrophobicContact CG-CE2 4.5Å; V336-Y340 WeakPolarHBondContact O-CB 3.47Å; V336-Y340 PolarHBondContact O-N 2.75Å; T337-Y340 PolarHBondContact O-N 3.39Å; D338-Y340 VanDerWaalsContact C-N 3.35Å; D338-Y340 PolarHBondContact O-N 3.38Å; Y340-A342 VanDerWaalsContact C-N 3.35Å; Y340-A342 PolarHBondContact O-N 3.16Å; Y340-S343 WeakPolarHBondContact O-CB 3.37Å; Y340-S343 PolarHBondContact O-N 3.27Å; Y340-S343 VanDerWaalsContact O-N 3.13Å; Y340-S343 PolarHBondContact O-OG 3.43Å; Y340-L344 HydrophobicContact CE1-CD1 4.16Å; Y340-R372 VanDerWaalsContact CZ-NH2 3.35Å; Y340-R372 PolarHBondContact OH-NH1 2.91Å; Y340-R372 PolarHBondContact OH-NH2 2.82Å
341	N	98.1	Very high	97.4	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.053	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-38.4	-177.6	-74.7	-22	0	0	0	111.3	Y301 K305 L306 T337 D338 S343 L344	Y301-N341 HydrophobicContact CE2-CB 4.16Å; Y301-N341 WeakPolarHBondContact CE2-O 3.44Å; Y301-N341 WeakPolarHBondContact OH-CB 3.33Å; K305-N341 WeakPolarHBondContact CA-OD1 3.39Å; K305-N341 VanDerWaalsContact CB-OD1 3.28Å; K305-N341 WeakPolarHBondContact CB-OD1 3.39Å; L306-N341 PolarHBondContact N-OD1 3.46Å; L306-N341 PolarHBondContact O-ND2 3.26Å; L306-N341 VanDerWaalsContact O-ND2 3.08Å; T337-N341 VanDerWaalsContact O-CB 3.29Å; T337-N341 WeakPolarHBondContact O-CB 3.47Å; T337-N341 PolarHBondContact O-N 2.84Å; T337-N341 PolarHBondContact O-ND2 2.86Å; D338-N341 PolarHBondContact O-N 3.1Å; N341-S343 PolarHBondContact O-N 3.42Å; N341-L344 WeakPolarHBondContact O-CB 3.23Å; N341-L344 PolarHBondContact O-N 3.21Å; N341-L344 VanDerWaalsContact O-N 3.12Å
342	A	97.4	Very high	97.4	Very high	61 Å²	61	55.4 Å²	55.4	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-32.1	173.3	0	0	0	0	0	112.2	D338 Y340 L344 V345	D338-A342 WeakPolarHBondContact O-CB 3.29Å; D338-A342 PolarHBondContact O-N 2.98Å; Y340-A342 VanDerWaalsContact C-N 3.35Å; Y340-A342 PolarHBondContact O-N 3.16Å; A342-L344 PolarHBondContact O-N 3.46Å; A342-V345 PolarHBondContact O-N 3.32Å; A342-V345 VanDerWaalsContact O-N 3.11Å
343	S	96.1	Very high	97.4	Very high	74 Å²	74	52.2 Å²	52.2	52%	0.517	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.1	176.7	83.2	0	0	0	0	114.3	D339 Y340 N341 V345	D339-S343 PolarHBondContact O-N 2.81Å; Y340-S343 WeakPolarHBondContact O-CB 3.37Å; Y340-S343 PolarHBondContact O-N 3.27Å; Y340-S343 VanDerWaalsContact O-N 3.13Å; Y340-S343 PolarHBondContact O-OG 3.43Å; N341-S343 PolarHBondContact O-N 3.42Å; S343-V345 VanDerWaalsContact C-N 3.34Å
344	L	96.7	Very high	97.5	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-21	175.3	-57.3	172.4	0	0	0	112.3	Y301 N304 K305 Y340 N341 A342 F354	Y301-L344 HydrophobicContact CD2-CB 4.36Å; N304-L344 VanDerWaalsContact C-CD1 3.49Å; N304-L344 HydrophobicContact CB-CD1 3.7Å; N304-L344 HydrophobicContact CB-CD2 3.95Å; N304-L344 HydrophobicContact CB-CG 4.41Å; K305-L344 HydrophobicContact CB-CD1 4.29Å; Y340-L344 HydrophobicContact CE1-CD1 4.16Å; N341-L344 WeakPolarHBondContact O-CB 3.23Å; N341-L344 PolarHBondContact O-N 3.21Å; N341-L344 VanDerWaalsContact O-N 3.12Å; A342-L344 PolarHBondContact O-N 3.46Å; L344-F354 HydrophobicContact CD2-CZ 4.22Å
345	V	97.6	Very high	97.5	Very high	49 Å²	49	50.2 Å²	50.2	30%	0.297	28%	0.279	S	S	.	.			trans	-94.2	130.7	-176.5	-180	0	0	0	0	109.4	K297 Y301 A342 S343	K297-V345 HydrophobicContact CD-CG1 4.22Å; K297-V345 VanDerWaalsContact CE-CG1 3.43Å; K297-V345 HydrophobicContact CG-CG1 3.7Å; K297-V345 HydrophobicContact CG-CG2 4.28Å; Y301-V345 HydrophobicContact CD2-CG2 3.74Å; Y301-V345 HydrophobicContact CE2-CG2 3.87Å; A342-V345 PolarHBondContact O-N 3.32Å; A342-V345 VanDerWaalsContact O-N 3.11Å; S343-V345 VanDerWaalsContact C-N 3.34Å
346	F	98	Very high	97.5	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.048	25%	0.254	C	S	.	.			trans	-136.6	165.7	179.3	65.2	-79.2	0	0	0	111.9	T292 G293 S296 E350 R352 F354 F374	T292-F346 WeakPolarHBondContact O-CZ 3.19Å; G293-F346 VanDerWaalsContact CA-CD2 3.5Å; G293-F346 WeakPolarHBondContact CA-O 3.36Å; S296-F346 VanDerWaalsContact CB-CD1 3.45Å; S296-F346 VanDerWaalsContact CB-CE1 3.49Å; S296-F346 PolarHBondContact OG-N 3.15Å; S296-F346 VanDerWaalsContact OG-N 3.16Å; S296-F346 PolarHBondContact OG-O 3.43Å; F346-E350 WeakPolarHBondContact CB-OE2 3.5Å; F346-E350 HydrophobicContact CD2-CB 4.32Å; F346-R352 HydrophobicContact CD2-CG 4.1Å; F346-R352 HydrophobicContact CE2-CG 3.87Å; F346-F354 HydrophobicContact CE1-CB 3.7Å; F346-F354 HydrophobicContact CZ-CB 4Å; F346-F374 HydrophobicContact CB-CE1 4.34Å; F346-F374 AromaticContact CD1-CE1 3.62Å; F346-F374 HydrophobicContact CD1-CE1 3.62Å; F346-F374 HydrophobicContact CD1-CZ 4.21Å; F346-F374 HydrophobicContact CD2-CE1 4.29Å; F346-F374 AromaticContact CE1-CE1 3.83Å; F346-F374 HydrophobicContact CE1-CE1 3.83Å; F346-F374 HydrophobicContact CE2-CE1 4.46Å; F346-F374 AromaticContact CG-CE1 3.85Å; F346-F374 HydrophobicContact CG-CE1 3.85Å; F346-F374 HydrophobicContact CG-CZ 4.47Å; F346-F374 HydrophobicContact CZ-CE1 4.24Å
347	A	97.7	Very high	97.5	Very high	44 Å²	44	42.3 Å²	42.3	36%	0.364	24%	0.242	S	C	.	.			trans	-68.4	138.4	-168.2	0	0	0	0	0	111.2	D349 E350	A347-D349 WeakPolarHBondContact CB-OD1 3.45Å; A347-D349 PolarHBondContact O-N 3.37Å; A347-E350 HydrophobicContact CB-CB 4.25Å; A347-E350 VanDerWaalsContact O-CB 3.31Å; A347-E350 WeakPolarHBondContact O-CB 3.34Å; A347-E350 PolarHBondContact O-N 3.5Å; A347-E350 VanDerWaalsContact O-N 3.12Å
348	P	97.5	Very high	97.4	Very high	30 Å²	30	45.2 Å²	45.2	20%	0.195	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.3	-174.5	28	-36.9	0	0	0	113.8	L191 R193 Q194 T294	L191-P348 HydrophobicContact CD1-CG 4.03Å; L191-P348 HydrophobicContact CD2-CG 3.92Å; L191-P348 HydrophobicContact CG-CG 4.4Å; R193-P348 CarbonylContact C-O 3.51Å; R193-P348 WeakPolarHBondContact CA-O 3.35Å; R193-P348 HydrophobicContact CG-CB 4.29Å; Q194-P348 PolarHBondContact N-O 3.02Å; T294-P348 VanDerWaalsContact OG1-CB 3.24Å; T294-P348 WeakPolarHBondContact OG1-CB 3.49Å
349	D	97	Very high	97.1	Very high	84 Å²	84	46 Å²	46	45%	0.449	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.2	177.2	59.1	-31	0	0	0	113.7	W192 Q194 A347	W192-D349 VanDerWaalsContact O-CA 3.29Å; W192-D349 WeakPolarHBondContact O-CA 3.46Å; W192-D349 VanDerWaalsContact O-CB 3.27Å; W192-D349 WeakPolarHBondContact O-CB 3.47Å; Q194-D349 PolarHBondContact NE2-O 2.97Å; A347-D349 WeakPolarHBondContact CB-OD1 3.45Å; A347-D349 PolarHBondContact O-N 3.37Å
350	E	97.3	Very high	97	Very high	62 Å²	62	42.5 Å²	42.5	29%	0.29	24%	0.236	S	C	.	.			trans	-70.2	123	-178	-166.9	177.3	-177.7	0	0	111.7	Q194 F346 A347 R352	Q194-E350 VanDerWaalsContact CG-O 3.28Å; Q194-E350 WeakPolarHBondContact CG-O 3.38Å; F346-E350 WeakPolarHBondContact CB-OE2 3.5Å; F346-E350 HydrophobicContact CD2-CB 4.32Å; A347-E350 HydrophobicContact CB-CB 4.25Å; A347-E350 VanDerWaalsContact O-CB 3.31Å; A347-E350 WeakPolarHBondContact O-CB 3.34Å; A347-E350 PolarHBondContact O-N 3.5Å; A347-E350 VanDerWaalsContact O-N 3.12Å; E350-R352 VanDerWaalsContact CD-NH2 3.29Å; E350-R352 HydrophobicContact CG-CG 3.99Å; E350-R352 PolarHBondContact O-N 3.33Å; E350-R352 VanDerWaalsContact OE1-CD 3.31Å; E350-R352 WeakPolarHBondContact OE1-CD 3.24Å; E350-R352 IonicContact OE1-CZ 3.3Å; E350-R352 IonicContact OE1-NE 3Å; E350-R352 PolarHBondContact OE1-NE 2.96Å; E350-R352 IonicContact OE1-NH1 3.99Å; E350-R352 PolarHBondContact OE1-NH1 3.49Å; E350-R352 IonicContact OE1-NH2 2.71Å; E350-R352 PolarHBondContact OE1-NH2 3.37Å; E350-R352 VanDerWaalsContact OE1-NH2 3.09Å; E350-R352 IonicContact OE2-CZ 2.79Å; E350-R352 IonicContact OE2-NE 3.53Å; E350-R352 PolarHBondContact OE2-NE 3.01Å; E350-R352 IonicContact OE2-NH2 3.37Å; E350-R352 PolarHBondContact OE2-NH2 3.5Å
351	P	96.4	Very high	96.7	Very high	86 Å²	86	42.8 Å²	42.8	56%	0.558	24%	0.241	S	C	*	.	S	Bend	trans	-79.1	55.6	-170.9	35.3	-38.5	0	0	0	112.8
352	R	96.2	Very high	96.3	Very high	73 Å²	73	46.2 Å²	46.2	28%	0.275	27%	0.265	S	S	.	.			trans	-139.6	162.5	173.9	68.8	-175.5	-177.1	-179.3	-14.8	110.5	F346 E350 F374	F346-R352 HydrophobicContact CD2-CG 4.1Å; F346-R352 HydrophobicContact CE2-CG 3.87Å; E350-R352 VanDerWaalsContact CD-NH2 3.29Å; E350-R352 HydrophobicContact CG-CG 3.99Å; E350-R352 PolarHBondContact O-N 3.33Å; E350-R352 VanDerWaalsContact OE1-CD 3.31Å; E350-R352 WeakPolarHBondContact OE1-CD 3.24Å; E350-R352 IonicContact OE1-CZ 3.3Å; E350-R352 IonicContact OE1-NE 3Å; E350-R352 PolarHBondContact OE1-NE 2.96Å; E350-R352 IonicContact OE1-NH1 3.99Å; E350-R352 PolarHBondContact OE1-NH1 3.49Å; E350-R352 IonicContact OE1-NH2 2.71Å; E350-R352 PolarHBondContact OE1-NH2 3.37Å; E350-R352 VanDerWaalsContact OE1-NH2 3.09Å; E350-R352 IonicContact OE2-CZ 2.79Å; E350-R352 IonicContact OE2-NE 3.53Å; E350-R352 PolarHBondContact OE2-NE 3.01Å; E350-R352 IonicContact OE2-NH2 3.37Å; E350-R352 PolarHBondContact OE2-NH2 3.5Å; R352-F374 HydrophobicContact CG-CD1 4.04Å; R352-F374 VanDerWaalsContact CZ-CE1 3.45Å; R352-F374 VanDerWaalsContact NE-CD1 3.3Å
353	L	97.4	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	160.1	170.6	54.3	75.6	0	0	0	109.9	L196 V290 C291 F374 A375 V378 V407 V409	L196-L353 HydrophobicContact CD2-CB 3.88Å; L196-L353 HydrophobicContact CD2-CD2 4.17Å; V290-L353 HydrophobicContact CG1-CB 4.01Å; V290-L353 HydrophobicContact CG1-CD1 3.85Å; V290-L353 HydrophobicContact CG1-CD2 3.93Å; V290-L353 HydrophobicContact CG1-CG 4.14Å; C291-L353 VanDerWaalsContact O-CA 3.32Å; C291-L353 WeakPolarHBondContact O-CA 3.3Å; C291-L353 WeakPolarHBondContact O-CB 3.32Å; L353-F374 WeakPolarHBondContact O-CA 3.22Å; L353-A375 HydrophobicContact CD1-CB 3.71Å; L353-A375 WeakPolarHBondContact CG-O 3.35Å; L353-A375 PolarHBondContact N-O 2.87Å; L353-A375 PolarHBondContact O-N 2.91Å; L353-V378 HydrophobicContact CD1-CG2 3.66Å; L353-V407 HydrophobicContact CD2-CB 4.5Å; L353-V407 HydrophobicContact CD2-CG1 4.06Å; L353-V409 HydrophobicContact CB-CG1 4.48Å
354	F	98.4	Very high	95.4	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.3	173.8	177.4	-96.1	0	0	0	109	V290 C291 L344 F346 R372 G373 F374	V290-F354 CarbonylContact C-O 3.52Å; V290-F354 WeakPolarHBondContact CA-O 3.42Å; C291-F354 PolarHBondContact N-O 3.31Å; C291-F354 PolarHBondContact O-N 3.4Å; L344-F354 HydrophobicContact CD2-CZ 4.22Å; F346-F354 HydrophobicContact CE1-CB 3.7Å; F346-F354 HydrophobicContact CZ-CB 4Å; F354-R372 HydrophobicContact CE1-CB 4.43Å; F354-R372 HydrophobicContact CE2-CB 4.34Å; F354-R372 HydrophobicContact CE2-CG 4.35Å; F354-R372 HydrophobicContact CZ-CB 3.9Å; F354-R372 HydrophobicContact CZ-CG 3.97Å; F354-G373 WeakPolarHBondContact CA-O 3.45Å; F354-F374 HydrophobicContact CB-CD1 4.09Å; F354-F374 HydrophobicContact CB-CE1 4.05Å; F354-F374 HydrophobicContact CD2-CD1 4.03Å; F354-F374 HydrophobicContact CD2-CD2 4.46Å; F354-F374 AromaticContact CD2-CE1 3.87Å; F354-F374 HydrophobicContact CD2-CE1 3.87Å; F354-F374 HydrophobicContact CD2-CE2 4.3Å; F354-F374 HydrophobicContact CD2-CG 4.33Å; F354-F374 HydrophobicContact CD2-CZ 4.01Å; F354-F374 HydrophobicContact CG-CE1 4.38Å
355	Y	98.1	Very high	94.6	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.7	177.3	77.8	-87.8	0	0	0	110.7	I273 V275 L288 S289 R370 R372 G373 A375 V378	I273-Y355 HydrophobicContact CD1-CD2 4.22Å; V275-Y355 HydrophobicContact CB-CE1 4.47Å; V275-Y355 HydrophobicContact CG1-CD1 4.28Å; V275-Y355 HydrophobicContact CG1-CE1 3.78Å; V275-Y355 HydrophobicContact CG2-CD1 4.31Å; V275-Y355 HydrophobicContact CG2-CE1 3.88Å; V275-Y355 HydrophobicContact CG2-CE2 4.23Å; L288-Y355 HydrophobicContact CD1-CD2 4.35Å; S289-Y355 CarbonylContact O-C 3.55Å; S289-Y355 WeakPolarHBondContact O-CA 3.32Å; Y355-R370 VanDerWaalsContact OH-CB 3.31Å; Y355-R370 WeakPolarHBondContact OH-CB 3.48Å; Y355-R372 CarbonylContact O-C 3.55Å; Y355-R372 WeakPolarHBondContact O-CA 3.08Å; Y355-R372 WeakPolarHBondContact O-CB 3.05Å; Y355-G373 WeakPolarHBondContact CD1-O 3.42Å; Y355-G373 WeakPolarHBondContact CE1-O 3.29Å; Y355-G373 PolarHBondContact N-O 2.79Å; Y355-G373 PolarHBondContact O-N 2.84Å; Y355-A375 HydrophobicContact CD1-CB 4.29Å; Y355-V378 HydrophobicContact CD1-CG2 4.24Å; Y355-V378 HydrophobicContact CG-CG2 4.29Å
356	S	97.8	Very high	94.1	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	114.8	179.9	-174	0	0	0	0	110.7	S289 N304 Q371	S289-S356 PolarHBondContact N-O 3.48Å; S289-S356 PolarHBondContact O-N 3.36Å; N304-S356 PolarHBondContact ND2-OG 3.35Å; N304-S356 PolarHBondContact OD1-OG 3.08Å; S356-Q371 CarbonylContact C-O 3.58Å
357	V	97.3	Very high	93.1	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.4	169.2	178.8	0	0	0	0	108.4	Y271 L288 P360 Q371	Y271-V357 WeakPolarHBondContact OH-CG1 3.39Å; L288-V357 HydrophobicContact CD1-CG2 3.9Å; V357-P360 HydrophobicContact CG1-CB 3.84Å; V357-P360 HydrophobicContact CG1-CG 4.4Å; V357-Q371 WeakPolarHBondContact CB-O 3.44Å; V357-Q371 PolarHBondContact N-O 2.98Å
358	R	95.3	Very high	92.2	Very high	66 Å²	66	60.5 Å²	60.5	25%	0.249	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.3	-177.5	-69.2	-160.1	68.9	-119	-14.7	111.3	S285 S286 G287 I303	S285-R358 VanDerWaalsContact CB-O 3.24Å; S285-R358 WeakPolarHBondContact CB-O 3.3Å; S286-R358 PolarHBondContact N-O 3.44Å; G287-R358 PolarHBondContact O-N 3.03Å; I303-R358 HydrophobicContact CD1-CG 4.1Å
359	E	93.8	Very high	91.4	Very high	117 Å²	117	62.9 Å²	62.9	55%	0.547	33%	0.329	S	S	.	.	S	Bend	trans	52.1	59.7	174.9	-61.9	148	-159.7	0	0	112.5	S286 I361	S286-E359 WeakPolarHBondContact CB-OE2 3.37Å; S286-E359 PolarHBondContact OG-OE2 3.4Å; E359-I361 PolarHBondContact O-N 2.8Å
360	P	94.2	Very high	90.9	Very high	24 Å²	24	67 Å²	67	16%	0.156	34%	0.339	C	S	.	.			trans	-62.8	129.6	-177.6	24.5	-31.8	0	0	0	111.9	V357 S362 Q371	V357-P360 HydrophobicContact CG1-CB 3.84Å; V357-P360 HydrophobicContact CG1-CG 4.4Å; P360-S362 PolarHBondContact O-N 2.87Å; P360-Q371 HydrophobicContact CG-CB 4.47Å; P360-Q371 HydrophobicContact CG-CG 3.82Å
361	I	93.3	Very high	90.7	Very high	65 Å²	65	69.3 Å²	69.3	33%	0.333	35%	0.349	S	S	.	.			trans	-78.9	117.9	171.9	-62	174.2	0	0	0	108.1	A268 K284 E359 F366	A268-I361 HydrophobicContact CB-CD1 4.12Å; K284-I361 HydrophobicContact CB-CB 4.4Å; K284-I361 HydrophobicContact CB-CD1 4.47Å; K284-I361 HydrophobicContact CD-CD1 4.09Å; K284-I361 HydrophobicContact CG-CD1 4Å; K284-I361 WeakPolarHBondContact O-CB 3.45Å; K284-I361 PolarHBondContact O-N 3.29Å; E359-I361 PolarHBondContact O-N 2.8Å; I361-F366 WeakPolarHBondContact O-CB 3.44Å
362	S	89.3	Confident	90.6	Very high	82 Å²	82	69.3 Å²	69.3	57%	0.573	34%	0.338	S	S	*	.			trans	-110.3	120.3	177	-62.1	0	0	0	0	110.8	P360 F366	P360-S362 PolarHBondContact O-N 2.87Å; S362-F366 CarbonylContact C-O 3.16Å; S362-F366 WeakPolarHBondContact CA-O 3.24Å
363	N	88.6	Confident	90.6	Very high	84 Å²	84	66.4 Å²	66.4	45%	0.449	33%	0.331	S	S	.	.	S	Bend	trans	-155.3	-165.8	177.4	64.3	35.2	0	0	0	110.6	V365 F366	N363-V365 PolarHBondContact O-N 2.81Å; N363-V365 VanDerWaalsContact O-N 3.15Å; N363-V365 WeakPolarHBondContact OD1-CA 3.28Å; N363-V365 PolarHBondContact OD1-N 2.62Å; N363-F366 PolarHBondContact N-O 2.71Å; N363-F366 PolarHBondContact OD1-N 2.85Å
364	R	85.6	Confident	90.6	Very high	246 Å²	246	70.2 Å²	70.2	93%	0.928	35%	0.348	S	S	*	.	S	Bend	trans	-59.4	-25.4	179.7	-169.3	179.4	71.1	128.5	-0.5	114
365	V	80.6	Confident	90.6	Very high	89 Å²	89	70.1 Å²	70.1	54%	0.539	35%	0.349	S	S	.	.	S	Bend	trans	-103.2	-38	-173.8	-178.4	0	0	0	0	111.7	N363	N363-V365 PolarHBondContact O-N 2.81Å; N363-V365 VanDerWaalsContact O-N 3.15Å; N363-V365 WeakPolarHBondContact OD1-CA 3.28Å; N363-V365 PolarHBondContact OD1-N 2.62Å
366	F	85.6	Confident	90.5	Very high	24 Å²	24	72.9 Å²	72.9	11%	0.105	37%	0.37	C	S	.	.			trans	-111.7	129.4	-177.9	-58.6	-70.9	0	0	0	110.2	Y270 K282 K284 I361 S362 N363	Y270-F366 AromaticContact CD2-CE1 3.78Å; Y270-F366 HydrophobicContact CD2-CE1 3.78Å; Y270-F366 HydrophobicContact CD2-CZ 4.35Å; Y270-F366 AromaticContact CE2-CE1 3.6Å; Y270-F366 HydrophobicContact CE2-CE1 3.6Å; Y270-F366 HydrophobicContact CE2-CZ 4.32Å; K282-F366 HydrophobicContact CB-CD1 4.34Å; K282-F366 HydrophobicContact CB-CE1 4.5Å; K284-F366 HydrophobicContact CB-CD1 3.73Å; K284-F366 HydrophobicContact CB-CD2 3.93Å; K284-F366 HydrophobicContact CB-CE1 3.81Å; K284-F366 HydrophobicContact CB-CE2 4.01Å; K284-F366 HydrophobicContact CB-CG 3.79Å; K284-F366 HydrophobicContact CB-CZ 3.95Å; K284-F366 HydrophobicContact CD-CD2 4.21Å; K284-F366 HydrophobicContact CD-CE2 3.67Å; K284-F366 HydrophobicContact CD-CZ 3.87Å; K284-F366 HydrophobicContact CG-CE2 4.47Å; K284-F366 HydrophobicContact CG-CZ 4.44Å; I361-F366 WeakPolarHBondContact O-CB 3.44Å; S362-F366 CarbonylContact C-O 3.16Å; S362-F366 WeakPolarHBondContact CA-O 3.24Å; N363-F366 PolarHBondContact N-O 2.71Å; N363-F366 PolarHBondContact OD1-N 2.85Å
367	S	78.3	Confident	90.5	Very high	83 Å²	83	76.6 Å²	76.6	58%	0.58	39%	0.386	S	S	*	.			trans	-137.5	140.5	172	60.1	0	0	0	0	108.3	Q283	Q283-S367 PolarHBondContact NE2-O 2.82Å
368	S	79	Confident	90.5	Very high	22 Å²	22	76.3 Å²	76.3	15%	0.154	38%	0.384	C	S	.	.			trans	-108.3	104.6	174.2	-174.8	0	0	0	0	107.6	R370	S368-R370 PolarHBondContact O-N 3.14Å; S368-R370 PolarHBondContact OG-O 2.81Å
369	S	80.4	Confident	90.7	Very high	80 Å²	80	73.8 Å²	73.8	56%	0.559	38%	0.376	S	S	*	.	S	Bend	trans	-63.6	-36.4	178.1	70.6	0	0	0	0	110.6	E281	E281-S369 WeakPolarHBondContact OE1-CB 3.49Å; E281-S369 PolarHBondContact OE1-OG 3.45Å; E281-S369 PolarHBondContact OE2-OG 3.29Å
370	R	86.9	Confident	90.8	Very high	170 Å²	170	68.2 Å²	68.2	64%	0.642	35%	0.35	S	S	*	.			trans	-143.2	119.4	174.8	-68.8	-174	179.6	-168.9	-0.4	110.3	Y355 S368 R372	Y355-R370 VanDerWaalsContact OH-CB 3.31Å; Y355-R370 WeakPolarHBondContact OH-CB 3.48Å; S368-R370 PolarHBondContact O-N 3.14Å; S368-R370 PolarHBondContact OG-O 2.81Å; R370-R372 VanDerWaalsContact C-N 3.26Å; R370-R372 PolarHBondContact O-N 3.45Å
371	Q	91.9	Very high	91	Very high	111 Å²	111	70 Å²	70	52%	0.519	35%	0.354	S	S	.	.	S	Bend	trans	-70.6	-26	177.2	-53.9	-169.6	-2.8	0	0	112.2	S356 V357 P360	S356-Q371 CarbonylContact C-O 3.58Å; V357-Q371 WeakPolarHBondContact CB-O 3.44Å; V357-Q371 PolarHBondContact N-O 2.98Å; P360-Q371 HydrophobicContact CG-CB 4.47Å; P360-Q371 HydrophobicContact CG-CG 3.82Å
372	R	95.5	Very high	91.2	Very high	85 Å²	85	67 Å²	67	32%	0.321	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	164.9	179.8	66.5	-162.1	180	-170.1	-8.8	111.4	N304 Y340 F354 Y355 R370	N304-R372 PolarHBondContact O-NH1 3.46Å; N304-R372 WeakPolarHBondContact OD1-CD 3.34Å; N304-R372 PolarHBondContact OD1-NH1 2.81Å; N304-R372 VanDerWaalsContact OD1-NH1 3.1Å; Y340-R372 VanDerWaalsContact CZ-NH2 3.35Å; Y340-R372 PolarHBondContact OH-NH1 2.91Å; Y340-R372 PolarHBondContact OH-NH2 2.82Å; F354-R372 HydrophobicContact CE1-CB 4.43Å; F354-R372 HydrophobicContact CE2-CB 4.34Å; F354-R372 HydrophobicContact CE2-CG 4.35Å; F354-R372 HydrophobicContact CZ-CB 3.9Å; F354-R372 HydrophobicContact CZ-CG 3.97Å; Y355-R372 CarbonylContact O-C 3.55Å; Y355-R372 WeakPolarHBondContact O-CA 3.08Å; Y355-R372 WeakPolarHBondContact O-CB 3.05Å; R370-R372 VanDerWaalsContact C-N 3.26Å; R370-R372 PolarHBondContact O-N 3.45Å
373	G	96.1	Very high	91.5	Very high	13 Å²	13	67.6 Å²	67.6	13%	0.134	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	170.8	174.2	0	0	0	0	0	113.3	F354 Y355	F354-G373 WeakPolarHBondContact CA-O 3.45Å; Y355-G373 WeakPolarHBondContact CD1-O 3.42Å; Y355-G373 WeakPolarHBondContact CE1-O 3.29Å; Y355-G373 PolarHBondContact N-O 2.79Å; Y355-G373 PolarHBondContact O-N 2.84Å
374	F	97.5	Very high	91.8	Very high	79 Å²	79	63.8 Å²	63.8	35%	0.346	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	144.1	168.7	-65.8	-74.9	0	0	0	110.5	F346 R352 L353 F354	F346-F374 HydrophobicContact CB-CE1 4.34Å; F346-F374 AromaticContact CD1-CE1 3.62Å; F346-F374 HydrophobicContact CD1-CE1 3.62Å; F346-F374 HydrophobicContact CD1-CZ 4.21Å; F346-F374 HydrophobicContact CD2-CE1 4.29Å; F346-F374 AromaticContact CE1-CE1 3.83Å; F346-F374 HydrophobicContact CE1-CE1 3.83Å; F346-F374 HydrophobicContact CE2-CE1 4.46Å; F346-F374 AromaticContact CG-CE1 3.85Å; F346-F374 HydrophobicContact CG-CE1 3.85Å; F346-F374 HydrophobicContact CG-CZ 4.47Å; F346-F374 HydrophobicContact CZ-CE1 4.24Å; R352-F374 HydrophobicContact CG-CD1 4.04Å; R352-F374 VanDerWaalsContact CZ-CE1 3.45Å; R352-F374 VanDerWaalsContact NE-CD1 3.3Å; L353-F374 WeakPolarHBondContact O-CA 3.22Å; F354-F374 HydrophobicContact CB-CD1 4.09Å; F354-F374 HydrophobicContact CB-CE1 4.05Å; F354-F374 HydrophobicContact CD2-CD1 4.03Å; F354-F374 HydrophobicContact CD2-CD2 4.46Å; F354-F374 AromaticContact CD2-CE1 3.87Å; F354-F374 HydrophobicContact CD2-CE1 3.87Å; F354-F374 HydrophobicContact CD2-CE2 4.3Å; F354-F374 HydrophobicContact CD2-CG 4.33Å; F354-F374 HydrophobicContact CD2-CZ 4.01Å; F354-F374 HydrophobicContact CG-CE1 4.38Å
375	A	97.2	Very high	92	Very high	8 Å²	8	62 Å²	62	7%	0.066	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	167.7	175.6	0	0	0	0	0	111	V275 D276 L353 Y355 V378	V275-A375 HydrophobicContact CG1-CB 3.45Å; V275-A375 VanDerWaalsContact CG1-CB 3.45Å; D276-A375 WeakPolarHBondContact OD2-CA 3.27Å; D276-A375 WeakPolarHBondContact OD2-CB 3.26Å; L353-A375 HydrophobicContact CD1-CB 3.71Å; L353-A375 WeakPolarHBondContact CG-O 3.35Å; L353-A375 PolarHBondContact N-O 2.87Å; L353-A375 PolarHBondContact O-N 2.91Å; Y355-A375 HydrophobicContact CD1-CB 4.29Å; A375-V378 HydrophobicContact CB-CG2 4.27Å
376	S	95.9	Very high	92.4	Very high	70 Å²	70	59.5 Å²	59.5	49%	0.49	29%	0.285	S	S	.	.	S	Bend	trans	-95.9	-29	170.4	69.9	0	0	0	0	112.2	D276	D276-S376 WeakPolarHBondContact OD1-CA 3.38Å; D276-S376 WeakPolarHBondContact OD1-CB 3.28Å; D276-S376 PolarHBondContact OD1-N 3.49Å; D276-S376 PolarHBondContact OD1-OG 3.47Å
377	K	97.7	Very high	92.8	Very high	85 Å²	85	58.3 Å²	58.3	37%	0.37	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.3	-176.5	178.7	177.2	173.9	-179.2	0	111.1	D276 C379 T406 V407 T408	D276-K377 PolarHBondContact N-O 2.84Å; D276-K377 PolarHBondContact OD1-N 2.8Å; K377-C379 WeakPolarHBondContact CE-SG 3.49Å; K377-T406 HydrophobicContact CD-CG2 4.42Å; K377-T406 HydrophobicContact CG-CG2 4.34Å; K377-V407 WeakPolarHBondContact CA-O 3.04Å; K377-T408 HydrophobicContact CB-CG2 4.09Å; K377-T408 HydrophobicContact CD-CG2 4.28Å; K377-T408 HydrophobicContact CG-CG2 3.84Å
378	V	98.3	Very high	93.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.5	171.4	171.2	0	0	0	0	109	I273 L288 V290 L353 Y355 A375 V380 V407	I273-V378 HydrophobicContact CD1-CG1 4.01Å; I273-V378 HydrophobicContact CG1-CG1 4.1Å; L288-V378 HydrophobicContact CD2-CG1 4.21Å; V290-V378 HydrophobicContact CG2-CG1 4.29Å; L353-V378 HydrophobicContact CD1-CG2 3.66Å; Y355-V378 HydrophobicContact CD1-CG2 4.24Å; Y355-V378 HydrophobicContact CG-CG2 4.29Å; A375-V378 HydrophobicContact CB-CG2 4.27Å; V378-V380 HydrophobicContact CG1-CG2 3.91Å; V378-V407 HydrophobicContact CB-CB 4.44Å; V378-V407 PolarHBondContact N-O 2.91Å; V378-V407 PolarHBondContact O-N 2.57Å
379	C	98.1	Very high	94.3	Very high	13 Å²	13	53.7 Å²	53.7	9%	0.088	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136	172.6	-69.6	0	0	0	0	109.6	I273 S274 W280 K377 A405 T406	I273-C379 CarbonylContact C-O 3.43Å; I273-C379 WeakPolarHBondContact CA-O 3.13Å; S274-C379 PolarHBondContact N-O 3.45Å; S274-C379 PolarHBondContact O-N 2.91Å; W280-C379 HydrophobicContact CH2-CB 3.55Å; W280-C379 HydrophobicContact CZ2-CB 3.99Å; W280-C379 HydrophobicContact CZ3-CB 4.24Å; K377-C379 WeakPolarHBondContact CE-SG 3.49Å; C379-A405 CarbonylContact C-O 3.54Å; C379-A405 VanDerWaalsContact CA-O 3.29Å; C379-A405 WeakPolarHBondContact CA-O 3.4Å; C379-T406 PolarHBondContact SG-OG1 2.88Å
380	V	97.8	Very high	95	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	-178.5	-171	0	0	0	0	108.4	I260 Y271 E272 L288 V378 F399 I404 A405	I260-V380 HydrophobicContact CD1-CB 4.26Å; I260-V380 HydrophobicContact CD1-CG1 4.47Å; I260-V380 HydrophobicContact CD1-CG2 4.09Å; Y271-V380 HydrophobicContact CD2-CG1 3.87Å; Y271-V380 HydrophobicContact CG-CG1 4.16Å; E272-V380 CarbonylContact O-C 3.53Å; E272-V380 WeakPolarHBondContact O-CA 3.23Å; L288-V380 HydrophobicContact CD2-CG2 3.37Å; V378-V380 HydrophobicContact CG1-CG2 3.91Å; V380-F399 HydrophobicContact CB-CE1 4.43Å; V380-F399 HydrophobicContact CB-CZ 4.33Å; V380-F399 HydrophobicContact CG1-CE1 4.04Å; V380-F399 HydrophobicContact CG1-CZ 4.41Å; V380-I404 CarbonylContact O-C 3.25Å; V380-I404 VanDerWaalsContact O-CA 3.23Å; V380-I404 WeakPolarHBondContact O-CA 3.27Å; V380-A405 PolarHBondContact N-O 3.16Å; V380-A405 PolarHBondContact O-N 3.34Å
381	R	97.4	Very high	95.5	Very high	62 Å²	62	43.2 Å²	43.2	23%	0.234	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119	171.3	177.3	-177.3	-63.4	123.1	3.7	108.6	Y271 E272 W280 A403 I404	Y271-R381 CarbonylContact C-O 3.56Å; Y271-R381 VanDerWaalsContact CA-O 3.26Å; Y271-R381 WeakPolarHBondContact CA-O 3.23Å; Y271-R381 VanDerWaalsContact CB-O 3.27Å; Y271-R381 WeakPolarHBondContact CB-O 3.39Å; E272-R381 HydrophobicContact CB-CB 4.29Å; E272-R381 PolarHBondContact N-O 3.2Å; E272-R381 PolarHBondContact O-N 2.87Å; E272-R381 IonicContact OE2-CZ 2.77Å; E272-R381 IonicContact OE2-NH1 2.88Å; E272-R381 PolarHBondContact OE2-NH1 3.32Å; W280-R381 HydrophobicContact CH2-CB 4.26Å; W280-R381 HydrophobicContact CZ3-CB 3.89Å; R381-A403 CarbonylContact C-O 3.58Å; R381-A403 WeakPolarHBondContact CA-O 3.4Å; R381-I404 HydrophobicContact CB-CG1 4.09Å; R381-I404 HydrophobicContact CG-CG1 3.98Å
382	S	97.4	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.2	179.4	-168.6	0	0	0	0	111.5	C384 F399 N400 G402 A403	S382-C384 WeakPolarHBondContact OG-CB 3.24Å; S382-C384 PolarHBondContact OG-N 2.68Å; S382-C384 VanDerWaalsContact OG-N 3.13Å; S382-F399 VanDerWaalsContact CB-O 3.23Å; S382-F399 WeakPolarHBondContact CB-O 3.43Å; S382-F399 PolarHBondContact OG-O 3.22Å; S382-N400 VanDerWaalsContact CB-O 3.23Å; S382-N400 WeakPolarHBondContact CB-O 3.47Å; S382-N400 PolarHBondContact OG-O 2.82Å; S382-G402 PolarHBondContact O-N 2.88Å; S382-A403 PolarHBondContact N-O 3.13Å
383	R	96.1	Very high	95.5	Very high	95 Å²	95	36.6 Å²	36.6	36%	0.358	18%	0.183	S	C	.	.			trans	-119.6	18.3	161.2	-54.9	-64.2	-170.1	-179.2	-1.1	110.8	Y270 E272 D401	Y270-R383 HydrophobicContact CD1-CB 3.33Å; Y270-R383 HydrophobicContact CD1-CG 3.99Å; Y270-R383 HydrophobicContact CD2-CB 4.25Å; Y270-R383 HydrophobicContact CD2-CG 4.43Å; Y270-R383 HydrophobicContact CE1-CB 3.69Å; Y270-R383 HydrophobicContact CE1-CG 3.85Å; Y270-R383 HydrophobicContact CE2-CG 4.28Å; Y270-R383 HydrophobicContact CG-CB 3.64Å; Y270-R383 HydrophobicContact CG-CG 4.27Å; Y270-R383 CarbonylContact O-C 3.24Å; Y270-R383 VanDerWaalsContact O-C 3.24Å; Y270-R383 VanDerWaalsContact O-CA 3.25Å; Y270-R383 WeakPolarHBondContact O-CA 3.41Å; Y270-R383 VanDerWaalsContact O-CB 3.27Å; Y270-R383 WeakPolarHBondContact O-CB 3.32Å; Y270-R383 PolarHBondContact O-N 3.21Å; E272-R383 IonicContact OE1-CZ 2.96Å; E272-R383 IonicContact OE1-NE 3.87Å; E272-R383 PolarHBondContact OE1-NE 3.07Å; E272-R383 IonicContact OE1-NH2 3.97Å; E272-R383 PolarHBondContact OE1-NH2 2.96Å; E272-R383 IonicContact OE2-NH2 3.94Å; R383-D401 WeakPolarHBondContact CA-OD1 3.21Å; R383-D401 WeakPolarHBondContact CD-OD1 3.25Å; R383-D401 IonicContact NH1-OD1 2.89Å
384	C	94.9	Very high	95	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.027	18%	0.18	C	C	.	.			trans	-86.2	158.2	-176.8	-64.6	0	0	0	0	110.8	E262 Y270 S382 A387 N400 D401	E262-C384 HydrophobicContact CG-CB 4.17Å; E262-C384 VanDerWaalsContact OE1-CA 3.26Å; E262-C384 WeakPolarHBondContact OE1-CA 3.31Å; E262-C384 VanDerWaalsContact OE1-CB 3.22Å; E262-C384 WeakPolarHBondContact OE1-CB 3.4Å; Y270-C384 PolarHBondContact N-SG 3.01Å; Y270-C384 VanDerWaalsContact N-SG 3.4Å; Y270-C384 PolarHBondContact O-N 3.33Å; Y270-C384 PolarHBondContact O-SG 3.49Å; S382-C384 WeakPolarHBondContact OG-CB 3.24Å; S382-C384 PolarHBondContact OG-N 2.68Å; S382-C384 VanDerWaalsContact OG-N 3.13Å; C384-A387 HydrophobicContact CB-CB 3.28Å; C384-N400 CarbonylContact O-C 3.58Å; C384-D401 WeakPolarHBondContact O-CA 3.24Å; C384-D401 PolarHBondContact O-N 2.78Å
385	W	89.3	Confident	94.7	Very high	208 Å²	208	33.5 Å²	33.5	79%	0.788	17%	0.17	S	C	*	.	S	Bend	trans	-94.8	-45.6	-178.8	179	-94.3	0	0	0	113.3	E262 N400	E262-W385 PolarHBondContact OE1-N 3.46Å; W385-N400 PolarHBondContact O-OD1 2.85Å
386	D	89.5	Confident	94.5	Very high	37 Å²	37	33.1 Å²	33.1	20%	0.198	17%	0.167	C	C	.	.	S	Bend	trans	-133.7	64.3	-177.5	-171.5	30.6	0	0	0	108.3	N223 E262 S263 N400	N223-D386 PolarHBondContact ND2-OD2 3.27Å; E262-D386 PolarHBondContact OE2-N 2.92Å; E262-D386 VanDerWaalsContact OE2-N 3.13Å; S263-D386 WeakPolarHBondContact CB-O 3.24Å; S263-D386 PolarHBondContact N-O 3.17Å; S263-D386 PolarHBondContact OG-O 3.32Å; S263-D386 VanDerWaalsContact OG-O 3.1Å; D386-N400 WeakPolarHBondContact CA-OD1 3.34Å
387	A	93	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.5	-176.2	0	0	0	0	0	112.5	G261 C384 F399 N400	G261-A387 CarbonylContact O-C 3.56Å; G261-A387 WeakPolarHBondContact O-CA 3.23Å; G261-A387 WeakPolarHBondContact O-CB 3.21Å; C384-A387 HydrophobicContact CB-CB 3.28Å; A387-F399 WeakPolarHBondContact CB-O 3.34Å; A387-F399 CarbonylContact O-C 3.59Å; A387-F399 PolarHBondContact O-N 3.36Å; A387-N400 PolarHBondContact N-OD1 3.21Å; A387-N400 PolarHBondContact O-OD1 3.36Å
388	C	94.3	Very high	94	Very high	7 Å²	7	27 Å²	27	5%	0.047	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	177.6	-69.8	0	0	0	0	110.7	H222 I260 G261 S263 V390 S396 F397	H222-C388 PolarHBondContact NE2-SG 3.4Å; I260-C388 WeakPolarHBondContact CA-O 3.27Å; G261-C388 PolarHBondContact N-O 3.1Å; G261-C388 PolarHBondContact O-N 3.3Å; S263-C388 PolarHBondContact OG-SG 3.39Å; C388-V390 HydrophobicContact CB-CG2 4.37Å; C388-S396 WeakPolarHBondContact CB-OG 3.23Å; C388-F397 CarbonylContact C-O 3.52Å; C388-F397 VanDerWaalsContact CA-O 3.3Å; C388-F397 WeakPolarHBondContact CA-O 3.36Å
389	M	95.4	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.2	161.6	178	174.8	68.9	0	0	108.4	L198 L200 L250 I258 F259 I260 S396 F397 F399 A405	L198-M389 HydrophobicContact CD1-CE 4.05Å; L198-M389 HydrophobicContact CD1-SD 4.39Å; L198-M389 HydrophobicContact CD2-SD 4.32Å; L200-M389 HydrophobicContact CD1-CE 4.08Å; L200-M389 HydrophobicContact CD2-CE 3.69Å; L200-M389 HydrophobicContact CD2-SD 4.42Å; L200-M389 HydrophobicContact CG-CE 4.09Å; L250-M389 HydrophobicContact CD1-CE 3.47Å; L250-M389 VanDerWaalsContact CD1-CE 3.47Å; I258-M389 HydrophobicContact CD1-SD 4.15Å; F259-M389 CarbonylContact O-C 3.52Å; F259-M389 VanDerWaalsContact O-CA 3.28Å; F259-M389 WeakPolarHBondContact O-CA 3.16Å; I260-M389 HydrophobicContact CD1-CG 4.3Å; I260-M389 HydrophobicContact CD1-SD 4.12Å; I260-M389 HydrophobicContact CG1-CB 4.09Å; I260-M389 HydrophobicContact CG1-CG 3.81Å; I260-M389 HydrophobicContact CG1-SD 4.3Å; M389-S396 WeakPolarHBondContact O-CA 3.21Å; M389-F397 HydrophobicContact CE-CB 4.38Å; M389-F397 HydrophobicContact CE-CD2 4.16Å; M389-F397 HydrophobicContact CE-CG 4.46Å; M389-F397 PolarHBondContact N-O 2.96Å; M389-F397 PolarHBondContact O-N 2.86Å; M389-F399 HydrophobicContact CB-CB 4.24Å; M389-F399 HydrophobicContact CB-CG 4.41Å; M389-A405 HydrophobicContact SD-CB 4.18Å
390	V	95.4	Very high	93.6	Very high	28 Å²	28	27.9 Å²	27.9	17%	0.17	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.9	-178.9	-176.5	0	0	0	0	109.7	L212 I258 F259 C388 T395	L212-V390 HydrophobicContact CD1-CG1 3.75Å; L212-V390 HydrophobicContact CD1-CG2 4.24Å; I258-V390 CarbonylContact C-O 3.55Å; I258-V390 VanDerWaalsContact CA-O 3.23Å; I258-V390 WeakPolarHBondContact CA-O 3.38Å; F259-V390 PolarHBondContact N-O 3.14Å; F259-V390 PolarHBondContact O-N 3.35Å; C388-V390 HydrophobicContact CB-CG2 4.37Å; V390-T395 CarbonylContact C-O 3.58Å; V390-T395 WeakPolarHBondContact CA-O 3.46Å
391	V	96.3	Very high	93.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.9	-179.6	179.7	0	0	0	0	109.4	L198 V252 I258 G393 G394 T395 F397	L198-V391 HydrophobicContact CD1-CG2 3.51Å; V252-V391 HydrophobicContact CG2-CG1 4.34Å; V252-V391 HydrophobicContact CG2-CG2 4.37Å; I258-V391 HydrophobicContact CG2-CG2 4.02Å; V391-G393 PolarHBondContact O-N 3.02Å; V391-G394 PolarHBondContact O-N 3.15Å; V391-T395 PolarHBondContact N-O 2.85Å; V391-T395 PolarHBondContact O-N 2.96Å; V391-F397 HydrophobicContact CG2-CD2 4.17Å; V391-F397 HydrophobicContact CG2-CE2 3.87Å
392	D	96	Very high	93.2	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.07	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	26.4	178.3	-67.9	-15.1	0	0	0	114.3	L139 S254 L255 N256 E257 G394	L139-D392 HydrophobicContact CB-CB 4.16Å; L139-D392 HydrophobicContact CD1-CB 4.22Å; L139-D392 HydrophobicContact CD2-CB 4.35Å; L139-D392 HydrophobicContact CG-CB 4.46Å; S254-D392 WeakPolarHBondContact CA-OD2 3.06Å; S254-D392 WeakPolarHBondContact CB-OD1 3.42Å; S254-D392 PolarHBondContact OG-OD1 2.95Å; L255-D392 PolarHBondContact N-OD1 3.09Å; L255-D392 PolarHBondContact N-OD2 2.71Å; N256-D392 PolarHBondContact N-OD1 2.63Å; E257-D392 PolarHBondContact N-OD1 2.89Å; E257-D392 PolarHBondContact O-N 2.83Å; D392-G394 PolarHBondContact O-N 3.2Å; D392-G394 VanDerWaalsContact O-N 3.09Å
393	G	91	Very high	93.1	Very high	44 Å²	44	29.5 Å²	29.5	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-3.7	-175.4	0	0	0	0	0	115.5	V391	V391-G393 PolarHBondContact O-N 3.02Å
394	G	86.8	Confident	93.1	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-29.6	-170.5	0	0	0	0	0	115.6	L212 V391 D392	L212-G394 PolarHBondContact N-O 3.26Å; V391-G394 PolarHBondContact O-N 3.15Å; D392-G394 PolarHBondContact O-N 3.2Å; D392-G394 VanDerWaalsContact O-N 3.09Å
395	T	90.8	Very high	93.2	Very high	21 Å²	21	26 Å²	26	13%	0.129	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	-175.2	-56.5	0	0	0	0	111.1	P209 V390 V391 F397	P209-T395 HydrophobicContact CB-CG2 3.37Å; V390-T395 CarbonylContact C-O 3.58Å; V390-T395 WeakPolarHBondContact CA-O 3.46Å; V391-T395 PolarHBondContact N-O 2.85Å; V391-T395 PolarHBondContact O-N 2.96Å; T395-F397 HydrophobicContact CG2-CD2 4.49Å; T395-F397 HydrophobicContact CG2-CE2 3.66Å; T395-F397 HydrophobicContact CG2-CZ 3.78Å
396	S	92.4	Very high	93.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.4	-179.4	-170.6	0	0	0	0	112.4	V210 H226 C388 M389	V210-S396 PolarHBondContact N-O 3.29Å; V210-S396 PolarHBondContact O-N 3.11Å; H226-S396 PolarHBondContact NE2-OG 3.42Å; C388-S396 WeakPolarHBondContact CB-OG 3.23Å; M389-S396 WeakPolarHBondContact O-CA 3.21Å
397	F	92.1	Very high	94	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	171.7	-59.7	-89.1	0	0	0	109.7	L200 P207 P209 L250 V252 C388 M389 V391 T395	L200-F397 HydrophobicContact CD1-CB 4.29Å; P207-F397 WeakPolarHBondContact O-CE1 3.42Å; P209-F397 HydrophobicContact CB-CE1 3.78Å; P209-F397 HydrophobicContact CB-CZ 3.85Å; P209-F397 HydrophobicContact CG-CE1 4.49Å; L250-F397 HydrophobicContact CD1-CD1 4.08Å; L250-F397 HydrophobicContact CD1-CD2 3.9Å; L250-F397 HydrophobicContact CD1-CE1 4.01Å; L250-F397 HydrophobicContact CD1-CE2 3.84Å; L250-F397 HydrophobicContact CD1-CG 4.03Å; L250-F397 HydrophobicContact CD1-CZ 3.9Å; L250-F397 HydrophobicContact CD2-CD1 4.22Å; L250-F397 HydrophobicContact CD2-CE1 4.05Å; V252-F397 HydrophobicContact CG2-CE2 3.81Å; V252-F397 HydrophobicContact CG2-CZ 3.72Å; C388-F397 CarbonylContact C-O 3.52Å; C388-F397 VanDerWaalsContact CA-O 3.3Å; C388-F397 WeakPolarHBondContact CA-O 3.36Å; M389-F397 HydrophobicContact CE-CB 4.38Å; M389-F397 HydrophobicContact CE-CD2 4.16Å; M389-F397 HydrophobicContact CE-CG 4.46Å; M389-F397 PolarHBondContact N-O 2.96Å; M389-F397 PolarHBondContact O-N 2.86Å; V391-F397 HydrophobicContact CG2-CD2 4.17Å; V391-F397 HydrophobicContact CG2-CE2 3.87Å; T395-F397 HydrophobicContact CG2-CD2 4.49Å; T395-F397 HydrophobicContact CG2-CE2 3.66Å; T395-F397 HydrophobicContact CG2-CZ 3.78Å
398	E	91.6	Very high	94.3	Very high	27 Å²	27	16.7 Å²	16.7	13%	0.126	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	137.2	172.8	-64	179.5	-150.2	0	0	110.5	N206 H226 T230	N206-E398 HydrophobicContact CB-CB 3.92Å; N206-E398 HydrophobicContact CB-CG 3.84Å; N206-E398 PolarHBondContact ND2-OE1 2.83Å; N206-E398 VanDerWaalsContact ND2-OE1 3.1Å; H226-E398 HydrophobicContact CB-CG 3.93Å; H226-E398 VanDerWaalsContact CB-OE1 3.25Å; H226-E398 WeakPolarHBondContact CB-OE1 3.46Å; H226-E398 IonicContact CG-OE1 2.83Å; H226-E398 VanDerWaalsContact ND1-CG 3.32Å; H226-E398 WeakPolarHBondContact ND1-CG 3.44Å; H226-E398 IonicContact ND1-OE1 2.97Å; T230-E398 PolarHBondContact OG1-OE1 2.94Å
399	F	93.4	Very high	94.4	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	53	-177.5	-158.4	-106.4	0	0	0	111.9	L200 I260 V380 S382 A387 M389 A403 A405	L200-F399 HydrophobicContact CD2-CD2 4.01Å; L200-F399 HydrophobicContact CD2-CE2 3.85Å; I260-F399 HydrophobicContact CD1-CE1 4.38Å; I260-F399 HydrophobicContact CG2-CD1 3.31Å; I260-F399 HydrophobicContact CG2-CE1 3.54Å; I260-F399 HydrophobicContact CG2-CG 4.22Å; V380-F399 HydrophobicContact CB-CE1 4.43Å; V380-F399 HydrophobicContact CB-CZ 4.33Å; V380-F399 HydrophobicContact CG1-CE1 4.04Å; V380-F399 HydrophobicContact CG1-CZ 4.41Å; S382-F399 VanDerWaalsContact CB-O 3.23Å; S382-F399 WeakPolarHBondContact CB-O 3.43Å; S382-F399 PolarHBondContact OG-O 3.22Å; A387-F399 WeakPolarHBondContact CB-O 3.34Å; A387-F399 CarbonylContact O-C 3.59Å; A387-F399 PolarHBondContact O-N 3.36Å; M389-F399 HydrophobicContact CB-CB 4.24Å; M389-F399 HydrophobicContact CB-CG 4.41Å; F399-A403 HydrophobicContact CD2-CB 3.66Å; F399-A403 HydrophobicContact CE2-CB 3.72Å; F399-A403 HydrophobicContact CG-CB 4.12Å; F399-A403 HydrophobicContact CZ-CB 4.27Å; F399-A405 HydrophobicContact CD2-CB 4.42Å; F399-A405 HydrophobicContact CE2-CB 3.41Å; F399-A405 VanDerWaalsContact CE2-CB 3.41Å; F399-A405 HydrophobicContact CZ-CB 3.54Å
400	N	93.8	Very high	94.4	Very high	30 Å²	30	19.1 Å²	19.1	16%	0.16	12%	0.123	C	C	.	.			trans	-84.4	179.6	-174.8	-64.6	-38.4	0	0	0	112.8	G204 S382 C384 W385 D386 A387 G402 A403	G204-N400 PolarHBondContact O-N 3.45Å; S382-N400 VanDerWaalsContact CB-O 3.23Å; S382-N400 WeakPolarHBondContact CB-O 3.47Å; S382-N400 PolarHBondContact OG-O 2.82Å; C384-N400 CarbonylContact O-C 3.58Å; W385-N400 PolarHBondContact O-OD1 2.85Å; D386-N400 WeakPolarHBondContact CA-OD1 3.34Å; A387-N400 PolarHBondContact N-OD1 3.21Å; A387-N400 PolarHBondContact O-OD1 3.36Å; N400-G402 PolarHBondContact O-N 3.44Å; N400-A403 WeakPolarHBondContact O-CB 3.46Å; N400-A403 PolarHBondContact O-N 3.1Å
401	D	94.4	Very high	94.3	Very high	82 Å²	82	23.6 Å²	23.6	44%	0.439	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	129.3	-173.4	-175.3	51.1	0	0	0	113.5	T203 R383 C384 A403	T203-D401 PolarHBondContact OG1-O 3.44Å; R383-D401 WeakPolarHBondContact CA-OD1 3.21Å; R383-D401 WeakPolarHBondContact CD-OD1 3.25Å; R383-D401 IonicContact NH1-OD1 2.89Å; C384-D401 WeakPolarHBondContact O-CA 3.24Å; C384-D401 PolarHBondContact O-N 2.78Å; D401-A403 VanDerWaalsContact C-N 3.3Å; D401-A403 PolarHBondContact O-N 3.44Å
402	G	92.8	Very high	94.2	Very high	14 Å²	14	29 Å²	29	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.4	-176.8	0	0	0	0	0	115.4	T203 S382 N400	T203-G402 PolarHBondContact N-O 2.93Å; T203-G402 CarbonylContact O-C 3.54Å; T203-G402 VanDerWaalsContact O-C 3.25Å; T203-G402 WeakPolarHBondContact OG1-CA 3.4Å; S382-G402 PolarHBondContact O-N 2.88Å; N400-G402 PolarHBondContact O-N 3.44Å
403	A	94.9	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.8	170.5	0	0	0	0	0	110.4	T203 I205 R381 S382 F399 N400 D401	T203-A403 WeakPolarHBondContact O-CA 3.35Å; T203-A403 WeakPolarHBondContact O-CB 3.42Å; T203-A403 PolarHBondContact O-N 2.83Å; I205-A403 HydrophobicContact CG2-CB 3.46Å; I205-A403 VanDerWaalsContact CG2-CB 3.46Å; R381-A403 CarbonylContact C-O 3.58Å; R381-A403 WeakPolarHBondContact CA-O 3.4Å; S382-A403 PolarHBondContact N-O 3.13Å; F399-A403 HydrophobicContact CD2-CB 3.66Å; F399-A403 HydrophobicContact CE2-CB 3.72Å; F399-A403 HydrophobicContact CG-CB 4.12Å; F399-A403 HydrophobicContact CZ-CB 4.27Å; N400-A403 WeakPolarHBondContact O-CB 3.46Å; N400-A403 PolarHBondContact O-N 3.1Å; D401-A403 VanDerWaalsContact C-N 3.3Å; D401-A403 PolarHBondContact O-N 3.44Å
404	I	96.6	Very high	94.6	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.118	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.4	176.5	-58.2	173.2	0	0	0	109	L200 E201 V380 R381	L200-I404 WeakPolarHBondContact CA-O 3.25Å; E201-I404 HydrophobicContact CG-CB 3.69Å; E201-I404 HydrophobicContact CG-CD1 4.39Å; E201-I404 HydrophobicContact CG-CG2 4.07Å; E201-I404 PolarHBondContact N-O 3.03Å; E201-I404 PolarHBondContact O-N 3.36Å; V380-I404 CarbonylContact O-C 3.25Å; V380-I404 VanDerWaalsContact O-CA 3.23Å; V380-I404 WeakPolarHBondContact O-CA 3.27Å; R381-I404 HydrophobicContact CB-CG1 4.09Å; R381-I404 HydrophobicContact CG-CG1 3.98Å
405	A	97.1	Very high	95.1	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.8	172.6	0	0	0	0	0	109.6	H199 L200 I260 C379 V380 M389 F399	H199-A405 CarbonylContact O-C 3.56Å; H199-A405 WeakPolarHBondContact O-CA 3.43Å; L200-A405 HydrophobicContact CD2-CB 3.82Å; I260-A405 HydrophobicContact CD1-CB 4.19Å; C379-A405 CarbonylContact C-O 3.54Å; C379-A405 VanDerWaalsContact CA-O 3.29Å; C379-A405 WeakPolarHBondContact CA-O 3.4Å; V380-A405 PolarHBondContact N-O 3.16Å; V380-A405 PolarHBondContact O-N 3.34Å; M389-A405 HydrophobicContact SD-CB 4.18Å; F399-A405 HydrophobicContact CD2-CB 4.42Å; F399-A405 HydrophobicContact CE2-CB 3.41Å; F399-A405 VanDerWaalsContact CE2-CB 3.41Å; F399-A405 HydrophobicContact CZ-CB 3.54Å
406	T	97.9	Very high	95.4	Very high	23 Å²	23	30.3 Å²	30.3	14%	0.141	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.9	166.9	-66.8	0	0	0	0	109.4	H199 K377 C379 T408	H199-T406 PolarHBondContact N-O 3.18Å; H199-T406 PolarHBondContact O-N 2.79Å; K377-T406 HydrophobicContact CD-CG2 4.42Å; K377-T406 HydrophobicContact CG-CG2 4.34Å; C379-T406 PolarHBondContact SG-OG1 2.88Å; T406-T408 HydrophobicContact CG2-CG2 4.16Å
407	V	98.4	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.5	-176.6	-167.1	0	0	0	0	108.7	L196 R197 L198 I258 V290 L353 K377 V378	L196-V407 HydrophobicContact CB-CG1 4.04Å; L196-V407 HydrophobicContact CD1-CG1 4.22Å; L196-V407 HydrophobicContact CD2-CG1 4.21Å; L196-V407 HydrophobicContact CG-CG1 4.39Å; R197-V407 WeakPolarHBondContact O-CA 3.42Å; L198-V407 HydrophobicContact CD2-CB 4.37Å; L198-V407 HydrophobicContact CD2-CG1 3.97Å; L198-V407 HydrophobicContact CD2-CG2 4.01Å; I258-V407 HydrophobicContact CD1-CB 4.34Å; I258-V407 HydrophobicContact CD1-CG1 3.98Å; I258-V407 HydrophobicContact CD1-CG2 3.4Å; V290-V407 HydrophobicContact CG1-CG1 4Å; L353-V407 HydrophobicContact CD2-CB 4.5Å; L353-V407 HydrophobicContact CD2-CG1 4.06Å; K377-V407 WeakPolarHBondContact CA-O 3.04Å; V378-V407 HydrophobicContact CB-CB 4.44Å; V378-V407 PolarHBondContact N-O 2.91Å; V378-V407 PolarHBondContact O-N 2.57Å
408	T	98.1	Very high	95.7	Very high	28 Å²	28	31 Å²	31	17%	0.172	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	165.6	-177.9	50.6	0	0	0	0	110.3	L196 R197 K377 T406	L196-T408 WeakPolarHBondContact CA-O 3.47Å; R197-T408 PolarHBondContact N-O 2.89Å; R197-T408 PolarHBondContact O-N 3.04Å; K377-T408 HydrophobicContact CB-CG2 4.09Å; K377-T408 HydrophobicContact CD-CG2 4.28Å; K377-T408 HydrophobicContact CG-CG2 3.84Å; T406-T408 HydrophobicContact CG2-CG2 4.16Å
409	V	96.4	Very high	95.8	Very high	26 Å²	26	32.3 Å²	32.3	16%	0.158	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.7	164.6	-67.9	0	0	0	0	109.3	L196 L353	L196-V409 HydrophobicContact CD2-CG1 3.91Å; L353-V409 HydrophobicContact CB-CG1 4.48Å
410	S	95.1	Very high	95.8	Very high	31 Å²	31	32.9 Å²	32.9	22%	0.217	17%	0.169	C	C	.	.			trans	-147.2	140.9	-179.5	177.4	0	0	0	0	110.2	E412 D413	S410-E412 PolarHBondContact O-N 3.47Å; S410-E412 PolarHBondContact OG-N 2.84Å; S410-D413 WeakPolarHBondContact CB-OD2 3.36Å; S410-D413 PolarHBondContact O-N 2.92Å
411	E	94.1	Very high	95.4	Very high	122 Å²	122	35.3 Å²	35.3	57%	0.57	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-60.1	-29.6	177.5	-65.8	-164.7	161.6	0	0	113	D413 R414	E411-D413 VanDerWaalsContact C-N 3.26Å; E411-D413 PolarHBondContact O-N 3.26Å; E411-R414 WeakPolarHBondContact O-CG 3.18Å; E411-R414 PolarHBondContact O-N 3.44Å; E411-R414 PolarHBondContact O-NE 2.83Å; E411-R414 VanDerWaalsContact O-NE 3.09Å
412	E	95.1	Very high	94.2	Very high	116 Å²	116	40.7 Å²	40.7	54%	0.542	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-70.9	-21.1	178.6	-64.4	-58.7	160.7	0	0	113.2	K148 S410	K148-E412 WeakPolarHBondContact CE-OE2 3.29Å; S410-E412 PolarHBondContact O-N 3.47Å; S410-E412 PolarHBondContact OG-N 2.84Å
413	D	96.4	Very high	94.3	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.027	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-100.4	12	176.6	-53.6	-60	0	0	0	112.4	R195 R197 R253 S410 E411	R195-D413 WeakPolarHBondContact CB-O 3.39Å; R195-D413 PolarHBondContact NE-O 2.91Å; R195-D413 PolarHBondContact NH2-O 3.11Å; R197-D413 WeakPolarHBondContact CB-OD2 3.22Å; R197-D413 IonicContact CZ-OD1 3.07Å; R197-D413 IonicContact CZ-OD2 2.72Å; R197-D413 IonicContact NE-OD1 2.63Å; R197-D413 IonicContact NE-OD2 2.97Å; R197-D413 PolarHBondContact NE-OD2 2.9Å; R197-D413 IonicContact NH2-OD1 2.71Å; R197-D413 PolarHBondContact NH2-OD1 3.07Å; R197-D413 IonicContact NH2-OD2 3.08Å; R197-D413 PolarHBondContact NH2-OD2 3Å; R253-D413 HydrophobicContact CG-CB 4.34Å; R253-D413 IonicContact CZ-OD1 3.65Å; R253-D413 IonicContact NE-OD1 3.81Å; R253-D413 PolarHBondContact NE-OD1 2.83Å; R253-D413 IonicContact NE-OD2 2.89Å; R253-D413 IonicContact NH2-OD1 3.07Å; R253-D413 PolarHBondContact NH2-OD1 3.16Å; S410-D413 WeakPolarHBondContact CB-OD2 3.36Å; S410-D413 PolarHBondContact O-N 2.92Å; E411-D413 VanDerWaalsContact C-N 3.26Å; E411-D413 PolarHBondContact O-N 3.26Å
414	R	97.4	Very high	94.3	Very high	57 Å²	57	44.3 Å²	44.3	22%	0.215	22%	0.218	C	C	.	.			trans	-62.2	147.4	175.4	-68.1	178.8	-58.4	172.9	-3.1	110.6	K148 W192 R193 R195 E411	K148-R414 WeakPolarHBondContact CA-O 3.24Å; K148-R414 WeakPolarHBondContact CB-O 3.2Å; W192-R414 HydrophobicContact CB-CB 4.39Å; W192-R414 HydrophobicContact CE3-CB 4.07Å; R193-R414 CarbonylContact O-C 3.49Å; R193-R414 VanDerWaalsContact O-CA 3.25Å; R193-R414 WeakPolarHBondContact O-CA 3.33Å; R195-R414 PolarHBondContact NH2-O 2.82Å; E411-R414 WeakPolarHBondContact O-CG 3.18Å; E411-R414 PolarHBondContact O-N 3.44Å; E411-R414 PolarHBondContact O-NE 2.83Å; E411-R414 VanDerWaalsContact O-NE 3.09Å
415	L	98.2	Very high	94.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.2	173.2	-171.5	74.4	0	0	0	109.2	M138 A142 V145 V152 R193 R195 L255 T417	M138-L415 HydrophobicContact CE-CD2 3.99Å; A142-L415 HydrophobicContact CB-CD1 4.42Å; A142-L415 HydrophobicContact CB-CD2 3.55Å; V145-L415 HydrophobicContact CB-CD1 4Å; V145-L415 HydrophobicContact CG1-CD1 4.01Å; V152-L415 HydrophobicContact CG2-CD1 3.88Å; V152-L415 HydrophobicContact CG2-CG 4.45Å; R193-L415 HydrophobicContact CB-CB 4.41Å; R193-L415 PolarHBondContact N-O 2.65Å; R193-L415 PolarHBondContact O-N 3.32Å; R195-L415 HydrophobicContact CG-CB 4.31Å; L255-L415 HydrophobicContact CD1-CD2 4.19Å; L255-L415 HydrophobicContact CD2-CD2 4.03Å; L415-T417 HydrophobicContact CD2-CG2 3.74Å; L415-T417 HydrophobicContact CG-CG2 3.95Å; L415-T417 PolarHBondContact O-N 2.86Å
416	R	97.3	Very high	94	Very high	49 Å²	49	48.1 Å²	48.1	19%	0.185	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.2	176.2	-174.1	169.6	89.5	-165.3	7.2	110.6	K148 D149 V152 W190 W192	K148-R416 VanDerWaalsContact O-CB 3.23Å; K148-R416 WeakPolarHBondContact O-CB 3.26Å; D149-R416 PolarHBondContact O-NH1 3Å; D149-R416 VanDerWaalsContact O-NH1 3.09Å; D149-R416 PolarHBondContact O-NH2 3.29Å; D149-R416 IonicContact OD1-NH1 3.52Å; V152-R416 PolarHBondContact N-O 3.01Å; W190-R416 HydrophobicContact CD2-CG 3.86Å; W190-R416 HydrophobicContact CE3-CG 3.34Å; W190-R416 HydrophobicContact CG-CG 4.45Å; W190-R416 HydrophobicContact CZ3-CG 3.77Å; W192-R416 HydrophobicContact CD2-CB 4.49Å; W192-R416 HydrophobicContact CE3-CB 4Å; W192-R416 HydrophobicContact CE3-CG 4.46Å; W192-R416 HydrophobicContact CH2-CB 4.11Å; W192-R416 HydrophobicContact CH2-CG 4.11Å; W192-R416 HydrophobicContact CZ2-CG 4.13Å; W192-R416 HydrophobicContact CZ3-CB 3.81Å; W192-R416 HydrophobicContact CZ3-CG 4.27Å
417	T	97.1	Very high	93.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.9	179.3	60.8	0	0	0	0	111.7	M138 V152 L191 R193 L415	M138-T417 HydrophobicContact CE-CG2 3.42Å; M138-T417 VanDerWaalsContact CE-CG2 3.42Å; V152-T417 WeakPolarHBondContact O-CA 3.17Å; L191-T417 PolarHBondContact N-O 3.4Å; L191-T417 PolarHBondContact O-N 2.84Å; L191-T417 PolarHBondContact O-OG1 3.13Å; L191-T417 VanDerWaalsContact O-OG1 3.05Å; R193-T417 HydrophobicContact CG-CG2 4.49Å; R193-T417 PolarHBondContact NE-OG1 2.96Å; L415-T417 HydrophobicContact CD2-CG2 3.74Å; L415-T417 HydrophobicContact CG-CG2 3.95Å; L415-T417 PolarHBondContact O-N 2.86Å
418	V	94.4	Very high	93.4	Very high	13 Å²	13	52.9 Å²	52.9	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.1	178.4	170.3	0	0	0	0	110.6	V153 L168 L183 F188 W190 L420	V153-V418 HydrophobicContact CG2-CB 4.42Å; V153-V418 HydrophobicContact CG2-CG2 3.81Å; L168-V418 HydrophobicContact CD2-CB 4.4Å; L168-V418 HydrophobicContact CD2-CG1 3.94Å; L183-V418 HydrophobicContact CD2-CB 4.38Å; L183-V418 HydrophobicContact CD2-CG1 3.39Å; L183-V418 HydrophobicContact CD2-CG2 4.08Å; F188-V418 HydrophobicContact CB-CG1 4.17Å; F188-V418 HydrophobicContact CD2-CB 4.49Å; F188-V418 HydrophobicContact CD2-CG1 3.95Å; F188-V418 HydrophobicContact CD2-CG2 4.19Å; F188-V418 HydrophobicContact CE2-CG2 4.23Å; F188-V418 HydrophobicContact CG-CG1 4.3Å; W190-V418 HydrophobicContact CE3-CG2 4.24Å; W190-V418 HydrophobicContact CH2-CG2 4.26Å; W190-V418 HydrophobicContact CZ3-CG2 3.63Å; V418-L420 HydrophobicContact CG1-CG 4.05Å
419	L	93.6	Very high	93.1	Very high	54 Å²	54	54.7 Å²	54.7	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.3	161.2	-68	176.8	0	0	0	109.7	F188 R189 L191	F188-L419 WeakPolarHBondContact CB-O 3.47Å; R189-L419 HydrophobicContact CB-CB 4.32Å; R189-L419 PolarHBondContact N-O 3.32Å; R189-L419 PolarHBondContact O-N 2.91Å; L191-L419 HydrophobicContact CB-CD1 3.73Å; L191-L419 HydrophobicContact CB-CD2 4.48Å; L191-L419 HydrophobicContact CB-CG 3.74Å; L191-L419 HydrophobicContact CD1-CD1 4.27Å; L191-L419 HydrophobicContact CD2-CD1 4.06Å; L191-L419 HydrophobicContact CD2-CD2 4.03Å; L191-L419 HydrophobicContact CD2-CG 4.15Å; L191-L419 HydrophobicContact CG-CD1 4.24Å
420	L	92.2	Very high	92.8	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.063	27%	0.273	C	S	.	.			trans	-105.3	135.8	166.9	-76.4	175.4	0	0	0	109	L168 P169 Y172 A179 R182 L183 E187 F188 V418	L168-L420 HydrophobicContact CD1-CD1 4.27Å; L168-L420 HydrophobicContact CD2-CB 4.4Å; L168-L420 HydrophobicContact CD2-CD1 3.98Å; L168-L420 HydrophobicContact CD2-CG 4.22Å; P169-L420 WeakPolarHBondContact CG-O 3.48Å; Y172-L420 HydrophobicContact CD2-CB 4.4Å; Y172-L420 HydrophobicContact CD2-CD1 4.12Å; Y172-L420 HydrophobicContact CE1-CD1 4.43Å; Y172-L420 HydrophobicContact CE2-CB 3.67Å; Y172-L420 HydrophobicContact CE2-CD1 3.78Å; Y172-L420 HydrophobicContact CE2-CG 4.33Å; A179-L420 HydrophobicContact CB-CD1 3.88Å; R182-L420 HydrophobicContact CB-CD2 4.11Å; L183-L420 HydrophobicContact CD2-CD1 4.31Å; L183-L420 HydrophobicContact CD2-CD2 4.2Å; L183-L420 HydrophobicContact CD2-CG 4.28Å; E187-L420 WeakPolarHBondContact O-CD2 3.35Å; F188-L420 HydrophobicContact CB-CD2 3.54Å; F188-L420 HydrophobicContact CB-CG 4.3Å; V418-L420 HydrophobicContact CG1-CG 4.05Å
421	D	85.8	Confident	92.6	Very high	82 Å²	82	59.1 Å²	59.1	44%	0.439	28%	0.278	S	S	.	.			trans	-72.7	152.5	171.9	-55.9	-41.6	0	0	0	109.6	Y172 R189	Y172-D421 PolarHBondContact OH-O 2.87Å; R189-D421 IonicContact CZ-OD1 3.78Å; R189-D421 IonicContact NH2-OD1 3.92Å; R189-D421 PolarHBondContact NH2-OD1 3.15Å
422	Q	69.9	Low	92.5	Very high	195 Å²	195	53.4 Å²	53.4	91%	0.911	25%	0.251	S	S	*	.			trans	-60.9	0	179.7	-74.8	-165.1	-1.3	0	0	113.3	P169 R171	P169-Q422 HydrophobicContact CB-CG 4.22Å; P169-Q422 HydrophobicContact CG-CG 4.38Å; R171-Q422 WeakPolarHBondContact CD-OXT 3.46Å; R171-Q422 PolarHBondContact NE-OXT 2.84Å; R171-Q422 PolarHBondContact NH1-OXT 2.94Å

Retrieved 422 of 422 residues in 203.4 ms (Link to these results)

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