KLK2_HUMAN Loading...

Kallikrein-2

Glandular kallikreins cleave Met-Lys and Arg-Ser bonds in kininogen to release Lys-bradykinin.

AlphaFold DB , UniProt , Accession P20151, Species HUMAN (Homo sapiens, Human), Gene KLK2, Length 261 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	47.6	Very low	225 Å²	225	150.9 Å²	150.9	100%	1.108	83%	0.83	S	S	*	*				0	101.3	0	-152.1	178.6	-72.7	0	0	105.6
2	W	43.4	Very low	48.1	Very low	228 Å²	228	150.4 Å²	150.4	86%	0.864	83%	0.834	S	S	*	*			trans	58.4	103.2	159.9	-53.6	59.5	0	0	0	116.9
3	D	48.3	Very low	47.8	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	82%	0.824	S	S	*	*				88.4	143	74.4	-77.8	-42.1	0	0	0	115.2
4	L	50.4	Low	47.5	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	83%	0.83	S	S	*	*			trans	81.2	103.2	165.1	-66.1	125.2	0	0	0	117.3
5	V	50.9	Low	47.6	Very low	133 Å²	133	143.3 Å²	143.3	81%	0.806	83%	0.832	S	S	*	*				77.9	121.7	60	-176.8	0	0	0	0	114.3
6	L	44.5	Very low	47.4	Very low	143 Å²	143	138.2 Å²	138.2	75%	0.749	82%	0.82	S	S	*	*			trans	-32.6	149.7	173.7	-84.3	72.8	0	0	0	117.8
7	S	48.1	Very low	47.1	Very low	127 Å²	127	136.2 Å²	136.2	89%	0.888	82%	0.823	S	S	*	*				-157.4	118.1	129.2	-79.8	0	0	0	0	111
8	I	49.5	Very low	46.9	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	82%	0.818	S	S	*	*			trans	-93.8	129.6	168.2	-68.6	168.8	0	0	0	106.7	L10	I8-L10 HydrophobicContact CG2-CD1 4.46Å
9	A	52.3	Low	46.5	Very low	102 Å²	102	133.9 Å²	133.9	84%	0.843	81%	0.812	S	S	*	*			trans	-115.5	119.4	170.5	0	0	0	0	0	109.8
10	L	45.9	Very low	46.1	Very low	150 Å²	150	135.7 Å²	135.7	79%	0.785	82%	0.815	S	S	*	*			trans	-146.2	117.4	173.8	-99.8	163.4	0	0	0	108.6	I8	I8-L10 HydrophobicContact CG2-CD1 4.46Å
11	S	48.6	Very low	45.6	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	82%	0.815	S	S	*	*			trans	174.7	107	154.2	52.5	0	0	0	0	107
12	V	53.5	Low	45.1	Very low	145 Å²	145	132.4 Å²	132.4	88%	0.879	79%	0.792	S	S	*	*				53.4	123.1	71.4	-172.7	0	0	0	0	113.2
13	G	43.5	Very low	44.6	Very low	68 Å²	68	123.5 Å²	123.5	70%	0.701	77%	0.765	S	S	*	*			trans	153.3	86.4	156.9	0	0	0	0	0	115
14	C	44.2	Very low	44.4	Very low	135 Å²	135	121.7 Å²	121.7	91%	0.912	75%	0.747	S	S	*	*			trans	-72.4	121.7	165.7	-168.1	0	0	0	0	109.3	G16	C14-G16 PolarHBondContact O-N 3.38Å
15	T	48.5	Very low	45.4	Very low	141 Å²	141	114.2 Å²	114.2	87%	0.865	71%	0.708	S	S	*	*			trans	-88.3	93.7	173	51.3	0	0	0	0	109.8
16	G	43.8	Very low	46.9	Very low	62 Å²	62	108.5 Å²	108.5	64%	0.639	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-80.2	125.2	160.5	0	0	0	0	0	109.6	C14 V18	C14-G16 PolarHBondContact O-N 3.38Å; G16-V18 PolarHBondContact O-N 3.28Å
17	A	43.4	Very low	49.1	Very low	104 Å²	104	103.5 Å²	103.5	86%	0.86	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-66	116.9	172.2	0	0	0	0	0	109.6
18	V	43.3	Very low	51.3	Low	122 Å²	122	97.8 Å²	97.8	74%	0.739	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-78.1	125.2	170.3	-177.1	0	0	0	0	107.6	G16 L20	G16-V18 PolarHBondContact O-N 3.28Å; V18-L20 PolarHBondContact O-N 3.44Å
19	P	39.6	Very low	53.6	Low	108 Å²	108	94.6 Å²	94.6	70%	0.701	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-67.4	132.5	174.6	27.8	-30.7	0	0	0	109.3	I21	P19-I21 PolarHBondContact O-N 3.07Å; P19-I21 VanDerWaalsContact O-N 3.15Å
20	L	37.2	Very low	55.8	Low	168 Å²	168	93.1 Å²	93.1	88%	0.88	57%	0.573	S	S	*	*			trans	-55.9	114.4	178	-75.4	158.9	0	0	0	110.5	V18 Q22	V18-L20 PolarHBondContact O-N 3.44Å; L20-Q22 PolarHBondContact O-N 3.15Å; L20-Q22 VanDerWaalsContact O-N 3.07Å
21	I	36.8	Very low	58.3	Low	158 Å²	158	86.1 Å²	86.1	81%	0.81	54%	0.536	S	S	*	.			trans	-72.7	96.4	171.6	-61.9	174	0	0	0	107.2	P19	P19-I21 PolarHBondContact O-N 3.07Å; P19-I21 VanDerWaalsContact O-N 3.15Å
22	Q	31.8	Very low	60.7	Low	135 Å²	135	88.6 Å²	88.6	63%	0.631	54%	0.535	S	S	*	.			trans	-75.3	124.4	171	-74.1	177.3	-39.3	0	0	109.3	L20 R24	L20-Q22 PolarHBondContact O-N 3.15Å; L20-Q22 VanDerWaalsContact O-N 3.07Å; Q22-R24 WeakPolarHBondContact O-CD 3.34Å; Q22-R24 WeakPolarHBondContact O-CG 3.24Å; Q22-R24 PolarHBondContact O-NE 2.87Å; Q22-R24 VanDerWaalsContact O-NE 3.14Å
23	S	32.5	Very low	62.8	Low	41 Å²	41	88.6 Å²	88.6	29%	0.287	52%	0.523	S	S	.	.			trans	-64.5	151.6	179.1	47.6	0	0	0	0	112	I160 E161	S23-I160 VanDerWaalsContact O-CD1 3.29Å; S23-I160 WeakPolarHBondContact O-CD1 3.47Å; S23-I160 WeakPolarHBondContact OG-CD1 3.25Å; S23-I160 VanDerWaalsContact OG-CG1 3.25Å; S23-I160 WeakPolarHBondContact OG-CG1 3.11Å; S23-E161 WeakPolarHBondContact CB-OE1 3.46Å; S23-E161 PolarHBondContact OG-OE1 2.83Å
24	R	45.3	Very low	65.4	Low	99 Å²	99	87.9 Å²	87.9	37%	0.374	50%	0.502	S	S	.	.			trans	-136.2	168.3	-164.8	-65.1	126.1	163.5	-134.7	4.5	108.9	Q22 V26 G28 W29 I160 Q172	Q22-R24 WeakPolarHBondContact O-CD 3.34Å; Q22-R24 WeakPolarHBondContact O-CG 3.24Å; Q22-R24 PolarHBondContact O-NE 2.87Å; Q22-R24 VanDerWaalsContact O-NE 3.14Å; R24-V26 WeakPolarHBondContact O-CA 3.34Å; R24-V26 PolarHBondContact O-N 2.88Å; R24-G28 VanDerWaalsContact CB-C 3.47Å; R24-G28 VanDerWaalsContact CD-O 3.29Å; R24-G28 WeakPolarHBondContact CD-O 3.42Å; R24-G28 PolarHBondContact NH1-O 2.99Å; R24-W29 VanDerWaalsContact CG-CA 3.47Å; R24-W29 VanDerWaalsContact NH1-CB 3.3Å; R24-I160 VanDerWaalsContact C-CB 3.42Å; R24-I160 VanDerWaalsContact CA-CG2 3.41Å; R24-I160 WeakPolarHBondContact O-CA 3.38Å; R24-I160 WeakPolarHBondContact O-CB 3.43Å; R24-I160 WeakPolarHBondContact O-CG2 3.25Å; R24-Q172 HydrophobicContact CB-CG 4.46Å
25	I	70.3	Confident	68	Low	0 Å²	0	83.4 Å²	83.4	0%	0	47%	0.472	C	S	.	.	S	Bend	trans	-34.9	125	166.7	-92	173.7	0	0	0	106.6	G27 G28 G156 Q172 V174 D207 D212	I25-G27 CarbonylContact O-C 3.48Å; I25-G27 PolarHBondContact O-N 3.35Å; I25-G28 VanDerWaalsContact O-CA 3.26Å; I25-G28 WeakPolarHBondContact O-CA 3.47Å; I25-G28 PolarHBondContact O-N 3.14Å; I25-G156 VanDerWaalsContact CD1-N 3.29Å; I25-Q172 HydrophobicContact CB-CB 3.7Å; I25-Q172 HydrophobicContact CD1-CB 3.84Å; I25-Q172 HydrophobicContact CG1-CB 3.54Å; I25-Q172 HydrophobicContact CG1-CG 4.38Å; I25-V174 HydrophobicContact CG2-CB 3.75Å; I25-V174 HydrophobicContact CG2-CG1 3.44Å; I25-V174 VanDerWaalsContact CG2-CG1 3.44Å; I25-D207 WeakPolarHBondContact CG2-O 3.22Å; I25-D212 WeakPolarHBondContact CD1-OD1 3.47Å; I25-D212 WeakPolarHBondContact CG1-OD2 3.4Å
26	V	82	Confident	70.4	Confident	13 Å²	13	78 Å²	78	8%	0.079	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	113.9	-153.5	-174.4	0	0	0	0	111.4	R24 P162 K206 D207 C209 C234 A235	R24-V26 WeakPolarHBondContact O-CA 3.34Å; R24-V26 PolarHBondContact O-N 2.88Å; V26-P162 HydrophobicContact CG1-CB 4.3Å; V26-P162 HydrophobicContact CG2-CB 4.48Å; V26-K206 VanDerWaalsContact O-CA 3.26Å; V26-K206 WeakPolarHBondContact O-CA 3.07Å; V26-D207 PolarHBondContact N-O 2.79Å; V26-D207 PolarHBondContact O-N 3.09Å; V26-D207 VanDerWaalsContact O-N 3.11Å; V26-C209 HydrophobicContact CG2-CB 3.95Å; V26-C234 HydrophobicContact CG2-CB 4.08Å; V26-A235 HydrophobicContact CB-CB 4.03Å; V26-A235 HydrophobicContact CG1-CB 3.45Å; V26-A235 VanDerWaalsContact CG1-CB 3.45Å
27	G	90.3	Very high	73	Confident	39 Å²	39	75.9 Å²	75.9	40%	0.402	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	12.1	-177.2	0	0	0	0	0	118	I25 G205 K206	I25-G27 CarbonylContact O-C 3.48Å; I25-G27 PolarHBondContact O-N 3.35Å; G27-G205 VanDerWaalsContact CA-O 3.23Å; G27-G205 WeakPolarHBondContact CA-O 3.31Å; G27-K206 WeakPolarHBondContact O-CE 3.35Å
28	G	95.1	Very high	75.6	Confident	7 Å²	7	73 Å²	73	7%	0.072	38%	0.379	C	S	.	.			trans	-93.9	-149.6	-176.3	0	0	0	0	0	114.1	R24 I25 C173	R24-G28 VanDerWaalsContact CB-C 3.47Å; R24-G28 VanDerWaalsContact CD-O 3.29Å; R24-G28 WeakPolarHBondContact CD-O 3.42Å; R24-G28 PolarHBondContact NH1-O 2.99Å; I25-G28 VanDerWaalsContact O-CA 3.26Å; I25-G28 WeakPolarHBondContact O-CA 3.47Å; I25-G28 PolarHBondContact O-N 3.14Å; G28-C173 CarbonylContact C-O 3.34Å; G28-C173 WeakPolarHBondContact CA-O 3.38Å
29	W	97.7	Very high	78.3	Confident	78 Å²	78	67.4 Å²	67.4	30%	0.295	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.1	175.4	56.3	96.7	0	0	0	111.2	R24 C31 Y153 Q172 C173 S175	R24-W29 VanDerWaalsContact CG-CA 3.47Å; R24-W29 VanDerWaalsContact NH1-CB 3.3Å; W29-C31 PolarHBondContact O-N 3.36Å; W29-Y153 HydrophobicContact CH2-CE1 4.3Å; W29-Y153 HydrophobicContact CZ2-CD1 4.37Å; W29-Y153 AromaticContact CZ2-CE1 3.59Å; W29-Y153 HydrophobicContact CZ2-CE1 3.59Å; W29-Q172 VanDerWaalsContact C-OE1 3.31Å; W29-Q172 CarbonylContact O-C 3.39Å; W29-Q172 WeakPolarHBondContact O-CA 3.29Å; W29-Q172 PolarHBondContact O-OE1 3.42Å; W29-C173 PolarHBondContact N-O 3.14Å; W29-C173 PolarHBondContact O-N 3.25Å; W29-S175 WeakPolarHBondContact CH2-OG 3.2Å
30	E	98.3	Very high	81.1	Confident	72 Å²	72	62.3 Å²	62.3	34%	0.336	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.3	169.2	176	170	166	0	0	108.1	H78 S170 L171	E30-H78 IonicContact OE1-CD2 3.13Å; E30-H78 IonicContact OE1-CE1 3.38Å; E30-H78 IonicContact OE1-NE2 2.81Å; E30-H78 PolarHBondContact OE1-NE2 2.84Å; E30-S170 VanDerWaalsContact OE1-CB 3.27Å; E30-S170 WeakPolarHBondContact OE1-CB 3.34Å; E30-S170 PolarHBondContact OE1-OG 3.16Å; E30-S170 PolarHBondContact OE2-OG 3.3Å; E30-L171 WeakPolarHBondContact CA-O 3.23Å
31	C	98.4	Very high	84	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.02	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-59.1	148	176.8	-58.4	0	0	0	0	109.7	W29 K33 H78 L171 Q172 C173	W29-C31 PolarHBondContact O-N 3.36Å; C31-K33 PolarHBondContact O-N 3.27Å; C31-H78 PolarHBondContact O-CE1 3.08Å; C31-L171 HydrophobicContact CB-CD2 4.31Å; C31-L171 HydrophobicContact CB-CG 4.37Å; C31-L171 PolarHBondContact N-O 3.24Å; C31-Q172 PolarHBondContact SG-O 3.26Å; C31-C173 HydrophobicContact CB-CB 4.13Å; C31-C173 WeakPolarHBondContact CB-SG 3.44Å; C31-C173 VanDerWaalsContact SG-CA 3.57Å; C31-C173 WeakPolarHBondContact SG-CB 3.45Å; C31-C173 PolarHBondContact SG-N 2.86Å; C31-C173 CovalentContact SG-SG 2.04Å; C31-C173 PolarHBondContact SG-SG 2.82Å
32	E	98.3	Very high	87	Confident	162 Å²	162	47 Å²	47	76%	0.757	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-58.3	136.8	164.9	-177.3	174.8	-166.6	0	0	108.9	H34 S35	E32-H34 PolarHBondContact O-N 3.06Å; E32-H34 VanDerWaalsContact O-N 3.16Å; E32-S35 WeakPolarHBondContact O-CB 3.43Å; E32-S35 PolarHBondContact O-N 2.99Å; E32-S35 PolarHBondContact O-OG 3.11Å
33	K	98.1	Very high	90.2	Very high	145 Å²	145	41.5 Å²	41.5	63%	0.63	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	124.5	-173.9	-68.6	-168.5	176.5	-173.1	0	110.5	C31 S35	C31-K33 PolarHBondContact O-N 3.27Å; K33-S35 PolarHBondContact O-N 2.03Å; K33-S35 VanDerWaalsContact O-N 3.16Å
34	H	98.1	Very high	93.2	Very high	53 Å²	53	39.9 Å²	39.9	25%	0.245	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	15	179	-43.6	-62.7	0	0	0	116.1	E32 Q36 P37 T86 V135	E32-H34 PolarHBondContact O-N 3.06Å; E32-H34 VanDerWaalsContact O-N 3.16Å; H34-Q36 PolarHBondContact O-N 2.75Å; H34-P37 WeakPolarHBondContact O-CD 3.34Å; H34-T86 PolarHBondContact CE1-OG1 3.35Å; H34-V135 HydrophobicContact CB-CB 3.79Å; H34-V135 HydrophobicContact CB-CG1 3.52Å
35	S	98.5	Very high	95.5	Very high	42 Å²	42	43 Å²	43	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-64.7	-19.9	172.7	59.8	0	0	0	0	113.6	E32 K33 P37	E32-S35 WeakPolarHBondContact O-CB 3.43Å; E32-S35 PolarHBondContact O-N 2.99Å; E32-S35 PolarHBondContact O-OG 3.11Å; K33-S35 PolarHBondContact O-N 2.03Å; K33-S35 VanDerWaalsContact O-N 3.16Å; S35-P37 WeakPolarHBondContact O-CD 3.46Å
36	Q	98.8	Very high	96.6	Very high	28 Å²	28	46.4 Å²	46.4	13%	0.131	25%	0.248	C	C	.	.			trans	-113.3	64.9	176.7	-47.3	-52.2	-54.7	0	0	110.8	H34 W38 Q39 L171	H34-Q36 PolarHBondContact O-N 2.75Å; Q36-W38 PolarHBondContact O-N 3.5Å; Q36-Q39 HydrophobicContact CB-CB 4.06Å; Q36-Q39 VanDerWaalsContact O-CB 3.23Å; Q36-Q39 WeakPolarHBondContact O-CB 3.37Å; Q36-Q39 PolarHBondContact O-N 2.95Å; Q36-L171 HydrophobicContact CB-CD2 3.93Å; Q36-L171 HydrophobicContact CG-CD2 4.08Å
37	P	98.8	Very high	97.2	Very high	16 Å²	16	51.4 Å²	51.4	10%	0.104	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.8	-168.7	31	-39.2	0	0	0	114.6	H34 S35 V135 V136 K137	H34-P37 WeakPolarHBondContact O-CD 3.34Å; S35-P37 WeakPolarHBondContact O-CD 3.46Å; P37-V135 WeakPolarHBondContact CA-O 3.42Å; P37-V136 WeakPolarHBondContact O-CA 3.46Å; P37-K137 CarbonylContact C-O 3.5Å; P37-K137 HydrophobicContact CB-CB 3.88Å; P37-K137 HydrophobicContact CB-CD 4.32Å; P37-K137 HydrophobicContact CB-CG 4.13Å; P37-K137 HydrophobicContact CG-CB 3.8Å; P37-K137 HydrophobicContact CG-CD 4.04Å; P37-K137 HydrophobicContact CG-CG 4.23Å; P37-K137 PolarHBondContact O-N 3Å
38	W	98.9	Very high	97.5	Very high	43 Å²	43	50.1 Å²	50.1	16%	0.163	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-15.8	172.5	48.8	78.1	0	0	0	113.4	Q36 V40 V53 L54 K137 L139 V218	Q36-W38 PolarHBondContact O-N 3.5Å; W38-V40 PolarHBondContact O-N 3.47Å; W38-V53 HydrophobicContact CB-CG1 4.08Å; W38-V53 HydrophobicContact CG-CG1 4.28Å; W38-V53 WeakPolarHBondContact O-CA 3.35Å; W38-L54 PolarHBondContact O-N 2.69Å; W38-K137 WeakPolarHBondContact CA-O 3.29Å; W38-K137 WeakPolarHBondContact CB-O 3.06Å; W38-K137 PolarHBondContact N-O 3.49Å; W38-L139 HydrophobicContact CB-CB 3.66Å; W38-L139 HydrophobicContact CD2-CB 3.8Å; W38-L139 HydrophobicContact CD2-CD1 3.94Å; W38-L139 HydrophobicContact CD2-CD2 3.99Å; W38-L139 HydrophobicContact CD2-CG 4.12Å; W38-L139 HydrophobicContact CE3-CB 4.04Å; W38-L139 HydrophobicContact CE3-CD1 3.85Å; W38-L139 HydrophobicContact CE3-CG 4.4Å; W38-L139 HydrophobicContact CG-CB 3.63Å; W38-L139 HydrophobicContact CG-CD2 3.97Å; W38-L139 HydrophobicContact CG-CG 4.26Å; W38-L139 HydrophobicContact CH2-CD1 4.18Å; W38-L139 HydrophobicContact CZ2-CD1 4.25Å; W38-L139 HydrophobicContact CZ3-CD1 3.98Å; W38-V218 HydrophobicContact CZ2-CG2 4.19Å
39	Q	98.9	Very high	97.5	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.023	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.1	179.4	177	72	54.1	0	0	109.3	Q36 S155 W157 L171	Q36-Q39 HydrophobicContact CB-CB 4.06Å; Q36-Q39 VanDerWaalsContact O-CB 3.23Å; Q36-Q39 WeakPolarHBondContact O-CB 3.37Å; Q36-Q39 PolarHBondContact O-N 2.95Å; Q39-S155 PolarHBondContact OE1-O 2.03Å; Q39-S155 VanDerWaalsContact OE1-O 3.05Å; Q39-S155 PolarHBondContact OE1-OG 2.6Å; Q39-W157 HydrophobicContact CG-CE3 4.49Å; Q39-W157 HydrophobicContact CG-CH2 3.66Å; Q39-W157 HydrophobicContact CG-CZ3 3.56Å; Q39-L171 HydrophobicContact CB-CD2 4.22Å; Q39-L171 HydrophobicContact CG-CD1 3.72Å; Q39-L171 HydrophobicContact CG-CD2 3.99Å
40	V	98.9	Very high	97.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.5	169.5	-50.4	0	0	0	0	110.8	W38 V42 G51 G52 L54 V60 V73 W74 L75	W38-V40 PolarHBondContact O-N 3.47Å; V40-V42 HydrophobicContact CG2-CG2 4.5Å; V40-G51 CarbonylContact O-C 3.53Å; V40-G51 WeakPolarHBondContact O-CA 3.47Å; V40-G52 VanDerWaalsContact CG2-C 3.46Å; V40-G52 VanDerWaalsContact CG2-CA 3.46Å; V40-G52 PolarHBondContact N-O 3.25Å; V40-G52 PolarHBondContact O-N 2.82Å; V40-G52 VanDerWaalsContact O-N 3.11Å; V40-L54 HydrophobicContact CG1-CB 4.48Å; V40-V60 HydrophobicContact CG1-CG2 4.27Å; V40-V60 HydrophobicContact CG2-CB 4.49Å; V40-V60 HydrophobicContact CG2-CG1 3.56Å; V40-V60 HydrophobicContact CG2-CG2 4.08Å; V40-V73 HydrophobicContact CB-CG1 3.65Å; V40-V73 HydrophobicContact CG1-CG1 3.9Å; V40-V73 HydrophobicContact CG2-CG1 3.81Å; V40-W74 VanDerWaalsContact CA-O 3.3Å; V40-W74 WeakPolarHBondContact CA-O 3.3Å; V40-W74 WeakPolarHBondContact CB-O 3.39Å; V40-L75 HydrophobicContact CB-CG 4.47Å; V40-L75 HydrophobicContact CG1-CB 4.3Å; V40-L75 HydrophobicContact CG1-CD2 3.74Å; V40-L75 HydrophobicContact CG1-CG 3.64Å
41	A	98.8	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.7	166	0	0	0	0	0	109.2	Y43 A48 W74 L80 W157	A41-Y43 HydrophobicContact CB-CD2 3.84Å; A41-Y43 HydrophobicContact CB-CE2 3.54Å; A41-A48 HydrophobicContact CB-CB 4.28Å; A41-W74 HydrophobicContact CB-CB 4.47Å; A41-W74 PolarHBondContact N-O 3.43Å; A41-W74 PolarHBondContact O-N 3.21Å; A41-L80 HydrophobicContact CB-CD2 4.17Å; A41-W157 HydrophobicContact CB-CE3 4Å; A41-W157 HydrophobicContact CB-CH2 4.39Å; A41-W157 HydrophobicContact CB-CZ3 3.69Å
42	V	98.8	Very high	97.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.4	174.3	-175.5	0	0	0	0	108	V40 H49 C50 L124	V40-V42 HydrophobicContact CG2-CG2 4.5Å; V42-H49 PolarHBondContact O-N 2.65Å; V42-C50 HydrophobicContact CB-CB 4.26Å; V42-C50 PolarHBondContact N-O 2.97Å; V42-C50 PolarHBondContact O-N 3.24Å; V42-L124 HydrophobicContact CG1-CD1 4.19Å; V42-L124 HydrophobicContact CG2-CD1 4.08Å
43	Y	98.4	Very high	97.6	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.1	-178.8	-87.9	-115.2	0	0	0	111.5	A41 W47 A48 S71 Q72 W74 L80	A41-Y43 HydrophobicContact CB-CD2 3.84Å; A41-Y43 HydrophobicContact CB-CE2 3.54Å; Y43-W47 VanDerWaalsContact CA-O 3.25Å; Y43-W47 WeakPolarHBondContact CA-O 3.44Å; Y43-W47 WeakPolarHBondContact CD1-O 3.37Å; Y43-A48 HydrophobicContact CD2-CB 3.98Å; Y43-A48 HydrophobicContact CE1-CB 4.45Å; Y43-A48 HydrophobicContact CE2-CB 3.53Å; Y43-S71 CarbonylContact O-C 3.58Å; Y43-S71 WeakPolarHBondContact O-CA 3.37Å; Y43-Q72 PolarHBondContact N-O 2.9Å; Y43-Q72 PolarHBondContact O-N 2.99Å; Y43-W74 AromaticContact CD1-NE1 3.85Å; Y43-W74 HydrophobicContact CD2-CB 4.38Å; Y43-W74 AromaticContact CD2-CD1 3.44Å; Y43-W74 VanDerWaalsContact CD2-CD1 3.44Å; Y43-W74 AromaticContact CD2-CG 3.95Å; Y43-W74 HydrophobicContact CD2-CG 3.95Å; Y43-W74 AromaticContact CD2-NE1 3.79Å; Y43-W74 HydrophobicContact CE1-CZ2 4.49Å; Y43-W74 HydrophobicContact CE2-CB 4.35Å; Y43-W74 AromaticContact CE2-CD1 3.94Å; Y43-W74 HydrophobicContact CE2-CD2 4.41Å; Y43-W74 HydrophobicContact CE2-CG 4.03Å; Y43-W74 AromaticContact CG-CD1 3.67Å; Y43-W74 AromaticContact CG-NE1 3.59Å; Y43-L80 HydrophobicContact CE2-CD2 4.32Å
44	S	96	Very high	97.6	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.9	161.5	-170.4	0	0	0	0	107.8	G46 W47 H49 K69	S44-G46 PolarHBondContact O-N 2.82Å; S44-W47 PolarHBondContact N-O 3.06Å; S44-W47 VanDerWaalsContact N-O 3.12Å; S44-W47 PolarHBondContact O-N 3.34Å; S44-W47 VanDerWaalsContact O-N 3.09Å; S44-W47 VanDerWaalsContact O-O 3.11Å; S44-H49 PolarHBondContact N-CD2 3.11Å; S44-H49 PolarHBondContact O-NE2 3.5Å; S44-K69 PolarHBondContact OG-O 3.42Å
45	H	94.3	Very high	97.7	Very high	166 Å²	166	28.5 Å²	28.5	77%	0.769	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	31.6	-176.8	-57.8	-74.9	0	0	0	115.2
46	G	92.9	Very high	97.7	Very high	71 Å²	71	30.2 Å²	30.2	73%	0.732	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	2.6	175.9	0	0	0	0	0	116.3	S44	S44-G46 PolarHBondContact O-N 2.82Å
47	W	94.3	Very high	97.7	Very high	117 Å²	117	30.8 Å²	30.8	44%	0.443	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.2	-179.7	61.7	-89	0	0	0	112.9	Y43 S44 H49	Y43-W47 VanDerWaalsContact CA-O 3.25Å; Y43-W47 WeakPolarHBondContact CA-O 3.44Å; Y43-W47 WeakPolarHBondContact CD1-O 3.37Å; S44-W47 PolarHBondContact N-O 3.06Å; S44-W47 VanDerWaalsContact N-O 3.12Å; S44-W47 PolarHBondContact O-N 3.34Å; S44-W47 VanDerWaalsContact O-N 3.09Å; S44-W47 VanDerWaalsContact O-O 3.11Å; W47-H49 AromaticContact CD2-CD2 3.81Å; W47-H49 AromaticContact CD2-NE2 3.69Å; W47-H49 AromaticContact CE2-CD2 3.84Å; W47-H49 AromaticContact CE2-CE1 3.43Å; W47-H49 VanDerWaalsContact CE2-CE1 3.43Å; W47-H49 AromaticContact CE2-NE2 3.21Å; W47-H49 AromaticContact CE3-CD2 3.81Å; W47-H49 AromaticContact CE3-CG 3.96Å; W47-H49 AromaticContact CH2-CD2 3.96Å; W47-H49 AromaticContact CH2-CE1 3.08Å; W47-H49 WeakPolarHBondContact CH2-CE1 3.48Å; W47-H49 AromaticContact CH2-CG 3.68Å; W47-H49 AromaticContact CH2-ND1 3.09Å; W47-H49 WeakPolarHBondContact CH2-ND1 3.48Å; W47-H49 AromaticContact CH2-NE2 3.66Å; W47-H49 AromaticContact CZ2-CD2 3.96Å; W47-H49 AromaticContact CZ2-CE1 2.89Å; W47-H49 WeakPolarHBondContact CZ2-CE1 3.38Å; W47-H49 AromaticContact CZ2-ND1 3.48Å; W47-H49 WeakPolarHBondContact CZ2-ND1 3.29Å; W47-H49 AromaticContact CZ2-NE2 3.25Å; W47-H49 WeakPolarHBondContact CZ2-NE2 3.33Å; W47-H49 HydrophobicContact CZ3-CB 4.2Å; W47-H49 AromaticContact CZ3-CD2 3.86Å; W47-H49 AromaticContact CZ3-CE1 3.77Å; W47-H49 AromaticContact CZ3-CG 3.58Å; W47-H49 AromaticContact CZ3-ND1 3.49Å; W47-H49 WeakPolarHBondContact CZ3-ND1 3.36Å; W47-H49 AromaticContact NE1-NE2 3.67Å; W47-H49 PolarHBondContact O-CD2 3.09Å; W47-H49 PolarHBondContact O-N 3.5Å
48	A	96.6	Very high	97.7	Very high	13 Å²	13	31.2 Å²	31.2	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.8	-178	0	0	0	0	0	111.4	A41 Y43 L80 R167	A41-A48 HydrophobicContact CB-CB 4.28Å; Y43-A48 HydrophobicContact CD2-CB 3.98Å; Y43-A48 HydrophobicContact CE1-CB 4.45Å; Y43-A48 HydrophobicContact CE2-CB 3.53Å; A48-L80 HydrophobicContact CB-CD1 3.87Å; A48-R167 PolarHBondContact O-NH1 3.27Å
49	H	95.7	Very high	97.7	Very high	35 Å²	35	29.3 Å²	29.3	16%	0.162	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-42.9	-179.9	-80	-99.8	0	0	0	113.3	V42 S44 W47	V42-H49 PolarHBondContact O-N 2.65Å; S44-H49 PolarHBondContact N-CD2 3.11Å; S44-H49 PolarHBondContact O-NE2 3.5Å; W47-H49 AromaticContact CD2-CD2 3.81Å; W47-H49 AromaticContact CD2-NE2 3.69Å; W47-H49 AromaticContact CE2-CD2 3.84Å; W47-H49 AromaticContact CE2-CE1 3.43Å; W47-H49 VanDerWaalsContact CE2-CE1 3.43Å; W47-H49 AromaticContact CE2-NE2 3.21Å; W47-H49 AromaticContact CE3-CD2 3.81Å; W47-H49 AromaticContact CE3-CG 3.96Å; W47-H49 AromaticContact CH2-CD2 3.96Å; W47-H49 AromaticContact CH2-CE1 3.08Å; W47-H49 WeakPolarHBondContact CH2-CE1 3.48Å; W47-H49 AromaticContact CH2-CG 3.68Å; W47-H49 AromaticContact CH2-ND1 3.09Å; W47-H49 WeakPolarHBondContact CH2-ND1 3.48Å; W47-H49 AromaticContact CH2-NE2 3.66Å; W47-H49 AromaticContact CZ2-CD2 3.96Å; W47-H49 AromaticContact CZ2-CE1 2.89Å; W47-H49 WeakPolarHBondContact CZ2-CE1 3.38Å; W47-H49 AromaticContact CZ2-ND1 3.48Å; W47-H49 WeakPolarHBondContact CZ2-ND1 3.29Å; W47-H49 AromaticContact CZ2-NE2 3.25Å; W47-H49 WeakPolarHBondContact CZ2-NE2 3.33Å; W47-H49 HydrophobicContact CZ3-CB 4.2Å; W47-H49 AromaticContact CZ3-CD2 3.86Å; W47-H49 AromaticContact CZ3-CE1 3.77Å; W47-H49 AromaticContact CZ3-CG 3.58Å; W47-H49 AromaticContact CZ3-ND1 3.49Å; W47-H49 WeakPolarHBondContact CZ3-ND1 3.36Å; W47-H49 AromaticContact NE1-NE2 3.67Å; W47-H49 PolarHBondContact O-CD2 3.09Å; W47-H49 PolarHBondContact O-N 3.5Å
50	C	98.4	Very high	97.7	Very high	13 Å²	13	29.1 Å²	29.1	9%	0.088	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.9	-173.6	-76.1	0	0	0	0	110.6	V42 C66 S213	V42-C50 HydrophobicContact CB-CB 4.26Å; V42-C50 PolarHBondContact N-O 2.97Å; V42-C50 PolarHBondContact O-N 3.24Å; C50-C66 HydrophobicContact CB-CB 3.71Å; C50-C66 WeakPolarHBondContact CB-SG 3.11Å; C50-C66 WeakPolarHBondContact SG-CB 3.03Å; C50-C66 CovalentContact SG-SG 2.03Å; C50-C66 PolarHBondContact SG-SG 3.46Å; C50-S213 CarbonylContact C-O 3.59Å; C50-S213 WeakPolarHBondContact CA-O 3.09Å; C50-S213 WeakPolarHBondContact CB-O 3.44Å
51	G	98.7	Very high	97.7	Very high	2 Å²	2	29 Å²	29	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	176.4	159.4	0	0	0	0	0	112.6	V40 T62 S213 G214	V40-G51 CarbonylContact O-C 3.53Å; V40-G51 WeakPolarHBondContact O-CA 3.47Å; G51-T62 PolarHBondContact O-OG1 2.94Å; G51-S213 PolarHBondContact N-O 2.74Å; G51-G214 VanDerWaalsContact C-C 3.49Å; G51-G214 CarbonylContact C-O 3.58Å; G51-G214 CarbonylContact O-C 3.46Å
52	G	98.9	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	172.1	171.6	0	0	0	0	0	109.9	V40 L61 G214	V40-G52 VanDerWaalsContact CG2-C 3.46Å; V40-G52 VanDerWaalsContact CG2-CA 3.46Å; V40-G52 PolarHBondContact N-O 3.25Å; V40-G52 PolarHBondContact O-N 2.82Å; V40-G52 VanDerWaalsContact O-N 3.11Å; G52-L61 CarbonylContact C-O 3.43Å; G52-L61 WeakPolarHBondContact CA-O 3.44Å; G52-G214 VanDerWaalsContact CA-O 3.23Å; G52-G214 WeakPolarHBondContact CA-O 3.46Å; G52-G214 PolarHBondContact N-O 2.76Å
53	V	99	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	-178.7	-169.1	0	0	0	0	110.3	W38 V55 V60 L61 L139 P216 L223 I226	W38-V53 HydrophobicContact CB-CG1 4.08Å; W38-V53 HydrophobicContact CG-CG1 4.28Å; W38-V53 WeakPolarHBondContact O-CA 3.35Å; V53-V55 HydrophobicContact CB-CG1 4.44Å; V53-V55 HydrophobicContact CG1-CG1 4.24Å; V53-V55 PolarHBondContact O-N 2.87Å; V53-V60 CarbonylContact O-C 3.52Å; V53-V60 VanDerWaalsContact O-CA 3.29Å; V53-V60 WeakPolarHBondContact O-CA 3.26Å; V53-L61 PolarHBondContact N-O 2.96Å; V53-L61 PolarHBondContact O-N 2.89Å; V53-L139 HydrophobicContact CG1-CB 3.96Å; V53-L139 HydrophobicContact CG1-CD2 4.01Å; V53-P216 HydrophobicContact CG2-CB 3.6Å; V53-P216 HydrophobicContact CG2-CG 4.22Å; V53-L223 HydrophobicContact CB-CD1 4.44Å; V53-L223 HydrophobicContact CB-CD2 4.06Å; V53-L223 HydrophobicContact CG1-CD1 4.18Å; V53-L223 HydrophobicContact CG1-CD2 3.87Å; V53-L223 HydrophobicContact CG2-CD1 3.87Å; V53-L223 HydrophobicContact CG2-CD2 4.27Å; V53-I226 HydrophobicContact CB-CD1 4.42Å; V53-I226 HydrophobicContact CG2-CD1 3.61Å
54	L	98.9	Very high	97.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	110.1	172	-167.2	68.9	0	0	0	109.8	W38 V40 H56 V60 L75 I132 V136 V138 L139	W38-L54 PolarHBondContact O-N 2.69Å; V40-L54 HydrophobicContact CG1-CB 4.48Å; L54-H56 WeakPolarHBondContact CD1-O 3.44Å; L54-V60 HydrophobicContact CD1-CG2 4.06Å; L54-L75 HydrophobicContact CD1-CD2 3.75Å; L54-L75 HydrophobicContact CD2-CD2 3.91Å; L54-L75 HydrophobicContact CG-CD2 4.29Å; L54-I132 HydrophobicContact CD2-CD1 4.09Å; L54-V136 HydrophobicContact CD2-CG1 3.79Å; L54-V138 HydrophobicContact CD2-CG2 4.17Å; L54-V138 HydrophobicContact CG-CG2 4.14Å; L54-V138 CarbonylContact O-C 3.6Å; L54-V138 WeakPolarHBondContact O-CA 3.43Å; L54-L139 PolarHBondContact O-N 2.7Å
55	V	98.9	Very high	97.8	Very high	16 Å²	16	30 Å²	30	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-8.7	-178.1	-64.6	0	0	0	0	113	V53 W59 L61 L123 V138 L141 L223	V53-V55 HydrophobicContact CB-CG1 4.44Å; V53-V55 HydrophobicContact CG1-CG1 4.24Å; V53-V55 PolarHBondContact O-N 2.87Å; V55-W59 HydrophobicContact CG2-CB 4.29Å; V55-W59 WeakPolarHBondContact CG2-O 3.06Å; V55-W59 PolarHBondContact N-O 2.96Å; V55-L61 HydrophobicContact CG1-CB 3.89Å; V55-L61 HydrophobicContact CG1-CD2 4.46Å; V55-L61 HydrophobicContact CG2-CB 4.16Å; V55-L123 HydrophobicContact CG2-CD2 4.2Å; V55-V138 VanDerWaalsContact C-CG1 3.4Å; V55-V138 VanDerWaalsContact O-CG1 3.3Å; V55-V138 WeakPolarHBondContact O-CG1 3.3Å; V55-L141 HydrophobicContact CB-CD2 4.4Å; V55-L141 HydrophobicContact CG1-CD2 3.93Å; V55-L223 HydrophobicContact CG1-CD2 3.88Å
56	H	98.8	Very high	97.9	Very high	78 Å²	78	22.4 Å²	22.4	36%	0.361	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.4	171.7	-177.2	-94.1	0	0	0	107.3	L54 Q58 W59	L54-H56 WeakPolarHBondContact CD1-O 3.44Å; H56-Q58 PolarHBondContact ND1-N 3.03Å; H56-Q58 PolarHBondContact O-N 3.36Å; H56-W59 HydrophobicContact CB-CB 3.84Å; H56-W59 HydrophobicContact CB-CG 4.23Å; H56-W59 AromaticContact CG-CD1 3.78Å; H56-W59 PolarHBondContact N-O 2.78Å; H56-W59 AromaticContact ND1-CD1 3.45Å; H56-W59 PolarHBondContact O-N 2.8Å; H56-W59 VanDerWaalsContact O-O 3.08Å
57	P	98.7	Very high	98.1	Very high	40 Å²	40	21.7 Å²	21.7	26%	0.26	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.4	179.3	-29.9	36.9	0	0	0	114.8	P129 A130 I132 V138	P57-P129 HydrophobicContact CB-CB 4.16Å; P57-P129 CarbonylContact O-C 3.56Å; P57-P129 WeakPolarHBondContact O-CA 3.42Å; P57-A130 WeakPolarHBondContact O-CB 3.42Å; P57-A130 PolarHBondContact O-N 2.79Å; P57-I132 HydrophobicContact CB-CD1 4.13Å; P57-I132 HydrophobicContact CB-CG1 4.25Å; P57-I132 HydrophobicContact CG-CD1 4.1Å; P57-I132 HydrophobicContact CG-CG1 4.04Å; P57-V138 HydrophobicContact CG-CG2 4.36Å
58	Q	98.9	Very high	98.2	Very high	25 Å²	25	21 Å²	21	12%	0.117	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	6.2	179	-158.5	172.7	-5.4	0	0	114.5	H56 L126 P129	H56-Q58 PolarHBondContact ND1-N 3.03Å; H56-Q58 PolarHBondContact O-N 3.36Å; Q58-L126 HydrophobicContact CG-CB 4.07Å; Q58-L126 WeakPolarHBondContact CG-O 3.45Å; Q58-L126 PolarHBondContact NE2-O 3.39Å; Q58-L126 PolarHBondContact O-N 3.48Å; Q58-P129 HydrophobicContact CB-CB 4.2Å; Q58-P129 HydrophobicContact CB-CG 4.17Å; Q58-P129 HydrophobicContact CG-CG 4.25Å
59	W	98.9	Very high	98.2	Very high	3 Å²	3	29 Å²	29	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.8	-177.1	-61.4	88.7	0	0	0	113.2	V55 H56 F96 L123 L124 R125 T256 I257 N260	V55-W59 HydrophobicContact CG2-CB 4.29Å; V55-W59 WeakPolarHBondContact CG2-O 3.06Å; V55-W59 PolarHBondContact N-O 2.96Å; H56-W59 HydrophobicContact CB-CB 3.84Å; H56-W59 HydrophobicContact CB-CG 4.23Å; H56-W59 AromaticContact CG-CD1 3.78Å; H56-W59 PolarHBondContact N-O 2.78Å; H56-W59 AromaticContact ND1-CD1 3.45Å; H56-W59 PolarHBondContact O-N 2.8Å; H56-W59 VanDerWaalsContact O-O 3.08Å; W59-F96 HydrophobicContact CH2-CD2 4.02Å; W59-F96 AromaticContact CH2-CE2 3.64Å; W59-F96 HydrophobicContact CH2-CE2 3.64Å; W59-F96 HydrophobicContact CH2-CZ 4.2Å; W59-F96 AromaticContact CZ3-CD2 3.59Å; W59-F96 HydrophobicContact CZ3-CD2 3.59Å; W59-F96 AromaticContact CZ3-CE2 3.64Å; W59-F96 HydrophobicContact CZ3-CE2 3.64Å; W59-F96 HydrophobicContact CZ3-CG 4.48Å; W59-L123 HydrophobicContact CB-CD2 4.32Å; W59-L123 HydrophobicContact CE3-CB 3.93Å; W59-L123 HydrophobicContact CE3-CD1 4.47Å; W59-L123 HydrophobicContact CE3-CD2 4.12Å; W59-L123 HydrophobicContact CE3-CG 4.42Å; W59-L123 HydrophobicContact CZ3-CB 3.96Å; W59-L123 HydrophobicContact CZ3-CD1 4.49Å; W59-L124 WeakPolarHBondContact CA-O 3.31Å; W59-R125 HydrophobicContact CD2-CB 4.21Å; W59-R125 HydrophobicContact CD2-CG 4.38Å; W59-R125 HydrophobicContact CE3-CB 3.84Å; W59-R125 HydrophobicContact CE3-CG 4.48Å; W59-R125 HydrophobicContact CH2-CB 3.76Å; W59-R125 HydrophobicContact CH2-CG 4.1Å; W59-R125 HydrophobicContact CZ2-CB 4.12Å; W59-R125 HydrophobicContact CZ2-CG 3.97Å; W59-R125 HydrophobicContact CZ3-CB 3.61Å; W59-R125 HydrophobicContact CZ3-CG 4.36Å; W59-T256 HydrophobicContact CH2-CG2 4.41Å; W59-T256 HydrophobicContact CZ3-CG2 4.4Å; W59-I257 HydrophobicContact CB-CD1 4.32Å; W59-I257 HydrophobicContact CB-CG1 4.48Å; W59-I257 HydrophobicContact CD2-CG1 3.81Å; W59-I257 HydrophobicContact CE3-CG1 4.34Å; W59-I257 HydrophobicContact CG-CD1 4.14Å; W59-I257 HydrophobicContact CG-CG1 3.85Å; W59-I257 HydrophobicContact CZ2-CB 4.45Å; W59-I257 HydrophobicContact CZ2-CG1 4.3Å; W59-N260 HydrophobicContact CH2-CB 3.92Å; W59-N260 HydrophobicContact CZ2-CB 4.21Å; W59-N260 WeakPolarHBondContact CZ2-O 3.26Å
60	V	98.9	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.9	172.3	169.8	0	0	0	0	109.2	V40 V53 L54 V73 L123 L124 L126	V40-V60 HydrophobicContact CG1-CG2 4.27Å; V40-V60 HydrophobicContact CG2-CB 4.49Å; V40-V60 HydrophobicContact CG2-CG1 3.56Å; V40-V60 HydrophobicContact CG2-CG2 4.08Å; V53-V60 CarbonylContact O-C 3.52Å; V53-V60 VanDerWaalsContact O-CA 3.29Å; V53-V60 WeakPolarHBondContact O-CA 3.26Å; L54-V60 HydrophobicContact CD1-CG2 4.06Å; V60-V73 HydrophobicContact CG2-CG1 3.94Å; V60-V73 HydrophobicContact CG2-CG2 4.42Å; V60-L123 CarbonylContact O-C 3.57Å; V60-L123 WeakPolarHBondContact O-CA 3.49Å; V60-L124 HydrophobicContact CB-CB 4.22Å; V60-L124 HydrophobicContact CG1-CD1 4.42Å; V60-L124 PolarHBondContact N-O 3.05Å; V60-L124 PolarHBondContact O-N 3.26Å; V60-L126 HydrophobicContact CG2-CD2 4.25Å
61	L	98.9	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.7	167.7	-160.2	68.4	0	0	0	109	G52 V53 V55 L121 M122 L123 L223 I226 V246 W252 I253	G52-L61 CarbonylContact C-O 3.43Å; G52-L61 WeakPolarHBondContact CA-O 3.44Å; V53-L61 PolarHBondContact N-O 2.96Å; V53-L61 PolarHBondContact O-N 2.89Å; V55-L61 HydrophobicContact CG1-CB 3.89Å; V55-L61 HydrophobicContact CG1-CD2 4.46Å; V55-L61 HydrophobicContact CG2-CB 4.16Å; L61-L121 HydrophobicContact CD1-CD1 4.1Å; L61-L121 HydrophobicContact CD1-CD2 4.2Å; L61-L121 HydrophobicContact CD1-CG 3.93Å; L61-L121 HydrophobicContact CD2-CD1 3.99Å; L61-L121 HydrophobicContact CG-CD1 3.88Å; L61-L121 HydrophobicContact CG-CG 4.29Å; L61-M122 WeakPolarHBondContact CA-O 3.36Å; L61-L123 HydrophobicContact CD1-CD2 3.65Å; L61-L123 HydrophobicContact CD1-CG 3.79Å; L61-L223 HydrophobicContact CD2-CD2 3.88Å; L61-I226 HydrophobicContact CD2-CD1 4.31Å; L61-I226 HydrophobicContact CD2-CG1 4.08Å; L61-I226 HydrophobicContact CG-CD1 4.38Å; L61-I226 HydrophobicContact CG-CG1 4.32Å; L61-V246 HydrophobicContact CD2-CG1 4.22Å; L61-V246 HydrophobicContact CD2-CG2 4.41Å; L61-W252 HydrophobicContact CD1-CZ3 4.28Å; L61-I253 HydrophobicContact CD1-CD1 4.18Å; L61-I253 HydrophobicContact CD1-CG1 4.2Å; L61-I253 HydrophobicContact CD2-CD1 3.9Å
62	T	98.9	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-175.5	178.2	-172.4	0	0	0	0	109.3	G51 L121 M122 L124 G214	G51-T62 PolarHBondContact O-OG1 2.94Å; T62-L121 CarbonylContact O-C 3.56Å; T62-L121 WeakPolarHBondContact O-CA 3.07Å; T62-M122 HydrophobicContact CG2-CB 4.17Å; T62-M122 HydrophobicContact CG2-CE 3.52Å; T62-M122 HydrophobicContact CG2-CG 4.42Å; T62-M122 PolarHBondContact N-O 3.16Å; T62-M122 PolarHBondContact O-N 2.59Å; T62-L124 HydrophobicContact CG2-CD1 3.84Å; T62-L124 HydrophobicContact CG2-CG 3.95Å; T62-G214 WeakPolarHBondContact OG1-CA 3.27Å
63	A	98.7	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.			trans	-81	145.9	176.3	0	0	0	0	0	110.9	H65 C66 I226	A63-H65 VanDerWaalsContact C-N 3.27Å; A63-H65 PolarHBondContact O-N 3.23Å; A63-C66 VanDerWaalsContact O-CB 3.28Å; A63-C66 WeakPolarHBondContact O-CB 3.39Å; A63-C66 PolarHBondContact O-N 3.02Å; A63-C66 VanDerWaalsContact O-N 3.16Å; A63-I226 HydrophobicContact CB-CG2 4.26Å
64	A	98.5	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-66	-32	178.5	0	0	0	0	0	112.1	C66 L67 P97 Y101 D120 M122	A64-C66 PolarHBondContact O-N 3.25Å; A64-C66 VanDerWaalsContact O-N 3.11Å; A64-L67 WeakPolarHBondContact O-CB 3.35Å; A64-L67 PolarHBondContact O-N 2.97Å; A64-L67 VanDerWaalsContact O-N 3.07Å; A64-P97 HydrophobicContact CB-CB 4.18Å; A64-Y101 HydrophobicContact CB-CD1 3.36Å; A64-Y101 HydrophobicContact CB-CD2 4.18Å; A64-Y101 HydrophobicContact CB-CE1 3.83Å; A64-Y101 HydrophobicContact CB-CG 3.56Å; A64-D120 WeakPolarHBondContact CA-OD1 3.04Å; A64-D120 WeakPolarHBondContact CB-OD1 3.21Å; A64-D120 PolarHBondContact N-OD1 2.79Å; A64-M122 HydrophobicContact CB-CB 4.39Å
65	H	97.3	Very high	98.2	Very high	50 Å²	50	39.4 Å²	39.4	23%	0.231	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65.9	-12.5	176.2	76.2	-103	0	0	0	113.7	A63 L67 Y101 L106 D120 S213 S228	A63-H65 VanDerWaalsContact C-N 3.27Å; A63-H65 PolarHBondContact O-N 3.23Å; H65-L67 PolarHBondContact O-N 2.92Å; H65-Y101 WeakPolarHBondContact CB-OH 3.48Å; H65-L106 HydrophobicContact CB-CD2 3.67Å; H65-D120 IonicContact CE1-OD2 3.27Å; H65-D120 PolarHBondContact CE1-OD2 3.11Å; H65-D120 IonicContact CG-OD1 2.79Å; H65-D120 IonicContact CG-OD2 3.27Å; H65-D120 PolarHBondContact N-OD1 3.17Å; H65-D120 IonicContact ND1-OD1 2.99Å; H65-D120 PolarHBondContact ND1-OD1 3.47Å; H65-D120 IonicContact ND1-OD2 3.65Å; H65-D120 PolarHBondContact ND1-OD2 3.2Å; H65-S213 WeakPolarHBondContact CE1-CB 3.48Å; H65-S213 PolarHBondContact CE1-OG 2.85Å; H65-S213 WeakPolarHBondContact NE2-CB 3.19Å; H65-S213 PolarHBondContact NE2-OG 2.82Å; H65-S228 PolarHBondContact CE1-O 2.91Å
66	C	97.7	Very high	98.2	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.047	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-80.6	2.6	173.5	-60.8	0	0	0	0	113.7	C50 A63 A64 K68 M122	C50-C66 HydrophobicContact CB-CB 3.71Å; C50-C66 WeakPolarHBondContact CB-SG 3.11Å; C50-C66 WeakPolarHBondContact SG-CB 3.03Å; C50-C66 CovalentContact SG-SG 2.03Å; C50-C66 PolarHBondContact SG-SG 3.46Å; A63-C66 VanDerWaalsContact O-CB 3.28Å; A63-C66 WeakPolarHBondContact O-CB 3.39Å; A63-C66 PolarHBondContact O-N 3.02Å; A63-C66 VanDerWaalsContact O-N 3.16Å; A64-C66 PolarHBondContact O-N 3.25Å; A64-C66 VanDerWaalsContact O-N 3.11Å; C66-K68 PolarHBondContact O-N 3.41Å; C66-K68 VanDerWaalsContact O-N 3.11Å; C66-M122 HydrophobicContact CB-CE 4.37Å
67	L	97.4	Very high	98.2	Very high	56 Å²	56	35.7 Å²	35.7	29%	0.293	17%	0.171	S	C	.	.			trans	-57.8	118	-179.3	-177.2	69.8	0	0	0	111.5	A64 H65 S95 M103 M122	A64-L67 WeakPolarHBondContact O-CB 3.35Å; A64-L67 PolarHBondContact O-N 2.97Å; A64-L67 VanDerWaalsContact O-N 3.07Å; H65-L67 PolarHBondContact O-N 2.92Å; L67-S95 VanDerWaalsContact CD1-CB 3.48Å; L67-M103 HydrophobicContact CB-CE 4.31Å; L67-M103 HydrophobicContact CD2-CE 3.28Å; L67-M103 HydrophobicContact CG-CE 4.4Å; L67-M122 HydrophobicContact CB-CE 4.3Å; L67-M122 HydrophobicContact CB-SD 4.09Å; L67-M122 HydrophobicContact CD1-CE 4.45Å; L67-M122 HydrophobicContact CD1-SD 3.59Å; L67-M122 VanDerWaalsContact CD1-SD 3.59Å; L67-M122 HydrophobicContact CG-SD 4.43Å
68	K	96.4	Very high	98.2	Very high	102 Å²	102	33.9 Å²	33.9	44%	0.443	16%	0.159	S	C	.	.			trans	-138.5	148.8	172.8	-67	-66.4	-178.5	-177.1	0	109.8	C66 S71	C66-K68 PolarHBondContact O-N 3.41Å; C66-K68 VanDerWaalsContact O-N 3.11Å; K68-S71 PolarHBondContact O-OG 3.05Å; K68-S71 VanDerWaalsContact O-OG 3.12Å
69	K	96	Very high	98.1	Very high	181 Å²	181	33.3 Å²	33.3	79%	0.787	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	150.3	171.7	-69.1	-175.4	175.7	-178.2	0	109.8	S44 S71	S44-K69 PolarHBondContact OG-O 3.42Å; K69-S71 PolarHBondContact O-N 3.02Å
70	N	96.3	Very high	98.1	Very high	146 Å²	146	33.8 Å²	33.8	78%	0.781	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	32.7	173.7	-53.1	-31.9	0	0	0	114.1
71	S	98.2	Very high	97.9	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.035	19%	0.186	C	C	.	.			trans	-65.6	151.3	177.9	-62.7	0	0	0	0	112.2	Y43 K68 K69 V92	Y43-S71 CarbonylContact O-C 3.58Å; Y43-S71 WeakPolarHBondContact O-CA 3.37Å; K68-S71 PolarHBondContact O-OG 3.05Å; K68-S71 VanDerWaalsContact O-OG 3.12Å; K69-S71 PolarHBondContact O-N 3.02Å; S71-V92 WeakPolarHBondContact O-CB 3.34Å; S71-V92 PolarHBondContact O-N 3.46Å
72	Q	98.2	Very high	97.8	Very high	54 Å²	54	45.3 Å²	45.3	25%	0.252	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.9	172.6	-63.6	-69.1	-49.4	0	0	108.3	Y43 R89	Y43-Q72 PolarHBondContact N-O 2.9Å; Y43-Q72 PolarHBondContact O-N 2.99Å; Q72-R89 HydrophobicContact CB-CG 4.39Å
73	V	98.8	Very high	97.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.6	173.1	175.8	0	0	0	0	108.5	V40 V60 L75 R89 V90 V92 L124 L126	V40-V73 HydrophobicContact CB-CG1 3.65Å; V40-V73 HydrophobicContact CG1-CG1 3.9Å; V40-V73 HydrophobicContact CG2-CG1 3.81Å; V60-V73 HydrophobicContact CG2-CG1 3.94Å; V60-V73 HydrophobicContact CG2-CG2 4.42Å; V73-L75 HydrophobicContact CB-CD1 4.44Å; V73-L75 HydrophobicContact CG1-CD1 3.73Å; V73-L75 HydrophobicContact CG1-CG 3.89Å; V73-R89 WeakPolarHBondContact O-CA 3.1Å; V73-V90 PolarHBondContact N-O 2.04Å; V73-V90 PolarHBondContact O-N 2.82Å; V73-V92 HydrophobicContact CG2-CG2 3.79Å; V73-L124 HydrophobicContact CG2-CD1 4.36Å; V73-L126 HydrophobicContact CB-CD2 3.77Å; V73-L126 HydrophobicContact CG1-CD2 4.26Å; V73-L126 HydrophobicContact CG2-CD2 3.59Å
74	W	98.7	Very high	97.7	Very high	63 Å²	63	53.2 Å²	53.2	24%	0.239	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.1	171.3	-69.5	60.1	0	0	0	109.8	V40 A41 Y43 R77 Q88 R89	V40-W74 VanDerWaalsContact CA-O 3.3Å; V40-W74 WeakPolarHBondContact CA-O 3.3Å; V40-W74 WeakPolarHBondContact CB-O 3.39Å; A41-W74 HydrophobicContact CB-CB 4.47Å; A41-W74 PolarHBondContact N-O 3.43Å; A41-W74 PolarHBondContact O-N 3.21Å; Y43-W74 AromaticContact CD1-NE1 3.85Å; Y43-W74 HydrophobicContact CD2-CB 4.38Å; Y43-W74 AromaticContact CD2-CD1 3.44Å; Y43-W74 VanDerWaalsContact CD2-CD1 3.44Å; Y43-W74 AromaticContact CD2-CG 3.95Å; Y43-W74 HydrophobicContact CD2-CG 3.95Å; Y43-W74 AromaticContact CD2-NE1 3.79Å; Y43-W74 HydrophobicContact CE1-CZ2 4.49Å; Y43-W74 HydrophobicContact CE2-CB 4.35Å; Y43-W74 AromaticContact CE2-CD1 3.94Å; Y43-W74 HydrophobicContact CE2-CD2 4.41Å; Y43-W74 HydrophobicContact CE2-CG 4.03Å; Y43-W74 AromaticContact CG-CD1 3.67Å; Y43-W74 AromaticContact CG-NE1 3.59Å; W74-R77 HydrophobicContact CB-CG 4.05Å; W74-R77 HydrophobicContact CE3-CG 4.23Å; W74-Q88 CarbonylContact C-O 3.52Å; W74-Q88 VanDerWaalsContact CA-O 3.29Å; W74-Q88 WeakPolarHBondContact CA-O 3.23Å; W74-R89 HydrophobicContact CD2-CB 4.39Å; W74-R89 HydrophobicContact CD2-CG 4.35Å; W74-R89 HydrophobicContact CG-CG 4.38Å
75	L	98.8	Very high	97.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.2	-178.9	-48.4	92.8	0	0	0	110.3	V40 L54 V73 R77 G87 Q88 V90 A130 V136	V40-L75 HydrophobicContact CB-CG 4.47Å; V40-L75 HydrophobicContact CG1-CB 4.3Å; V40-L75 HydrophobicContact CG1-CD2 3.74Å; V40-L75 HydrophobicContact CG1-CG 3.64Å; L54-L75 HydrophobicContact CD1-CD2 3.75Å; L54-L75 HydrophobicContact CD2-CD2 3.91Å; L54-L75 HydrophobicContact CG-CD2 4.29Å; V73-L75 HydrophobicContact CB-CD1 4.44Å; V73-L75 HydrophobicContact CG1-CD1 3.73Å; V73-L75 HydrophobicContact CG1-CG 3.89Å; L75-R77 PolarHBondContact O-N 2.94Å; L75-G87 WeakPolarHBondContact O-CA 3.28Å; L75-Q88 HydrophobicContact CB-CB 4.4Å; L75-Q88 HydrophobicContact CD1-CB 4.28Å; L75-Q88 PolarHBondContact N-O 2.68Å; L75-Q88 PolarHBondContact O-N 3.16Å; L75-V90 HydrophobicContact CD1-CG2 4.08Å; L75-A130 HydrophobicContact CD1-CB 4.4Å; L75-A130 HydrophobicContact CD2-CB 3.79Å; L75-V136 HydrophobicContact CB-CG1 4.09Å; L75-V136 HydrophobicContact CB-CG2 4Å; L75-V136 HydrophobicContact CD2-CG1 3.93Å
76	G	98.7	Very high	97.7	Very high	3 Å²	3	61.7 Å²	61.7	3%	0.031	31%	0.308	C	S	.	.	S	Bend	trans	68	25.1	174.8	0	0	0	0	0	113.6	T86 V135	G76-T86 WeakPolarHBondContact O-CB 3.33Å; G76-T86 PolarHBondContact O-OG1 2.94Å; G76-V135 WeakPolarHBondContact CA-O 3.01Å
77	R	98.6	Very high	97.7	Very high	13 Å²	13	62.7 Å²	62.7	5%	0.049	32%	0.32	C	S	.	.			trans	-99.1	149.9	-177.7	-60.4	-59.7	-58.4	-66.6	16.4	111.8	W74 L75 N79 L80 E82 E84 W157	W74-R77 HydrophobicContact CB-CG 4.05Å; W74-R77 HydrophobicContact CE3-CG 4.23Å; L75-R77 PolarHBondContact O-N 2.94Å; R77-N79 PolarHBondContact NH2-O 3.23Å; R77-L80 HydrophobicContact CB-CD2 4.23Å; R77-L80 PolarHBondContact NH2-O 2.9Å; R77-E82 PolarHBondContact NH2-O 3.32Å; R77-E84 WeakPolarHBondContact CA-OE2 3.11Å; R77-E84 WeakPolarHBondContact CD-OE2 3.16Å; R77-E84 IonicContact CZ-OE2 2.74Å; R77-E84 IonicContact NE-OE2 2.7Å; R77-E84 PolarHBondContact NE-OE2 3.14Å; R77-E84 IonicContact NH2-OE2 3.75Å; R77-W157 HydrophobicContact CB-CH2 4.34Å; R77-W157 HydrophobicContact CB-CZ2 4.16Å
78	H	98.7	Very high	97.8	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.014	31%	0.313	C	S	.	.	S	Bend	trans	-124.1	-58.5	167.2	-174.4	68.3	0	0	0	110.5	E30 C31 E84 W157 S170 L171	E30-H78 IonicContact OE1-CD2 3.13Å; E30-H78 IonicContact OE1-CE1 3.38Å; E30-H78 IonicContact OE1-NE2 2.81Å; E30-H78 PolarHBondContact OE1-NE2 2.84Å; C31-H78 PolarHBondContact O-CE1 3.08Å; H78-E84 WeakPolarHBondContact CB-OE1 3.21Å; H78-E84 PolarHBondContact N-OE1 3.01Å; H78-E84 PolarHBondContact N-OE2 2.92Å; H78-W157 PolarHBondContact O-NE1 3.19Å; H78-S170 WeakPolarHBondContact NE2-CB 3.26Å; H78-S170 CarbonylContact O-C 3.54Å; H78-S170 VanDerWaalsContact O-CA 3.28Å; H78-S170 WeakPolarHBondContact O-CA 3.4Å; H78-L171 PolarHBondContact O-N 3.37Å
79	N	98.3	Very high	97.9	Very high	13 Å²	13	64.6 Å²	64.6	7%	0.07	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-96.1	113	174.4	-174.9	-17.1	0	0	0	111.1	R77 F81 E82 E84 R169	R77-N79 PolarHBondContact NH2-O 3.23Å; N79-F81 VanDerWaalsContact C-N 3.25Å; N79-F81 PolarHBondContact O-N 3.13Å; N79-F81 PolarHBondContact OD1-N 2.04Å; N79-E82 HydrophobicContact CB-CB 4.35Å; N79-E82 WeakPolarHBondContact ND2-CG 3.47Å; N79-E82 PolarHBondContact ND2-OE1 2.97Å; N79-E82 PolarHBondContact ND2-OE2 2.93Å; N79-E84 PolarHBondContact N-OE1 2.86Å; N79-R169 CarbonylContact C-O 3.53Å; N79-R169 VanDerWaalsContact CA-O 3.29Å; N79-R169 WeakPolarHBondContact CA-O 3.4Å; N79-R169 PolarHBondContact OD1-O 2.89Å
80	L	97.2	Very high	98	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.063	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.2	-177.1	-68.8	-173.8	0	0	0	114.4	A41 Y43 A48 R77 W157 R169	A41-L80 HydrophobicContact CB-CD2 4.17Å; Y43-L80 HydrophobicContact CE2-CD2 4.32Å; A48-L80 HydrophobicContact CB-CD1 3.87Å; R77-L80 HydrophobicContact CB-CD2 4.23Å; R77-L80 PolarHBondContact NH2-O 2.9Å; L80-W157 HydrophobicContact CD1-CB 3.7Å; L80-W157 HydrophobicContact CD1-CD2 3.66Å; L80-W157 HydrophobicContact CD1-CE3 4.22Å; L80-W157 HydrophobicContact CD1-CG 3.43Å; L80-W157 VanDerWaalsContact CD1-CG 3.43Å; L80-W157 HydrophobicContact CD2-CD2 4.08Å; L80-W157 HydrophobicContact CD2-CE3 4.45Å; L80-W157 HydrophobicContact CD2-CH2 4.29Å; L80-W157 HydrophobicContact CD2-CZ2 3.89Å; L80-W157 HydrophobicContact CG-CD2 3.85Å; L80-W157 HydrophobicContact CG-CG 3.84Å; L80-W157 HydrophobicContact CG-CZ2 4.32Å; L80-R169 PolarHBondContact N-O 3.1Å
81	F	96.5	Very high	98.1	Very high	127 Å²	127	51.6 Å²	51.6	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.2	-172.7	-59.2	-82	0	0	0	114.1	N79 R169	N79-F81 VanDerWaalsContact C-N 3.25Å; N79-F81 PolarHBondContact O-N 3.13Å; N79-F81 PolarHBondContact OD1-N 2.04Å; F81-R169 HydrophobicContact CD2-CB 3.96Å; F81-R169 HydrophobicContact CD2-CG 3.83Å; F81-R169 HydrophobicContact CE2-CB 4.47Å; F81-R169 HydrophobicContact CE2-CG 4.25Å
82	E	96.5	Very high	98.1	Very high	115 Å²	115	52.4 Å²	52.4	54%	0.537	27%	0.269	S	S	.	.	S	Bend	trans	-116.5	141.8	175.8	-73.3	171.5	-171.2	0	0	110.1	R77 N79 E84	R77-E82 PolarHBondContact NH2-O 3.32Å; N79-E82 HydrophobicContact CB-CB 4.35Å; N79-E82 WeakPolarHBondContact ND2-CG 3.47Å; N79-E82 PolarHBondContact ND2-OE1 2.97Å; N79-E82 PolarHBondContact ND2-OE2 2.93Å; E82-E84 PolarHBondContact O-N 3.2Å
83	P	96.4	Very high	98.1	Very high	128 Å²	128	52.3 Å²	52.3	83%	0.831	27%	0.274	S	S	*	.			trans	-59.1	132.9	167.4	-19.9	32.3	0	0	0	110.2
84	E	98.1	Very high	98.1	Very high	39 Å²	39	57.6 Å²	57.6	18%	0.182	30%	0.298	C	S	.	.			trans	-128.5	122.3	177	-67	176	136.1	0	0	108.5	R77 H78 N79 E82 T86 G87	R77-E84 WeakPolarHBondContact CA-OE2 3.11Å; R77-E84 WeakPolarHBondContact CD-OE2 3.16Å; R77-E84 IonicContact CZ-OE2 2.74Å; R77-E84 IonicContact NE-OE2 2.7Å; R77-E84 PolarHBondContact NE-OE2 3.14Å; R77-E84 IonicContact NH2-OE2 3.75Å; H78-E84 WeakPolarHBondContact CB-OE1 3.21Å; H78-E84 PolarHBondContact N-OE1 3.01Å; H78-E84 PolarHBondContact N-OE2 2.92Å; N79-E84 PolarHBondContact N-OE1 2.86Å; E82-E84 PolarHBondContact O-N 3.2Å; E84-T86 PolarHBondContact O-N 2.82Å; E84-T86 VanDerWaalsContact O-N 3.14Å; E84-G87 WeakPolarHBondContact O-CA 3.36Å; E84-G87 PolarHBondContact O-N 3.16Å
85	D	97.7	Very high	98.1	Very high	177 Å²	177	56.5 Å²	56.5	95%	0.947	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.8	-178	-65.3	-17.8	0	0	0	112.9	G87	D85-G87 VanDerWaalsContact C-N 3.28Å
86	T	98.1	Very high	98.1	Very high	50 Å²	50	58.4 Å²	58.4	31%	0.307	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19	172.6	54.1	0	0	0	0	113.4	H34 G76 E84 V135	H34-T86 PolarHBondContact CE1-OG1 3.35Å; G76-T86 WeakPolarHBondContact O-CB 3.33Å; G76-T86 PolarHBondContact O-OG1 2.94Å; E84-T86 PolarHBondContact O-N 2.82Å; E84-T86 VanDerWaalsContact O-N 3.14Å; T86-V135 HydrophobicContact CG2-CG1 4.48Å; T86-V135 HydrophobicContact CG2-CG2 3.91Å
87	G	98.1	Very high	98.1	Very high	29 Å²	29	60 Å²	60	30%	0.299	32%	0.319	S	S	.	.			trans	-70.7	129	-172	0	0	0	0	0	112.7	L75 E84 D85	L75-G87 WeakPolarHBondContact O-CA 3.28Å; E84-G87 WeakPolarHBondContact O-CA 3.36Å; E84-G87 PolarHBondContact O-N 3.16Å; D85-G87 VanDerWaalsContact C-N 3.28Å
88	Q	98.6	Very high	98.1	Very high	33 Å²	33	60.4 Å²	60.4	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132	173	-60.9	176.9	44.6	0	0	109.3	W74 L75 K131	W74-Q88 CarbonylContact C-O 3.52Å; W74-Q88 VanDerWaalsContact CA-O 3.29Å; W74-Q88 WeakPolarHBondContact CA-O 3.23Å; L75-Q88 HydrophobicContact CB-CB 4.4Å; L75-Q88 HydrophobicContact CD1-CB 4.28Å; L75-Q88 PolarHBondContact N-O 2.68Å; L75-Q88 PolarHBondContact O-N 3.16Å; Q88-K131 PolarHBondContact NE2-O 2.95Å
89	R	98.4	Very high	98.1	Very high	165 Å²	165	65.2 Å²	65.2	62%	0.623	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	174.4	-174.7	-179.4	71.4	-175.7	1.4	109.5	Q72 V73 W74	Q72-R89 HydrophobicContact CB-CG 4.39Å; V73-R89 WeakPolarHBondContact O-CA 3.1Å; W74-R89 HydrophobicContact CD2-CB 4.39Å; W74-R89 HydrophobicContact CD2-CG 4.35Å; W74-R89 HydrophobicContact CG-CG 4.38Å
90	V	98.7	Very high	98.1	Very high	4 Å²	4	70 Å²	70	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.4	-177.9	-167.9	0	0	0	0	110.1	V73 L75 L126 E128	V73-V90 PolarHBondContact N-O 2.04Å; V73-V90 PolarHBondContact O-N 2.82Å; L75-V90 HydrophobicContact CD1-CG2 4.08Å; V90-L126 HydrophobicContact CB-CD1 4.39Å; V90-L126 HydrophobicContact CG1-CB 3.81Å; V90-L126 HydrophobicContact CG1-CD1 4.42Å; V90-L126 HydrophobicContact CG1-CG 4.5Å; V90-E128 HydrophobicContact CG1-CG 3.84Å
91	P	98.6	Very high	98.2	Very high	50 Å²	50	70.3 Å²	70.3	33%	0.325	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	146.1	172.9	-24.5	31.9	0	0	0	113.3	S127	P91-S127 WeakPolarHBondContact CD-OG 3.28Å; P91-S127 PolarHBondContact O-N 2.81Å; P91-S127 PolarHBondContact O-OG 2.03Å
92	V	98.7	Very high	98.2	Very high	22 Å²	22	67.8 Å²	67.8	13%	0.133	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.4	165.9	177.1	0	0	0	0	108.5	S71 V73 H94 L124	S71-V92 WeakPolarHBondContact O-CB 3.34Å; S71-V92 PolarHBondContact O-N 3.46Å; V73-V92 HydrophobicContact CG2-CG2 3.79Å; V92-H94 WeakPolarHBondContact CG1-O 3.42Å; V92-L124 HydrophobicContact CG1-CB 4.23Å; V92-L124 HydrophobicContact CG1-CD2 4.02Å; V92-L124 HydrophobicContact CG2-CB 4.29Å; V92-L124 HydrophobicContact CG2-CD1 4.13Å
93	S	98.4	Very high	98.2	Very high	51 Å²	51	65.7 Å²	65.7	36%	0.357	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-50.9	173.7	173.5	0	0	0	0	111.2	R125	S93-R125 PolarHBondContact N-O 3.13Å; S93-R125 PolarHBondContact OG-NH1 2.63Å
94	H	98.5	Very high	98.2	Very high	111 Å²	111	62.2 Å²	62.2	51%	0.514	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.2	-178.5	-76.8	74.8	0	0	0	110.8	V92 F96 R125	V92-H94 WeakPolarHBondContact CG1-O 3.42Å; H94-F96 HydrophobicContact CB-CD2 4.34Å; H94-F96 HydrophobicContact CB-CE2 3.47Å; H94-F96 VanDerWaalsContact CB-CE2 3.47Å; H94-F96 HydrophobicContact CB-CZ 3.73Å; H94-R125 PolarHBondContact N-O 3.5Å; H94-R125 PolarHBondContact O-N 2.82Å
95	S	98.7	Very high	98	Very high	41 Å²	41	60.9 Å²	60.9	29%	0.287	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.8	177.1	-56.4	0	0	0	0	109.6	L67 P97 L124	L67-S95 VanDerWaalsContact CD1-CB 3.48Å; S95-P97 WeakPolarHBondContact O-CD 3.47Å; S95-L124 WeakPolarHBondContact OG-CD2 3.49Å
96	F	98.8	Very high	97.6	Very high	40 Å²	40	56 Å²	56	18%	0.175	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	76.9	-175.8	-58.9	-94.2	0	0	0	108.9	W59 H94 M122 L123 R125 W252 T256 N260	W59-F96 HydrophobicContact CH2-CD2 4.02Å; W59-F96 AromaticContact CH2-CE2 3.64Å; W59-F96 HydrophobicContact CH2-CE2 3.64Å; W59-F96 HydrophobicContact CH2-CZ 4.2Å; W59-F96 AromaticContact CZ3-CD2 3.59Å; W59-F96 HydrophobicContact CZ3-CD2 3.59Å; W59-F96 AromaticContact CZ3-CE2 3.64Å; W59-F96 HydrophobicContact CZ3-CE2 3.64Å; W59-F96 HydrophobicContact CZ3-CG 4.48Å; H94-F96 HydrophobicContact CB-CD2 4.34Å; H94-F96 HydrophobicContact CB-CE2 3.47Å; H94-F96 VanDerWaalsContact CB-CE2 3.47Å; H94-F96 HydrophobicContact CB-CZ 3.73Å; F96-M122 WeakPolarHBondContact O-CA 3.36Å; F96-L123 HydrophobicContact CB-CB 4.16Å; F96-L123 PolarHBondContact N-O 3.44Å; F96-L123 PolarHBondContact O-N 2.95Å; F96-R125 HydrophobicContact CE2-CB 3.97Å; F96-W252 WeakPolarHBondContact O-CH2 3.47Å; F96-W252 WeakPolarHBondContact O-CZ2 3.29Å; F96-T256 HydrophobicContact CB-CG2 4.01Å; F96-T256 HydrophobicContact CD1-CG2 4.03Å; F96-T256 HydrophobicContact CG-CG2 3.95Å; F96-N260 HydrophobicContact CE1-CB 4.1Å; F96-N260 VanDerWaalsContact CE1-CG 3.49Å; F96-N260 WeakPolarHBondContact CE1-OD1 3.28Å; F96-N260 HydrophobicContact CZ-CB 3.76Å
97	P	98.7	Very high	97	Very high	38 Å²	38	61.9 Å²	61.9	25%	0.247	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.5	170.6	28.1	-34.1	0	0	0	109.6	A64 S95 M103 M122	A64-P97 HydrophobicContact CB-CB 4.18Å; S95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-M103 HydrophobicContact CB-SD 4.35Å; P97-M122 HydrophobicContact CB-CB 4.45Å; P97-M122 HydrophobicContact CB-CG 4.42Å; P97-M122 HydrophobicContact CB-SD 4.36Å
98	H	98.8	Very high	96.2	Very high	21 Å²	21	63.2 Å²	63.2	10%	0.097	33%	0.327	C	S	.	.			trans	-58.9	130.3	178.5	-168.3	-86.1	0	0	0	109.4	L100 Y101 H119 L121 Y249 W252	H98-L100 PolarHBondContact ND1-N 3.11Å; H98-L100 PolarHBondContact O-N 3.11Å; H98-Y101 WeakPolarHBondContact O-CB 3.3Å; H98-Y101 PolarHBondContact O-N 2.85Å; H98-H119 HydrophobicContact CB-CB 4.22Å; H98-H119 WeakPolarHBondContact CB-O 3.48Å; H98-H119 WeakPolarHBondContact ND1-CB 3.38Å; H98-H119 AromaticContact ND1-CG 3.91Å; H98-L121 HydrophobicContact CB-CB 4.41Å; H98-L121 WeakPolarHBondContact CB-O 3.23Å; H98-L121 PolarHBondContact N-O 2.86Å; H98-Y249 AromaticContact CD2-CD1 3.5Å; H98-Y249 AromaticContact CD2-CE1 3.71Å; H98-Y249 AromaticContact NE2-CD1 3.56Å; H98-Y249 AromaticContact NE2-CE1 3.68Å; H98-W252 HydrophobicContact CB-CH2 4.39Å; H98-W252 HydrophobicContact CB-CZ2 4.2Å; H98-W252 AromaticContact CD2-CD1 3.9Å; H98-W252 AromaticContact CD2-CD2 3.41Å; H98-W252 VanDerWaalsContact CD2-CD2 3.41Å; H98-W252 AromaticContact CD2-CE2 3.59Å; H98-W252 AromaticContact CD2-CE3 3.79Å; H98-W252 AromaticContact CD2-CG 3.64Å; H98-W252 AromaticContact CD2-NE1 3.88Å; H98-W252 AromaticContact NE2-CD1 4Å; H98-W252 AromaticContact NE2-CG 3.79Å
99	P	98.4	Very high	95	Very high	103 Å²	103	71.5 Å²	71.5	67%	0.669	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.2	-172.8	-26.7	34.3	0	0	0	115
100	L	98.6	Very high	94.3	Very high	115 Å²	115	67 Å²	67	60%	0.602	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.2	179	-56.7	-178	0	0	0	114	H98 N102 H119	H98-L100 PolarHBondContact ND1-N 3.11Å; H98-L100 PolarHBondContact O-N 3.11Å; L100-N102 PolarHBondContact O-N 3.21Å; L100-H119 HydrophobicContact CB-CB 4.19Å; L100-H119 WeakPolarHBondContact CB-CD2 3.22Å
101	Y	98.4	Very high	93.7	Very high	18 Å²	18	68.6 Å²	68.6	7%	0.071	37%	0.368	C	S	.	.	S	Bend	trans	-71.4	128.7	174.1	-175.4	-113	0	0	0	110.3	A64 H65 H98 M103 L105 H119 D120	A64-Y101 HydrophobicContact CB-CD1 3.36Å; A64-Y101 HydrophobicContact CB-CD2 4.18Å; A64-Y101 HydrophobicContact CB-CE1 3.83Å; A64-Y101 HydrophobicContact CB-CG 3.56Å; H65-Y101 WeakPolarHBondContact CB-OH 3.48Å; H98-Y101 WeakPolarHBondContact O-CB 3.3Å; H98-Y101 PolarHBondContact O-N 2.85Å; Y101-M103 HydrophobicContact CD1-CG 4.37Å; Y101-M103 HydrophobicContact CD1-SD 3.63Å; Y101-M103 HydrophobicContact CE1-SD 4.08Å; Y101-M103 PolarHBondContact O-N 3.04Å; Y101-L105 HydrophobicContact CE2-CD1 4.29Å; Y101-H119 WeakPolarHBondContact CB-O 3.47Å; Y101-D120 VanDerWaalsContact CD2-CA 3.47Å; Y101-D120 HydrophobicContact CD2-CB 3.86Å; Y101-D120 HydrophobicContact CE2-CB 3.59Å
102	N	97.5	Very high	93.3	Very high	74 Å²	74	72.8 Å²	72.8	40%	0.396	38%	0.377	S	S	.	.			trans	-74.8	90.8	176.9	-178.2	8.5	0	0	0	111.1	L100 S104 L105	L100-N102 PolarHBondContact O-N 3.21Å; N102-S104 VanDerWaalsContact CG-OG 3.25Å; N102-S104 PolarHBondContact ND2-OG 3.35Å; N102-S104 PolarHBondContact O-N 3.27Å; N102-S104 WeakPolarHBondContact OD1-CB 3.27Å; N102-S104 PolarHBondContact OD1-N 2.97Å; N102-S104 VanDerWaalsContact OD1-N 3.11Å; N102-S104 PolarHBondContact OD1-OG 3.23Å; N102-L105 HydrophobicContact CB-CD1 4.1Å; N102-L105 HydrophobicContact CB-CG 4.07Å; N102-L105 WeakPolarHBondContact O-CB 3.03Å; N102-L105 VanDerWaalsContact O-CG 3.31Å; N102-L105 WeakPolarHBondContact O-CG 3.44Å; N102-L105 PolarHBondContact O-N 3.18Å
103	M	96.4	Very high	92.9	Very high	71 Å²	71	75.8 Å²	75.8	35%	0.35	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.9	-14.8	178.3	-67.9	-63.8	-68.9	0	0	114.4	L67 P97 Y101 L105 L106	L67-M103 HydrophobicContact CB-CE 4.31Å; L67-M103 HydrophobicContact CD2-CE 3.28Å; L67-M103 HydrophobicContact CG-CE 4.4Å; P97-M103 HydrophobicContact CB-SD 4.35Å; Y101-M103 HydrophobicContact CD1-CG 4.37Å; Y101-M103 HydrophobicContact CD1-SD 3.63Å; Y101-M103 HydrophobicContact CE1-SD 4.08Å; Y101-M103 PolarHBondContact O-N 3.04Å; M103-L105 VanDerWaalsContact C-N 3.26Å; M103-L105 PolarHBondContact O-N 3.33Å; M103-L106 HydrophobicContact CE-CD1 3.46Å; M103-L106 VanDerWaalsContact CE-CD1 3.46Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.18Å
104	S	95.1	Very high	92.6	Very high	54 Å²	54	79 Å²	79	38%	0.378	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-70.7	-21.2	175.1	73.5	0	0	0	0	113.5	N102 L106 K107	N102-S104 VanDerWaalsContact CG-OG 3.25Å; N102-S104 PolarHBondContact ND2-OG 3.35Å; N102-S104 PolarHBondContact O-N 3.27Å; N102-S104 WeakPolarHBondContact OD1-CB 3.27Å; N102-S104 PolarHBondContact OD1-N 2.97Å; N102-S104 VanDerWaalsContact OD1-N 3.11Å; N102-S104 PolarHBondContact OD1-OG 3.23Å; S104-L106 PolarHBondContact O-N 3.3Å; S104-K107 WeakPolarHBondContact O-CB 3.45Å; S104-K107 WeakPolarHBondContact O-CG 3.13Å; S104-K107 PolarHBondContact O-N 3.11Å; S104-K107 VanDerWaalsContact O-N 3.11Å
105	L	94	Very high	92.4	Very high	12 Å²	12	75.2 Å²	75.2	6%	0.063	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-60.8	-27.4	175.7	-63.2	175.7	0	0	0	112.3	Y101 N102 M103 K107 H108 L111 E115 D116	Y101-L105 HydrophobicContact CE2-CD1 4.29Å; N102-L105 HydrophobicContact CB-CD1 4.1Å; N102-L105 HydrophobicContact CB-CG 4.07Å; N102-L105 WeakPolarHBondContact O-CB 3.03Å; N102-L105 VanDerWaalsContact O-CG 3.31Å; N102-L105 WeakPolarHBondContact O-CG 3.44Å; N102-L105 PolarHBondContact O-N 3.18Å; M103-L105 VanDerWaalsContact C-N 3.26Å; M103-L105 PolarHBondContact O-N 3.33Å; L105-K107 PolarHBondContact O-N 2.79Å; L105-H108 PolarHBondContact O-N 3.42Å; L105-L111 HydrophobicContact CD1-CD2 4.21Å; L105-L111 HydrophobicContact CD2-CD2 4.35Å; L105-E115 HydrophobicContact CD2-CB 4.01Å; L105-E115 VanDerWaalsContact CD2-CD 3.47Å; L105-E115 HydrophobicContact CD2-CG 4Å; L105-D116 WeakPolarHBondContact CD1-O 3Å
106	L	89.6	Confident	92.3	Very high	74 Å²	74	76.3 Å²	76.3	39%	0.387	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61.4	-11.8	175.9	-67.8	-179.1	0	0	0	114.5	H65 M103 S104 H108	H65-L106 HydrophobicContact CB-CD2 3.67Å; M103-L106 HydrophobicContact CE-CD1 3.46Å; M103-L106 VanDerWaalsContact CE-CD1 3.46Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.18Å; S104-L106 PolarHBondContact O-N 3.3Å; L106-H108 VanDerWaalsContact C-N 3.31Å
107	K	85.7	Confident	92.3	Very high	174 Å²	174	74.6 Å²	74.6	76%	0.757	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-79.6	-16.7	175.7	-63.1	177.6	-179	178.1	0	112.4	S104 L105	S104-K107 WeakPolarHBondContact O-CB 3.45Å; S104-K107 WeakPolarHBondContact O-CG 3.13Å; S104-K107 PolarHBondContact O-N 3.11Å; S104-K107 VanDerWaalsContact O-N 3.11Å; L105-K107 PolarHBondContact O-N 2.79Å
108	H	81.8	Confident	92.3	Very high	56 Å²	56	73 Å²	73	26%	0.259	38%	0.378	S	S	.	.	S	Bend	trans	-99.7	147.5	-179.4	-54.6	159.4	0	0	0	109.8	L105 L106 S110 R112 E115	L105-H108 PolarHBondContact O-N 3.42Å; L106-H108 VanDerWaalsContact C-N 3.31Å; H108-S110 VanDerWaalsContact CB-O 3.27Å; H108-S110 WeakPolarHBondContact CB-O 3.07Å; H108-R112 PolarHBondContact CD2-NH2 3.39Å; H108-R112 PolarHBondContact NE2-NH1 3.05Å; H108-E115 IonicContact CE1-OE1 3.64Å; H108-E115 PolarHBondContact CE1-OE1 2.8Å; H108-E115 IonicContact ND1-OE1 3.92Å; H108-E115 PolarHBondContact ND1-OE1 2.73Å; H108-E115 IonicContact ND1-OE2 3.66Å
109	Q	74.2	Confident	92.3	Very high	207 Å²	207	73.2 Å²	73.2	97%	0.967	38%	0.379	S	S	*	.	S	Bend	trans	-75.2	-32.4	176	-71.1	178.2	-12.6	0	0	111.5
110	S	82.5	Confident	92.3	Very high	70 Å²	70	68.4 Å²	68.4	49%	0.49	35%	0.348	S	S	.	.	S	Bend	trans	-135	159.7	176.6	67.4	0	0	0	0	109.4	H108	H108-S110 VanDerWaalsContact CB-O 3.27Å; H108-S110 WeakPolarHBondContact CB-O 3.07Å
111	L	87.1	Confident	92.3	Very high	39 Å²	39	63 Å²	63	20%	0.204	32%	0.319	C	S	.	.			trans	-64	148.7	168.6	-65.7	172.8	0	0	0	110	L105 E115 E190 W229	L105-L111 HydrophobicContact CD1-CD2 4.21Å; L105-L111 HydrophobicContact CD2-CD2 4.35Å; L111-E115 WeakPolarHBondContact CA-OE2 3.36Å; L111-E115 HydrophobicContact CD2-CB 4.42Å; L111-E190 HydrophobicContact CB-CG 3.73Å; L111-E190 HydrophobicContact CD1-CG 4.3Å; L111-W229 HydrophobicContact CD1-CB 4.12Å; L111-W229 HydrophobicContact CD1-CD2 3.76Å; L111-W229 HydrophobicContact CD1-CE3 4.3Å; L111-W229 HydrophobicContact CD1-CG 3.66Å
112	R	89.4	Confident	92.3	Very high	138 Å²	138	62.2 Å²	62.2	52%	0.521	32%	0.317	S	S	.	.			trans	-106.4	161.3	175.9	-61.6	178.5	177.7	171.6	2.6	110.2	H108 D114 E115	H108-R112 PolarHBondContact CD2-NH2 3.39Å; H108-R112 PolarHBondContact NE2-NH1 3.05Å; R112-D114 PolarHBondContact O-N 2.93Å; R112-E115 HydrophobicContact CB-CG 3.95Å; R112-E115 PolarHBondContact N-OE2 2.94Å; R112-E115 VanDerWaalsContact O-CB 3.31Å; R112-E115 WeakPolarHBondContact O-CB 3.23Å; R112-E115 WeakPolarHBondContact O-CG 3.11Å; R112-E115 PolarHBondContact O-N 3.11Å; R112-E115 VanDerWaalsContact O-N 3.11Å
113	P	90.8	Very high	92.4	Very high	85 Å²	85	58.7 Å²	58.7	55%	0.552	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	139.9	171.9	-29.6	36.3	0	0	0	112.4	E115	P113-E115 PolarHBondContact O-N 2.91Å; P113-E115 VanDerWaalsContact O-N 3.11Å
114	D	92	Very high	92.5	Very high	118 Å²	118	55.4 Å²	55.4	63%	0.631	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	0.8	-179	-55.7	-57.9	0	0	0	116.8	R112 S189 K191	R112-D114 PolarHBondContact O-N 2.93Å; D114-S189 PolarHBondContact N-O 2.75Å; D114-K191 WeakPolarHBondContact O-CE 3.36Å
115	E	94.3	Very high	92.7	Very high	32 Å²	32	55.2 Å²	55.2	15%	0.15	27%	0.273	C	S	.	.			trans	-66.7	140.9	173.5	-71.6	-171	153.5	0	0	111.3	L105 H108 L111 R112 P113 K191	L105-E115 HydrophobicContact CD2-CB 4.01Å; L105-E115 VanDerWaalsContact CD2-CD 3.47Å; L105-E115 HydrophobicContact CD2-CG 4Å; H108-E115 IonicContact CE1-OE1 3.64Å; H108-E115 PolarHBondContact CE1-OE1 2.8Å; H108-E115 IonicContact ND1-OE1 3.92Å; H108-E115 PolarHBondContact ND1-OE1 2.73Å; H108-E115 IonicContact ND1-OE2 3.66Å; L111-E115 WeakPolarHBondContact CA-OE2 3.36Å; L111-E115 HydrophobicContact CD2-CB 4.42Å; R112-E115 HydrophobicContact CB-CG 3.95Å; R112-E115 PolarHBondContact N-OE2 2.94Å; R112-E115 VanDerWaalsContact O-CB 3.31Å; R112-E115 WeakPolarHBondContact O-CB 3.23Å; R112-E115 WeakPolarHBondContact O-CG 3.11Å; R112-E115 PolarHBondContact O-N 3.11Å; R112-E115 VanDerWaalsContact O-N 3.11Å; P113-E115 PolarHBondContact O-N 2.91Å; P113-E115 VanDerWaalsContact O-N 3.11Å; E115-K191 PolarHBondContact O-N 3.46Å
116	D	97	Very high	92.9	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.342	27%	0.27	S	S	.	.			trans	-109.3	102	179.1	-167.4	-15.3	0	0	0	109.9	L105 S118 K191	L105-D116 WeakPolarHBondContact CD1-O 3Å; D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 3.41Å; D116-S118 PolarHBondContact OD1-OG 3.42Å; D116-K191 HydrophobicContact CB-CB 4.41Å; D116-K191 HydrophobicContact CB-CD 4.07Å
117	S	97.3	Very high	93.3	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.021	27%	0.27	C	S	.	.			trans	-89.7	17.5	176	55.3	0	0	0	0	112.9	D120 W229	S117-D120 WeakPolarHBondContact O-CB 3.44Å; S117-D120 PolarHBondContact O-N 2.83Å; S117-W229 PolarHBondContact OG-NE1 2.94Å
118	S	98.4	Very high	93.9	Very high	5 Å²	5	51.2 Å²	51.2	4%	0.035	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	149.4	175.8	-66.3	0	0	0	0	112.1	D116 D120 T193	D116-S118 VanDerWaalsContact C-N 3.27Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 3.41Å; D116-S118 PolarHBondContact OD1-OG 3.42Å; S118-D120 VanDerWaalsContact C-N 3.26Å; S118-D120 PolarHBondContact O-N 3.2Å; S118-T193 WeakPolarHBondContact OG-CG2 3.35Å; S118-T193 PolarHBondContact OG-OG1 3.04Å
119	H	98.7	Very high	94.8	Very high	26 Å²	26	52.1 Å²	52.1	12%	0.12	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	26.1	179.9	-33.5	-77.7	0	0	0	115	H98 L100 Y101 L121 F195 Y249	H98-H119 HydrophobicContact CB-CB 4.22Å; H98-H119 WeakPolarHBondContact CB-O 3.48Å; H98-H119 WeakPolarHBondContact ND1-CB 3.38Å; H98-H119 AromaticContact ND1-CG 3.91Å; L100-H119 HydrophobicContact CB-CB 4.19Å; L100-H119 WeakPolarHBondContact CB-CD2 3.22Å; Y101-H119 WeakPolarHBondContact CB-O 3.47Å; H119-L121 PolarHBondContact O-N 2.94Å; H119-F195 AromaticContact CE1-CD2 3.59Å; H119-F195 AromaticContact CE1-CE2 3.71Å; H119-F195 AromaticContact CE1-CG 3.81Å; H119-Y249 WeakPolarHBondContact CA-OH 3.24Å; H119-Y249 HydrophobicContact CB-CE1 3.98Å; H119-Y249 PolarHBondContact N-OH 2.83Å; H119-Y249 AromaticContact ND1-CE1 3.54Å; H119-Y249 AromaticContact ND1-CZ 3.63Å; H119-Y249 PolarHBondContact ND1-OH 2.83Å
120	D	98.7	Very high	95.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	23%	0.228	C	C	.	.			trans	-66.8	74.8	170.1	-173.6	23.8	0	0	0	111.7	A64 H65 Y101 S117 S118 S228 T244	A64-D120 WeakPolarHBondContact CA-OD1 3.04Å; A64-D120 WeakPolarHBondContact CB-OD1 3.21Å; A64-D120 PolarHBondContact N-OD1 2.79Å; H65-D120 IonicContact CE1-OD2 3.27Å; H65-D120 PolarHBondContact CE1-OD2 3.11Å; H65-D120 IonicContact CG-OD1 2.79Å; H65-D120 IonicContact CG-OD2 3.27Å; H65-D120 PolarHBondContact N-OD1 3.17Å; H65-D120 IonicContact ND1-OD1 2.99Å; H65-D120 PolarHBondContact ND1-OD1 3.47Å; H65-D120 IonicContact ND1-OD2 3.65Å; H65-D120 PolarHBondContact ND1-OD2 3.2Å; Y101-D120 VanDerWaalsContact CD2-CA 3.47Å; Y101-D120 HydrophobicContact CD2-CB 3.86Å; Y101-D120 HydrophobicContact CE2-CB 3.59Å; S117-D120 WeakPolarHBondContact O-CB 3.44Å; S117-D120 PolarHBondContact O-N 2.83Å; S118-D120 VanDerWaalsContact C-N 3.26Å; S118-D120 PolarHBondContact O-N 3.2Å; D120-S228 WeakPolarHBondContact CB-OG 3.24Å; D120-S228 WeakPolarHBondContact OD2-CB 3.43Å; D120-S228 PolarHBondContact OD2-OG 2.91Å; D120-T244 PolarHBondContact O-OG1 2.76Å
121	L	98.9	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.			trans	-147.7	138.5	-173.5	-158.7	69.4	0	0	0	110.2	L61 T62 H98 H119 I226 T244 Y249 W252	L61-L121 HydrophobicContact CD1-CD1 4.1Å; L61-L121 HydrophobicContact CD1-CD2 4.2Å; L61-L121 HydrophobicContact CD1-CG 3.93Å; L61-L121 HydrophobicContact CD2-CD1 3.99Å; L61-L121 HydrophobicContact CG-CD1 3.88Å; L61-L121 HydrophobicContact CG-CG 4.29Å; T62-L121 CarbonylContact O-C 3.56Å; T62-L121 WeakPolarHBondContact O-CA 3.07Å; H98-L121 HydrophobicContact CB-CB 4.41Å; H98-L121 WeakPolarHBondContact CB-O 3.23Å; H98-L121 PolarHBondContact N-O 2.86Å; H119-L121 PolarHBondContact O-N 2.94Å; L121-I226 HydrophobicContact CD1-CB 4.02Å; L121-I226 HydrophobicContact CD1-CG1 3.72Å; L121-I226 HydrophobicContact CD1-CG2 4.36Å; L121-T244 HydrophobicContact CB-CG2 4.11Å; L121-T244 HydrophobicContact CD1-CG2 4Å; L121-T244 HydrophobicContact CD2-CG2 4.47Å; L121-T244 HydrophobicContact CG-CG2 4.44Å; L121-Y249 VanDerWaalsContact CD2-CB 3.5Å; L121-Y249 HydrophobicContact CD2-CD1 3.77Å; L121-Y249 HydrophobicContact CD2-CD2 3.84Å; L121-Y249 HydrophobicContact CD2-CE1 4.44Å; L121-Y249 HydrophobicContact CD2-CG 3.41Å; L121-Y249 VanDerWaalsContact CD2-CG 3.41Å; L121-W252 HydrophobicContact CD2-CE3 4.11Å; L121-W252 HydrophobicContact CD2-CZ3 3.72Å; L121-W252 HydrophobicContact CG-CZ3 4.09Å
122	M	98.9	Very high	97.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.5	179.3	173.6	169.7	64.7	0	0	110.9	L61 T62 A64 C66 L67 F96 P97 L124	L61-M122 WeakPolarHBondContact CA-O 3.36Å; T62-M122 HydrophobicContact CG2-CB 4.17Å; T62-M122 HydrophobicContact CG2-CE 3.52Å; T62-M122 HydrophobicContact CG2-CG 4.42Å; T62-M122 PolarHBondContact N-O 3.16Å; T62-M122 PolarHBondContact O-N 2.59Å; A64-M122 HydrophobicContact CB-CB 4.39Å; C66-M122 HydrophobicContact CB-CE 4.37Å; L67-M122 HydrophobicContact CB-CE 4.3Å; L67-M122 HydrophobicContact CB-SD 4.09Å; L67-M122 HydrophobicContact CD1-CE 4.45Å; L67-M122 HydrophobicContact CD1-SD 3.59Å; L67-M122 VanDerWaalsContact CD1-SD 3.59Å; L67-M122 HydrophobicContact CG-SD 4.43Å; F96-M122 WeakPolarHBondContact O-CA 3.36Å; P97-M122 HydrophobicContact CB-CB 4.45Å; P97-M122 HydrophobicContact CB-CG 4.42Å; P97-M122 HydrophobicContact CB-SD 4.36Å; M122-L124 HydrophobicContact CE-CD2 3.65Å; M122-L124 HydrophobicContact CE-CG 4.32Å; M122-L124 HydrophobicContact CG-CD2 4.05Å; M122-L124 HydrophobicContact SD-CD2 3.86Å
123	L	98.9	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.4	166.5	-83.6	168.7	0	0	0	110	V55 W59 V60 L61 F96 W252 I253 T256 I257	V55-L123 HydrophobicContact CG2-CD2 4.2Å; W59-L123 HydrophobicContact CB-CD2 4.32Å; W59-L123 HydrophobicContact CE3-CB 3.93Å; W59-L123 HydrophobicContact CE3-CD1 4.47Å; W59-L123 HydrophobicContact CE3-CD2 4.12Å; W59-L123 HydrophobicContact CE3-CG 4.42Å; W59-L123 HydrophobicContact CZ3-CB 3.96Å; W59-L123 HydrophobicContact CZ3-CD1 4.49Å; V60-L123 CarbonylContact O-C 3.57Å; V60-L123 WeakPolarHBondContact O-CA 3.49Å; L61-L123 HydrophobicContact CD1-CD2 3.65Å; L61-L123 HydrophobicContact CD1-CG 3.79Å; F96-L123 HydrophobicContact CB-CB 4.16Å; F96-L123 PolarHBondContact N-O 3.44Å; F96-L123 PolarHBondContact O-N 2.95Å; L123-W252 HydrophobicContact CB-CH2 4.24Å; L123-W252 HydrophobicContact CD1-CH2 4.1Å; L123-W252 HydrophobicContact CD1-CZ3 4.1Å; L123-W252 HydrophobicContact CG-CH2 3.98Å; L123-W252 HydrophobicContact CG-CZ3 4.08Å; L123-I253 HydrophobicContact CD1-CB 4.5Å; L123-I253 HydrophobicContact CD1-CG2 4.31Å; L123-I253 HydrophobicContact CD2-CG2 4.48Å; L123-T256 HydrophobicContact CD1-CG2 3.68Å; L123-I257 HydrophobicContact CD1-CG1 4.32Å
124	L	98.9	Very high	98	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.1	170.9	-58.9	178.9	0	0	0	108.3	V42 W59 V60 T62 V73 V92 S95 M122	V42-L124 HydrophobicContact CG1-CD1 4.19Å; V42-L124 HydrophobicContact CG2-CD1 4.08Å; W59-L124 WeakPolarHBondContact CA-O 3.31Å; V60-L124 HydrophobicContact CB-CB 4.22Å; V60-L124 HydrophobicContact CG1-CD1 4.42Å; V60-L124 PolarHBondContact N-O 3.05Å; V60-L124 PolarHBondContact O-N 3.26Å; T62-L124 HydrophobicContact CG2-CD1 3.84Å; T62-L124 HydrophobicContact CG2-CG 3.95Å; V73-L124 HydrophobicContact CG2-CD1 4.36Å; V92-L124 HydrophobicContact CG1-CB 4.23Å; V92-L124 HydrophobicContact CG1-CD2 4.02Å; V92-L124 HydrophobicContact CG2-CB 4.29Å; V92-L124 HydrophobicContact CG2-CD1 4.13Å; S95-L124 WeakPolarHBondContact OG-CD2 3.49Å; M122-L124 HydrophobicContact CE-CD2 3.65Å; M122-L124 HydrophobicContact CE-CG 4.32Å; M122-L124 HydrophobicContact CG-CD2 4.05Å; M122-L124 HydrophobicContact SD-CD2 3.86Å
125	R	98.8	Very high	98.4	Very high	50 Å²	50	43 Å²	43	19%	0.189	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.9	171.1	-174.6	172.3	169.1	-102.2	-3.5	109	W59 S93 H94 F96 N260 P261	W59-R125 HydrophobicContact CD2-CB 4.21Å; W59-R125 HydrophobicContact CD2-CG 4.38Å; W59-R125 HydrophobicContact CE3-CB 3.84Å; W59-R125 HydrophobicContact CE3-CG 4.48Å; W59-R125 HydrophobicContact CH2-CB 3.76Å; W59-R125 HydrophobicContact CH2-CG 4.1Å; W59-R125 HydrophobicContact CZ2-CB 4.12Å; W59-R125 HydrophobicContact CZ2-CG 3.97Å; W59-R125 HydrophobicContact CZ3-CB 3.61Å; W59-R125 HydrophobicContact CZ3-CG 4.36Å; S93-R125 PolarHBondContact N-O 3.13Å; S93-R125 PolarHBondContact OG-NH1 2.63Å; H94-R125 PolarHBondContact N-O 3.5Å; H94-R125 PolarHBondContact O-N 2.82Å; F96-R125 HydrophobicContact CE2-CB 3.97Å; R125-N260 VanDerWaalsContact CD-O 3.28Å; R125-N260 WeakPolarHBondContact CD-O 3.38Å; R125-N260 PolarHBondContact NE-O 3.15Å; R125-P261 VanDerWaalsContact CZ-C 3.44Å; R125-P261 PolarHBondContact NE-O 3.16Å; R125-P261 PolarHBondContact NE-OXT 3.37Å; R125-P261 PolarHBondContact NH2-O 3.17Å; R125-P261 PolarHBondContact NH2-OXT 3Å
126	L	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	148.8	175.6	-56.1	-175.5	0	0	0	110.6	Q58 V60 V73 V90 E128 A130	Q58-L126 HydrophobicContact CG-CB 4.07Å; Q58-L126 WeakPolarHBondContact CG-O 3.45Å; Q58-L126 PolarHBondContact NE2-O 3.39Å; Q58-L126 PolarHBondContact O-N 3.48Å; V60-L126 HydrophobicContact CG2-CD2 4.25Å; V73-L126 HydrophobicContact CB-CD2 3.77Å; V73-L126 HydrophobicContact CG1-CD2 4.26Å; V73-L126 HydrophobicContact CG2-CD2 3.59Å; V90-L126 HydrophobicContact CB-CD1 4.39Å; V90-L126 HydrophobicContact CG1-CB 3.81Å; V90-L126 HydrophobicContact CG1-CD1 4.42Å; V90-L126 HydrophobicContact CG1-CG 4.5Å; L126-E128 VanDerWaalsContact CB-O 3.25Å; L126-E128 WeakPolarHBondContact CB-O 3.46Å; L126-E128 PolarHBondContact O-N 2.99Å; L126-A130 HydrophobicContact CD1-CB 4.37Å
127	S	98.6	Very high	98.7	Very high	57 Å²	57	42.3 Å²	42.3	40%	0.399	22%	0.219	S	C	.	.	S	Bend	trans	-60.6	-28.4	177.6	57.6	0	0	0	0	113.3	P91	P91-S127 WeakPolarHBondContact CD-OG 3.28Å; P91-S127 PolarHBondContact O-N 2.81Å; P91-S127 PolarHBondContact O-OG 2.03Å
128	E	98.6	Very high	98.7	Very high	118 Å²	118	45 Å²	45	55%	0.551	23%	0.234	S	C	*	.	S	Bend	trans	-146.8	156.2	173.3	56.8	-176.2	-167.5	0	0	109.2	V90 L126 A130	V90-E128 HydrophobicContact CG1-CG 3.84Å; L126-E128 VanDerWaalsContact CB-O 3.25Å; L126-E128 WeakPolarHBondContact CB-O 3.46Å; L126-E128 PolarHBondContact O-N 2.99Å; E128-A130 PolarHBondContact O-N 3.09Å
129	P	98.8	Very high	98.8	Very high	76 Å²	76	45 Å²	45	49%	0.494	23%	0.234	S	C	.	.			trans	-60.1	135.3	172.8	-20.1	30.9	0	0	0	111.7	P57 Q58	P57-P129 HydrophobicContact CB-CB 4.16Å; P57-P129 CarbonylContact O-C 3.56Å; P57-P129 WeakPolarHBondContact O-CA 3.42Å; Q58-P129 HydrophobicContact CB-CB 4.2Å; Q58-P129 HydrophobicContact CB-CG 4.17Å; Q58-P129 HydrophobicContact CG-CG 4.25Å
130	A	98.8	Very high	98.7	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	25%	0.247	C	C	.	.			trans	-62.2	145.5	167.6	0	0	0	0	0	110.7	P57 L75 L126 E128 I132 V136	P57-A130 WeakPolarHBondContact O-CB 3.42Å; P57-A130 PolarHBondContact O-N 2.79Å; L75-A130 HydrophobicContact CD1-CB 4.4Å; L75-A130 HydrophobicContact CD2-CB 3.79Å; L126-A130 HydrophobicContact CD1-CB 4.37Å; E128-A130 PolarHBondContact O-N 3.09Å; A130-I132 PolarHBondContact O-N 3.41Å; A130-V136 HydrophobicContact CB-CG1 4.29Å
131	K	98.8	Very high	98.7	Very high	159 Å²	159	47 Å²	47	69%	0.691	26%	0.255	S	S	*	.			trans	-74.2	114.3	174	-65.4	176	-177.4	173.1	0	108.5	Q88 T133	Q88-K131 PolarHBondContact NE2-O 2.95Å; K131-T133 PolarHBondContact O-N 3.34Å
132	I	98.8	Very high	98.7	Very high	89 Å²	89	47.1 Å²	47.1	46%	0.456	26%	0.255	S	S	.	.			trans	-71.6	125.5	175.6	-57.2	-54.3	0	0	0	109	L54 P57 A130 V136 V138	L54-I132 HydrophobicContact CD2-CD1 4.09Å; P57-I132 HydrophobicContact CB-CD1 4.13Å; P57-I132 HydrophobicContact CB-CG1 4.25Å; P57-I132 HydrophobicContact CG-CD1 4.1Å; P57-I132 HydrophobicContact CG-CG1 4.04Å; A130-I132 PolarHBondContact O-N 3.41Å; I132-V136 WeakPolarHBondContact CA-O 3.16Å; I132-V138 HydrophobicContact CD1-CG2 4.27Å
133	T	98.7	Very high	98.7	Very high	58 Å²	58	51.6 Å²	51.6	36%	0.356	28%	0.283	S	S	.	.			trans	-140.4	-173.4	-176.6	61.9	0	0	0	0	109.3	K131 V135 V136 K137	K131-T133 PolarHBondContact O-N 3.34Å; T133-V135 PolarHBondContact O-N 3.12Å; T133-V135 WeakPolarHBondContact OG1-CG2 3.19Å; T133-V135 PolarHBondContact OG1-N 3.39Å; T133-V136 PolarHBondContact N-O 2.84Å; T133-V136 VanDerWaalsContact O-O 3.07Å; T133-V136 PolarHBondContact OG1-N 3.47Å; T133-K137 WeakPolarHBondContact O-CE 3.38Å; T133-K137 VanDerWaalsContact O-CG 3.26Å; T133-K137 WeakPolarHBondContact O-CG 3.34Å
134	D	98.3	Very high	98.6	Very high	130 Å²	130	58.7 Å²	58.7	70%	0.695	32%	0.316	S	S	*	.	S	Bend	trans	-65.2	-24.3	175.4	-77.5	-45.6	0	0	0	114.6	K137	D134-K137 WeakPolarHBondContact O-CE 3.23Å; D134-K137 PolarHBondContact O-NZ 3Å; D134-K137 IonicContact OD1-NZ 3.39Å; D134-K137 PolarHBondContact OD1-NZ 3.27Å; D134-K137 VanDerWaalsContact OD1-NZ 3.13Å
135	V	98.6	Very high	98.4	Very high	24 Å²	24	63.3 Å²	63.3	15%	0.145	34%	0.338	C	S	.	.	S	Bend	trans	-111.7	-2.7	-174.3	-55.4	0	0	0	0	113.4	H34 P37 G76 T86 T133	H34-V135 HydrophobicContact CB-CB 3.79Å; H34-V135 HydrophobicContact CB-CG1 3.52Å; P37-V135 WeakPolarHBondContact CA-O 3.42Å; G76-V135 WeakPolarHBondContact CA-O 3.01Å; T86-V135 HydrophobicContact CG2-CG1 4.48Å; T86-V135 HydrophobicContact CG2-CG2 3.91Å; T133-V135 PolarHBondContact O-N 3.12Å; T133-V135 WeakPolarHBondContact OG1-CG2 3.19Å; T133-V135 PolarHBondContact OG1-N 3.39Å
136	V	98.9	Very high	98.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-130.4	102.1	172.7	179.8	0	0	0	0	108.3	P37 L54 L75 A130 I132 T133	P37-V136 WeakPolarHBondContact O-CA 3.46Å; L54-V136 HydrophobicContact CD2-CG1 3.79Å; L75-V136 HydrophobicContact CB-CG1 4.09Å; L75-V136 HydrophobicContact CB-CG2 4Å; L75-V136 HydrophobicContact CD2-CG1 3.93Å; A130-V136 HydrophobicContact CB-CG1 4.29Å; I132-V136 WeakPolarHBondContact CA-O 3.16Å; T133-V136 PolarHBondContact N-O 2.84Å; T133-V136 VanDerWaalsContact O-O 3.07Å; T133-V136 PolarHBondContact OG1-N 3.47Å
137	K	98.9	Very high	98.1	Very high	81 Å²	81	64.8 Å²	64.8	35%	0.352	36%	0.36	S	S	.	.			trans	-135.7	149.7	-175.1	-66.5	174	167.9	148.1	0	110.6	P37 W38 T133 D134	P37-K137 CarbonylContact C-O 3.5Å; P37-K137 HydrophobicContact CB-CB 3.88Å; P37-K137 HydrophobicContact CB-CD 4.32Å; P37-K137 HydrophobicContact CB-CG 4.13Å; P37-K137 HydrophobicContact CG-CB 3.8Å; P37-K137 HydrophobicContact CG-CD 4.04Å; P37-K137 HydrophobicContact CG-CG 4.23Å; P37-K137 PolarHBondContact O-N 3Å; W38-K137 WeakPolarHBondContact CA-O 3.29Å; W38-K137 WeakPolarHBondContact CB-O 3.06Å; W38-K137 PolarHBondContact N-O 3.49Å; T133-K137 WeakPolarHBondContact O-CE 3.38Å; T133-K137 VanDerWaalsContact O-CG 3.26Å; T133-K137 WeakPolarHBondContact O-CG 3.34Å; D134-K137 WeakPolarHBondContact O-CE 3.23Å; D134-K137 PolarHBondContact O-NZ 3Å; D134-K137 IonicContact OD1-NZ 3.39Å; D134-K137 PolarHBondContact OD1-NZ 3.27Å; D134-K137 VanDerWaalsContact OD1-NZ 3.13Å
138	V	98.9	Very high	98.1	Very high	58 Å²	58	67.5 Å²	67.5	35%	0.352	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-77.2	137.7	175.8	169.9	0	0	0	0	110.1	L54 V55 P57 I132	L54-V138 HydrophobicContact CD2-CG2 4.17Å; L54-V138 HydrophobicContact CG-CG2 4.14Å; L54-V138 CarbonylContact O-C 3.6Å; L54-V138 WeakPolarHBondContact O-CA 3.43Å; V55-V138 VanDerWaalsContact C-CG1 3.4Å; V55-V138 VanDerWaalsContact O-CG1 3.3Å; V55-V138 WeakPolarHBondContact O-CG1 3.3Å; P57-V138 HydrophobicContact CG-CG2 4.36Å; I132-V138 HydrophobicContact CD1-CG2 4.27Å
139	L	98.8	Very high	98.1	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-92.5	137.3	169	-174.9	59.9	0	0	0	111.1	W38 V53 L54 V218 L223	W38-L139 HydrophobicContact CB-CB 3.66Å; W38-L139 HydrophobicContact CD2-CB 3.8Å; W38-L139 HydrophobicContact CD2-CD1 3.94Å; W38-L139 HydrophobicContact CD2-CD2 3.99Å; W38-L139 HydrophobicContact CD2-CG 4.12Å; W38-L139 HydrophobicContact CE3-CB 4.04Å; W38-L139 HydrophobicContact CE3-CD1 3.85Å; W38-L139 HydrophobicContact CE3-CG 4.4Å; W38-L139 HydrophobicContact CG-CB 3.63Å; W38-L139 HydrophobicContact CG-CD2 3.97Å; W38-L139 HydrophobicContact CG-CG 4.26Å; W38-L139 HydrophobicContact CH2-CD1 4.18Å; W38-L139 HydrophobicContact CZ2-CD1 4.25Å; W38-L139 HydrophobicContact CZ3-CD1 3.98Å; V53-L139 HydrophobicContact CG1-CB 3.96Å; V53-L139 HydrophobicContact CG1-CD2 4.01Å; L54-L139 PolarHBondContact O-N 2.7Å; L139-V218 HydrophobicContact CD2-CG1 4.49Å; L139-V218 HydrophobicContact CD2-CG2 3.74Å; L139-L223 HydrophobicContact CD2-CB 3.69Å; L139-L223 HydrophobicContact CD2-CD1 4.09Å; L139-L223 HydrophobicContact CD2-CG 4.42Å; L139-L223 HydrophobicContact CG-CB 4.09Å
140	G	98.5	Very high	98.1	Very high	38 Å²	38	61.9 Å²	61.9	39%	0.392	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-69.1	141.3	178.1	0	0	0	0	0	112.9	L223	G140-L223 PolarHBondContact O-N 3.2Å
141	L	98.7	Very high	98.1	Very high	31 Å²	31	64.8 Å²	64.8	16%	0.162	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-79.6	143	170.2	-61	178.4	0	0	0	110.4	V55 L223 V246 I253	V55-L141 HydrophobicContact CB-CD2 4.4Å; V55-L141 HydrophobicContact CG1-CD2 3.93Å; L141-L223 HydrophobicContact CD2-CD2 4.11Å; L141-V246 HydrophobicContact CD2-CG1 3.92Å; L141-I253 HydrophobicContact CD1-CB 4.44Å; L141-I253 HydrophobicContact CD1-CD1 4.11Å; L141-I253 HydrophobicContact CD1-CG2 3.86Å; L141-I253 HydrophobicContact CD2-CD1 4.28Å
142	P	98.3	Very high	98.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.013	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.2	154.9	-178.9	29.4	-36.6	0	0	0	110.4	V222 L223 V246 V247 R250	P142-V222 HydrophobicContact CB-CB 4.44Å; P142-V222 HydrophobicContact CB-CG2 3.92Å; P142-L223 WeakPolarHBondContact CD-O 3.29Å; P142-L223 VanDerWaalsContact CG-O 3.25Å; P142-L223 WeakPolarHBondContact CG-O 3.39Å; P142-V246 HydrophobicContact CG-CB 4.47Å; P142-V246 HydrophobicContact CG-CG1 4.39Å; P142-V247 HydrophobicContact CB-CB 4.46Å; P142-V247 HydrophobicContact CG-CB 3.91Å; P142-V247 HydrophobicContact CG-CG2 4.43Å; P142-R250 WeakPolarHBondContact O-CD 3.28Å; P142-R250 PolarHBondContact O-NE 2.96Å
143	T	97.7	Very high	98.1	Very high	97 Å²	97	57.9 Å²	57.9	60%	0.595	33%	0.333	S	S	*	.	S	Bend	trans	-108.2	-18.7	169.8	52.7	0	0	0	0	112.4
144	Q	96.7	Very high	98.1	Very high	150 Å²	150	55.1 Å²	55.1	70%	0.701	32%	0.316	S	S	*	.	S	Bend	trans	-140.3	153.4	-179.1	-66.5	178.3	49.8	0	0	109.6	Q224	Q144-Q224 PolarHBondContact O-NE2 3.38Å
145	E	94.8	Very high	98.1	Very high	99 Å²	99	49 Å²	49	46%	0.463	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-67.3	145.8	173.4	-66.8	178.1	-172.7	0	0	110.9	K245 V247 H248	E145-K245 VanDerWaalsContact CG-CE 3.5Å; E145-K245 WeakPolarHBondContact OE1-CE 3.45Å; E145-K245 IonicContact OE1-NZ 3.87Å; E145-K245 PolarHBondContact OE1-NZ 3.44Å; E145-K245 WeakPolarHBondContact OE2-CE 3.43Å; E145-K245 IonicContact OE2-NZ 3.86Å; E145-K245 PolarHBondContact OE2-NZ 2.84Å; E145-V247 HydrophobicContact CG-CG1 3.57Å; E145-H248 IonicContact OE1-CE1 2.74Å; E145-H248 PolarHBondContact OE1-CE1 2.92Å; E145-H248 VanDerWaalsContact OE1-CE1 3.27Å; E145-H248 IonicContact OE1-NE2 2.76Å; E145-H248 PolarHBondContact OE1-NE2 3.43Å
146	P	95.1	Very high	98.1	Very high	13 Å²	13	47.9 Å²	47.9	8%	0.084	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74.7	148.1	174.1	27	-20.5	0	0	0	110.3	L178 C219 Q224	P146-L178 HydrophobicContact CB-CD2 3.92Å; P146-L178 HydrophobicContact CG-CD1 4.25Å; P146-L178 HydrophobicContact CG-CD2 3.59Å; P146-L178 WeakPolarHBondContact O-CD2 3.39Å; P146-C219 HydrophobicContact CB-CB 4.29Å; P146-Q224 HydrophobicContact CB-CG 4.27Å; P146-Q224 HydrophobicContact CG-CB 4.08Å; P146-Q224 HydrophobicContact CG-CG 3.77Å
147	A	98.1	Very high	98.1	Very high	68 Å²	68	48.5 Å²	48.5	56%	0.562	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-69.2	148.4	174.6	0	0	0	0	0	111.2	T150 L178	A147-T150 PolarHBondContact N-OG1 2.81Å; A147-T150 VanDerWaalsContact O-CB 3.23Å; A147-T150 WeakPolarHBondContact O-CB 3.17Å; A147-T150 PolarHBondContact O-N 3.44Å; A147-T150 VanDerWaalsContact O-N 3.13Å; A147-T150 PolarHBondContact O-OG1 2.57Å; A147-L178 WeakPolarHBondContact O-CD2 3.46Å
148	L	98.4	Very high	98	Very high	114 Å²	114	44.7 Å²	44.7	60%	0.597	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	142.1	171.6	-60.3	-173.8	0	0	0	110.7	T150 L178 L179	L148-T150 VanDerWaalsContact C-N 3.27Å; L148-T150 PolarHBondContact O-N 2.78Å; L148-L178 HydrophobicContact CD2-CD2 4.24Å; L148-L179 WeakPolarHBondContact CD2-O 3.45Å
149	G	98.2	Very high	97.9	Very high	51 Å²	51	42 Å²	42	53%	0.526	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-6.9	-174.2	0	0	0	0	0	114.9	T151 L178	G149-T151 PolarHBondContact O-N 2.92Å; G149-L178 WeakPolarHBondContact CA-O 3.45Å; G149-L178 PolarHBondContact N-O 2.97Å
150	T	98.5	Very high	97.7	Very high	24 Å²	24	42.4 Å²	42.4	15%	0.147	25%	0.248	C	C	.	.			trans	-56.8	133.1	173.4	-59.7	0	0	0	0	109.9	A147 L148 L178 C219	A147-T150 PolarHBondContact N-OG1 2.81Å; A147-T150 VanDerWaalsContact O-CB 3.23Å; A147-T150 WeakPolarHBondContact O-CB 3.17Å; A147-T150 PolarHBondContact O-N 3.44Å; A147-T150 VanDerWaalsContact O-N 3.13Å; A147-T150 PolarHBondContact O-OG1 2.57Å; L148-T150 VanDerWaalsContact C-N 3.27Å; L148-T150 PolarHBondContact O-N 2.78Å; T150-L178 PolarHBondContact O-N 3.4Å; T150-C219 HydrophobicContact CG2-CB 3.88Å
151	T	98.5	Very high	97.6	Very high	68 Å²	68	44 Å²	44	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.5	170.7	-57.1	0	0	0	0	109.9	G149 L176	G149-T151 PolarHBondContact O-N 2.92Å; T151-L176 WeakPolarHBondContact CA-O 3.37Å
152	C	98.7	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.2	179.9	-56	0	0	0	0	110.2	S175 L176 L217 V218 C219	C152-S175 CarbonylContact O-C 3.56Å; C152-S175 WeakPolarHBondContact O-CA 3.42Å; C152-L176 PolarHBondContact N-O 3Å; C152-L176 PolarHBondContact O-N 2.92Å; C152-L217 HydrophobicContact CB-CD1 3.56Å; C152-L217 HydrophobicContact CB-CD2 4.48Å; C152-L217 HydrophobicContact CB-CG 3.88Å; C152-V218 CarbonylContact C-O 3.46Å; C152-V218 WeakPolarHBondContact CA-O 3.43Å; C152-C219 HydrophobicContact CB-CB 4Å; C152-C219 WeakPolarHBondContact CB-SG 3.41Å; C152-C219 WeakPolarHBondContact SG-CB 3.37Å; C152-C219 CovalentContact SG-SG 2.03Å; C152-C219 PolarHBondContact SG-SG 3.49Å
153	Y	98.3	Very high	97.1	Very high	102 Å²	102	52.3 Å²	52.3	40%	0.4	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.4	175	-82.3	-112.8	0	0	0	110	W29 V174 S175 L217 V218	W29-Y153 HydrophobicContact CH2-CE1 4.3Å; W29-Y153 HydrophobicContact CZ2-CD1 4.37Å; W29-Y153 AromaticContact CZ2-CE1 3.59Å; W29-Y153 HydrophobicContact CZ2-CE1 3.59Å; Y153-V174 WeakPolarHBondContact CA-O 3.29Å; Y153-S175 WeakPolarHBondContact CE2-OG 3.48Å; Y153-S175 VanDerWaalsContact CZ-OG 3.28Å; Y153-L217 CarbonylContact O-C 3.6Å; Y153-L217 WeakPolarHBondContact O-CA 3.27Å; Y153-V218 PolarHBondContact N-O 2.82Å; Y153-V218 PolarHBondContact O-N 3.29Å
154	A	98.8	Very high	96.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147	165.9	0	0	0	0	0	109.9	C173 V174 L176 T208 P216 L217	A154-C173 CarbonylContact O-C 3.52Å; A154-C173 WeakPolarHBondContact O-CA 3.23Å; A154-V174 HydrophobicContact CB-CG1 3.99Å; A154-V174 PolarHBondContact N-O 3.34Å; A154-V174 PolarHBondContact O-N 3.47Å; A154-L176 HydrophobicContact CB-CD1 4.17Å; A154-T208 HydrophobicContact CB-CG2 3.62Å; A154-P216 WeakPolarHBondContact CA-O 3.25Å; A154-L217 HydrophobicContact CB-CD1 4.23Å
155	S	98.8	Very high	96.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.4	179.1	60.8	0	0	0	0	112.8	Q39 Q172 P216	Q39-S155 PolarHBondContact OE1-O 2.03Å; Q39-S155 VanDerWaalsContact OE1-O 3.05Å; Q39-S155 PolarHBondContact OE1-OG 2.6Å; S155-Q172 WeakPolarHBondContact CA-O 3.3Å; S155-Q172 VanDerWaalsContact CB-O 3.23Å; S155-Q172 WeakPolarHBondContact CB-O 3.32Å; S155-P216 WeakPolarHBondContact OG-CG 2.89Å
156	G	98.6	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-179.2	-176.2	0	0	0	0	0	114	I25 L171 Q172 D212	I25-G156 VanDerWaalsContact CD1-N 3.29Å; G156-L171 WeakPolarHBondContact O-CD1 3.48Å; G156-Q172 PolarHBondContact N-O 3.39Å; G156-Q172 VanDerWaalsContact N-O 3.11Å; G156-Q172 PolarHBondContact O-N 3.45Å; G156-D212 VanDerWaalsContact CA-OD1 3.3Å; G156-D212 WeakPolarHBondContact CA-OD1 3.49Å
157	W	98.4	Very high	96.8	Very high	14 Å²	14	55.4 Å²	55.4	5%	0.053	29%	0.292	C	S	.	.	S	Bend	trans	-119	25.8	176.7	-60.5	-89.5	0	0	0	111	Q39 A41 R77 H78 L80 R167 P168 L171 D212	Q39-W157 HydrophobicContact CG-CE3 4.49Å; Q39-W157 HydrophobicContact CG-CH2 3.66Å; Q39-W157 HydrophobicContact CG-CZ3 3.56Å; A41-W157 HydrophobicContact CB-CE3 4Å; A41-W157 HydrophobicContact CB-CH2 4.39Å; A41-W157 HydrophobicContact CB-CZ3 3.69Å; R77-W157 HydrophobicContact CB-CH2 4.34Å; R77-W157 HydrophobicContact CB-CZ2 4.16Å; H78-W157 PolarHBondContact O-NE1 3.19Å; L80-W157 HydrophobicContact CD1-CB 3.7Å; L80-W157 HydrophobicContact CD1-CD2 3.66Å; L80-W157 HydrophobicContact CD1-CE3 4.22Å; L80-W157 HydrophobicContact CD1-CG 3.43Å; L80-W157 VanDerWaalsContact CD1-CG 3.43Å; L80-W157 HydrophobicContact CD2-CD2 4.08Å; L80-W157 HydrophobicContact CD2-CE3 4.45Å; L80-W157 HydrophobicContact CD2-CH2 4.29Å; L80-W157 HydrophobicContact CD2-CZ2 3.89Å; L80-W157 HydrophobicContact CG-CD2 3.85Å; L80-W157 HydrophobicContact CG-CG 3.84Å; L80-W157 HydrophobicContact CG-CZ2 4.32Å; W157-R167 WeakPolarHBondContact O-CG 3.46Å; W157-P168 HydrophobicContact CB-CG 4.47Å; W157-L171 HydrophobicContact CD2-CD1 3.68Å; W157-L171 HydrophobicContact CE3-CD1 3.87Å; W157-L171 HydrophobicContact CG-CD1 4.35Å; W157-L171 HydrophobicContact CH2-CD1 3.85Å; W157-L171 HydrophobicContact CZ2-CB 3.88Å; W157-L171 HydrophobicContact CZ2-CD1 3.67Å; W157-L171 HydrophobicContact CZ2-CG 4.22Å; W157-L171 HydrophobicContact CZ3-CD1 3.95Å; W157-L171 VanDerWaalsContact NE1-CA 3.3Å; W157-L171 VanDerWaalsContact NE1-N 3.16Å; W157-D212 PolarHBondContact N-OD1 3.28Å
158	G	97.4	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-67.9	-177.1	169.7	0	0	0	0	0	112.2	I160 P168 G210 D212	G158-I160 PolarHBondContact O-N 2.99Å; G158-P168 WeakPolarHBondContact O-CD 3.19Å; G158-G210 CarbonylContact C-O 3.46Å; G158-G210 WeakPolarHBondContact CA-O 3.28Å; G158-D212 VanDerWaalsContact CA-OD1 3.26Å; G158-D212 WeakPolarHBondContact CA-OD1 3.08Å; G158-D212 PolarHBondContact N-OD1 2.76Å
159	S	97	Very high	96.7	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	27%	0.269	C	S	.	.			trans	-60.8	136.5	-173.9	-168	0	0	0	0	112.1	E161 E164 F165 L166 C209 G210	S159-E161 WeakPolarHBondContact CB-O 3.01Å; S159-E161 PolarHBondContact OG-N 3.38Å; S159-E161 PolarHBondContact OG-O 2.76Å; S159-E164 PolarHBondContact OG-O 3.42Å; S159-E164 VanDerWaalsContact OG-O 3.11Å; S159-F165 WeakPolarHBondContact OG-CA 3.42Å; S159-L166 WeakPolarHBondContact CA-O 3.43Å; S159-L166 PolarHBondContact OG-N 2.96Å; S159-C209 WeakPolarHBondContact O-CB 3.09Å; S159-G210 PolarHBondContact N-O 2.76Å
160	I	95.2	Very high	96.7	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	25%	0.249	C	C	.	.	S	Bend	trans	-91.9	-10.4	172.3	65.9	-168.1	0	0	0	113.7	S23 R24 G158 L166 P168 Q172	S23-I160 VanDerWaalsContact O-CD1 3.29Å; S23-I160 WeakPolarHBondContact O-CD1 3.47Å; S23-I160 WeakPolarHBondContact OG-CD1 3.25Å; S23-I160 VanDerWaalsContact OG-CG1 3.25Å; S23-I160 WeakPolarHBondContact OG-CG1 3.11Å; R24-I160 VanDerWaalsContact C-CB 3.42Å; R24-I160 VanDerWaalsContact CA-CG2 3.41Å; R24-I160 WeakPolarHBondContact O-CA 3.38Å; R24-I160 WeakPolarHBondContact O-CB 3.43Å; R24-I160 WeakPolarHBondContact O-CG2 3.25Å; G158-I160 PolarHBondContact O-N 2.99Å; I160-L166 HydrophobicContact CD1-CB 4.43Å; I160-L166 HydrophobicContact CD1-CD2 3.65Å; I160-L166 HydrophobicContact CD1-CG 3.72Å; I160-L166 HydrophobicContact CG1-CB 3.9Å; I160-L166 HydrophobicContact CG1-CD2 3.74Å; I160-L166 HydrophobicContact CG1-CG 3.74Å; I160-L166 WeakPolarHBondContact CG1-O 3.41Å; I160-L166 PolarHBondContact N-O 3.14Å; I160-P168 HydrophobicContact CD1-CB 4.45Å; I160-P168 HydrophobicContact CG2-CB 3.57Å; I160-P168 HydrophobicContact CG2-CG 3.58Å; I160-Q172 HydrophobicContact CG2-CG 4.26Å
161	E	94.6	Very high	96.7	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.341	24%	0.243	S	C	.	.	S	Bend	trans	-110.5	140.1	175.2	-64.8	-60.1	147.3	0	0	109	S23 S159 E163 E164 L166	S23-E161 WeakPolarHBondContact CB-OE1 3.46Å; S23-E161 PolarHBondContact OG-OE1 2.83Å; S159-E161 WeakPolarHBondContact CB-O 3.01Å; S159-E161 PolarHBondContact OG-N 3.38Å; S159-E161 PolarHBondContact OG-O 2.76Å; E161-E163 PolarHBondContact O-N 3.11Å; E161-E164 VanDerWaalsContact CB-O 3.29Å; E161-E164 WeakPolarHBondContact CB-O 2.97Å; E161-L166 HydrophobicContact CB-CB 4.17Å; E161-L166 HydrophobicContact CG-CB 3.75Å; E161-L166 HydrophobicContact CG-CD2 3.68Å; E161-L166 HydrophobicContact CG-CG 4.34Å
162	P	93.6	Very high	96.7	Very high	45 Å²	45	49.5 Å²	49.5	29%	0.292	23%	0.225	S	C	.	.	S	Bend	trans	-73.6	-26.2	-171.3	27.8	-35	0	0	0	114.4	V26 P233 C234	V26-P162 HydrophobicContact CG1-CB 4.3Å; V26-P162 HydrophobicContact CG2-CB 4.48Å; P162-P233 HydrophobicContact CB-CB 4.29Å; P162-P233 WeakPolarHBondContact O-CA 3.06Å; P162-P233 WeakPolarHBondContact O-CB 3.21Å; P162-C234 HydrophobicContact CB-CB 4.37Å; P162-C234 VanDerWaalsContact CB-O 3.24Å; P162-C234 WeakPolarHBondContact CB-O 3.49Å; P162-C234 PolarHBondContact O-N 2.93Å
163	E	92.8	Very high	96.7	Very high	162 Å²	162	49.7 Å²	49.7	76%	0.757	23%	0.226	S	C	*	.	S	Bend	trans	-108.7	-59.3	-175.4	-65	-174.8	-176.1	0	0	111.8	E161 P233	E161-E163 PolarHBondContact O-N 3.11Å; E163-P233 HydrophobicContact CG-CB 3.79Å; E163-P233 HydrophobicContact CG-CG 3.7Å
164	E	92.9	Very high	96.7	Very high	159 Å²	159	44.8 Å²	44.8	74%	0.743	21%	0.207	S	C	*	.	S	Bend	trans	-87.6	136.7	179.2	-65.4	-174.9	-177.6	0	0	110.9	S159 E161 L166	S159-E164 PolarHBondContact OG-O 3.42Å; S159-E164 VanDerWaalsContact OG-O 3.11Å; E161-E164 VanDerWaalsContact CB-O 3.29Å; E161-E164 WeakPolarHBondContact CB-O 2.97Å; E164-L166 PolarHBondContact O-N 2.81Å
165	F	94.1	Very high	96.7	Very high	113 Å²	113	46 Å²	46	50%	0.496	22%	0.215	S	C	.	.			trans	-69.4	110.5	177.9	-175.5	-87.3	0	0	0	111	S159 R167 G210	S159-F165 WeakPolarHBondContact OG-CA 3.42Å; F165-R167 HydrophobicContact CE1-CB 3.88Å; F165-R167 HydrophobicContact CE1-CG 4.39Å; F165-R167 HydrophobicContact CZ-CB 4.32Å; F165-R167 HydrophobicContact CZ-CG 4.39Å; F165-G210 VanDerWaalsContact CE2-O 3.3Å; F165-G210 WeakPolarHBondContact CE2-O 3.01Å
166	L	95.7	Very high	96.7	Very high	81 Å²	81	45.9 Å²	45.9	42%	0.424	21%	0.214	S	C	.	.			trans	-122.5	112.8	173.7	-177.2	60.9	0	0	0	110.3	S159 I160 E161 E164	S159-L166 WeakPolarHBondContact CA-O 3.43Å; S159-L166 PolarHBondContact OG-N 2.96Å; I160-L166 HydrophobicContact CD1-CB 4.43Å; I160-L166 HydrophobicContact CD1-CD2 3.65Å; I160-L166 HydrophobicContact CD1-CG 3.72Å; I160-L166 HydrophobicContact CG1-CB 3.9Å; I160-L166 HydrophobicContact CG1-CD2 3.74Å; I160-L166 HydrophobicContact CG1-CG 3.74Å; I160-L166 WeakPolarHBondContact CG1-O 3.41Å; I160-L166 PolarHBondContact N-O 3.14Å; E161-L166 HydrophobicContact CB-CB 4.17Å; E161-L166 HydrophobicContact CG-CB 3.75Å; E161-L166 HydrophobicContact CG-CD2 3.68Å; E161-L166 HydrophobicContact CG-CG 4.34Å; E164-L166 PolarHBondContact O-N 2.81Å
167	R	96.1	Very high	96.7	Very high	70 Å²	70	49.8 Å²	49.8	26%	0.264	23%	0.232	S	C	.	.			trans	-82	127.7	-177.6	-156.3	-179.5	-41	-131.4	-4.7	111.7	A48 W157 F165	A48-R167 PolarHBondContact O-NH1 3.27Å; W157-R167 WeakPolarHBondContact O-CG 3.46Å; F165-R167 HydrophobicContact CE1-CB 3.88Å; F165-R167 HydrophobicContact CE1-CG 4.39Å; F165-R167 HydrophobicContact CZ-CB 4.32Å; F165-R167 HydrophobicContact CZ-CG 4.39Å
168	P	97	Very high	96.7	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.039	23%	0.231	C	C	.	.			trans	-73	150.2	171	30.3	-29.4	0	0	0	109.9	W157 G158 I160 Q172	W157-P168 HydrophobicContact CB-CG 4.47Å; G158-P168 WeakPolarHBondContact O-CD 3.19Å; I160-P168 HydrophobicContact CD1-CB 4.45Å; I160-P168 HydrophobicContact CG2-CB 3.57Å; I160-P168 HydrophobicContact CG2-CG 3.58Å; P168-Q172 HydrophobicContact CB-CG 3.67Å; P168-Q172 HydrophobicContact CG-CG 3.54Å
169	R	97.7	Very high	96.7	Very high	170 Å²	170	50.5 Å²	50.5	64%	0.642	24%	0.237	S	C	*	.	S	Bend	trans	-73.2	-52.3	173.1	-60.1	-179.8	-142.4	-110.2	-2.4	110.8	N79 L80 F81	N79-R169 CarbonylContact C-O 3.53Å; N79-R169 VanDerWaalsContact CA-O 3.29Å; N79-R169 WeakPolarHBondContact CA-O 3.4Å; N79-R169 PolarHBondContact OD1-O 2.89Å; L80-R169 PolarHBondContact N-O 3.1Å; F81-R169 HydrophobicContact CD2-CB 3.96Å; F81-R169 HydrophobicContact CD2-CG 3.83Å; F81-R169 HydrophobicContact CE2-CB 4.47Å; F81-R169 HydrophobicContact CE2-CG 4.25Å
170	S	98.4	Very high	96.8	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.119	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-85.8	157	179.7	-63.2	0	0	0	0	112.5	E30 H78 Q172	E30-S170 VanDerWaalsContact OE1-CB 3.27Å; E30-S170 WeakPolarHBondContact OE1-CB 3.34Å; E30-S170 PolarHBondContact OE1-OG 3.16Å; E30-S170 PolarHBondContact OE2-OG 3.3Å; H78-S170 WeakPolarHBondContact NE2-CB 3.26Å; H78-S170 CarbonylContact O-C 3.54Å; H78-S170 VanDerWaalsContact O-CA 3.28Å; H78-S170 WeakPolarHBondContact O-CA 3.4Å; S170-Q172 PolarHBondContact O-NE2 3.28Å
171	L	98.6	Very high	97	Very high	4 Å²	4	53 Å²	53	2%	0.021	25%	0.252	C	S	.	.			trans	-63.9	136.3	174.8	-176.6	67.4	0	0	0	110.7	E30 C31 Q36 Q39 H78 G156 W157	E30-L171 WeakPolarHBondContact CA-O 3.23Å; C31-L171 HydrophobicContact CB-CD2 4.31Å; C31-L171 HydrophobicContact CB-CG 4.37Å; C31-L171 PolarHBondContact N-O 3.24Å; Q36-L171 HydrophobicContact CB-CD2 3.93Å; Q36-L171 HydrophobicContact CG-CD2 4.08Å; Q39-L171 HydrophobicContact CB-CD2 4.22Å; Q39-L171 HydrophobicContact CG-CD1 3.72Å; Q39-L171 HydrophobicContact CG-CD2 3.99Å; H78-L171 PolarHBondContact O-N 3.37Å; G156-L171 WeakPolarHBondContact O-CD1 3.48Å; W157-L171 HydrophobicContact CD2-CD1 3.68Å; W157-L171 HydrophobicContact CE3-CD1 3.87Å; W157-L171 HydrophobicContact CG-CD1 4.35Å; W157-L171 HydrophobicContact CH2-CD1 3.85Å; W157-L171 HydrophobicContact CZ2-CB 3.88Å; W157-L171 HydrophobicContact CZ2-CD1 3.67Å; W157-L171 HydrophobicContact CZ2-CG 4.22Å; W157-L171 HydrophobicContact CZ3-CD1 3.95Å; W157-L171 VanDerWaalsContact NE1-CA 3.3Å; W157-L171 VanDerWaalsContact NE1-N 3.16Å
172	Q	98.7	Very high	97.2	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.023	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	151.2	-179.6	-54.5	-57.4	-49.7	0	0	111	R24 I25 W29 C31 S155 G156 I160 P168 S170	R24-Q172 HydrophobicContact CB-CG 4.46Å; I25-Q172 HydrophobicContact CB-CB 3.7Å; I25-Q172 HydrophobicContact CD1-CB 3.84Å; I25-Q172 HydrophobicContact CG1-CB 3.54Å; I25-Q172 HydrophobicContact CG1-CG 4.38Å; W29-Q172 VanDerWaalsContact C-OE1 3.31Å; W29-Q172 CarbonylContact O-C 3.39Å; W29-Q172 WeakPolarHBondContact O-CA 3.29Å; W29-Q172 PolarHBondContact O-OE1 3.42Å; C31-Q172 PolarHBondContact SG-O 3.26Å; S155-Q172 WeakPolarHBondContact CA-O 3.3Å; S155-Q172 VanDerWaalsContact CB-O 3.23Å; S155-Q172 WeakPolarHBondContact CB-O 3.32Å; G156-Q172 PolarHBondContact N-O 3.39Å; G156-Q172 VanDerWaalsContact N-O 3.11Å; G156-Q172 PolarHBondContact O-N 3.45Å; I160-Q172 HydrophobicContact CG2-CG 4.26Å; P168-Q172 HydrophobicContact CB-CG 3.67Å; P168-Q172 HydrophobicContact CG-CG 3.54Å; S170-Q172 PolarHBondContact O-NE2 3.28Å
173	C	98.7	Very high	97.4	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.4	-179.6	-82.6	0	0	0	0	109.2	G28 W29 C31 A154	G28-C173 CarbonylContact C-O 3.34Å; G28-C173 WeakPolarHBondContact CA-O 3.38Å; W29-C173 PolarHBondContact N-O 3.14Å; W29-C173 PolarHBondContact O-N 3.25Å; C31-C173 HydrophobicContact CB-CB 4.13Å; C31-C173 WeakPolarHBondContact CB-SG 3.44Å; C31-C173 VanDerWaalsContact SG-CA 3.57Å; C31-C173 WeakPolarHBondContact SG-CB 3.45Å; C31-C173 PolarHBondContact SG-N 2.86Å; C31-C173 CovalentContact SG-SG 2.04Å; C31-C173 PolarHBondContact SG-SG 2.82Å; A154-C173 CarbonylContact O-C 3.52Å; A154-C173 WeakPolarHBondContact O-CA 3.23Å
174	V	98.2	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.7	172.9	67.1	0	0	0	0	110.3	I25 Y153 A154 L176 K206	I25-V174 HydrophobicContact CG2-CB 3.75Å; I25-V174 HydrophobicContact CG2-CG1 3.44Å; I25-V174 VanDerWaalsContact CG2-CG1 3.44Å; Y153-V174 WeakPolarHBondContact CA-O 3.29Å; A154-V174 HydrophobicContact CB-CG1 3.99Å; A154-V174 PolarHBondContact N-O 3.34Å; A154-V174 PolarHBondContact O-N 3.47Å; V174-L176 HydrophobicContact CG1-CD1 4.24Å; V174-L176 HydrophobicContact CG1-CD2 4.06Å; V174-L176 HydrophobicContact CG1-CG 4.01Å; V174-L176 HydrophobicContact CG2-CD2 3.9Å; V174-K206 HydrophobicContact CG2-CB 3.91Å; V174-K206 HydrophobicContact CG2-CD 4.11Å; V174-K206 HydrophobicContact CG2-CG 4.24Å
175	S	98.2	Very high	97.9	Very high	24 Å²	24	41.4 Å²	41.4	17%	0.168	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127	168.5	-69.3	0	0	0	0	110.8	W29 C152 Y153	W29-S175 WeakPolarHBondContact CH2-OG 3.2Å; C152-S175 CarbonylContact O-C 3.56Å; C152-S175 WeakPolarHBondContact O-CA 3.42Å; Y153-S175 WeakPolarHBondContact CE2-OG 3.48Å; Y153-S175 VanDerWaalsContact CZ-OG 3.28Å
176	L	98.4	Very high	98.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	158.6	179	-54.5	177.4	0	0	0	109.6	T151 C152 A154 V174 K206 L217 Y243	T151-L176 WeakPolarHBondContact CA-O 3.37Å; C152-L176 PolarHBondContact N-O 3Å; C152-L176 PolarHBondContact O-N 2.92Å; A154-L176 HydrophobicContact CB-CD1 4.17Å; V174-L176 HydrophobicContact CG1-CD1 4.24Å; V174-L176 HydrophobicContact CG1-CD2 4.06Å; V174-L176 HydrophobicContact CG1-CG 4.01Å; V174-L176 HydrophobicContact CG2-CD2 3.9Å; L176-K206 HydrophobicContact CD2-CB 4.03Å; L176-L217 HydrophobicContact CD1-CD1 4.47Å; L176-Y243 WeakPolarHBondContact CD1-OH 3.25Å
177	H	98.6	Very high	98.2	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.38	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.2	173	-63.3	153.4	0	0	0	110.5	L179 A199 G200	H177-L179 HydrophobicContact CB-CD2 4.25Å; H177-A199 VanDerWaalsContact O-CA 3.24Å; H177-A199 WeakPolarHBondContact O-CA 3.26Å; H177-G200 PolarHBondContact N-O 3.42Å; H177-G200 PolarHBondContact O-N 2.89Å
178	L	98.8	Very high	98.2	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.7	167.7	-161.6	82.2	0	0	0	109.9	P146 A147 L148 G149 T150 L197	P146-L178 HydrophobicContact CB-CD2 3.92Å; P146-L178 HydrophobicContact CG-CD1 4.25Å; P146-L178 HydrophobicContact CG-CD2 3.59Å; P146-L178 WeakPolarHBondContact O-CD2 3.39Å; A147-L178 WeakPolarHBondContact O-CD2 3.46Å; L148-L178 HydrophobicContact CD2-CD2 4.24Å; G149-L178 WeakPolarHBondContact CA-O 3.45Å; G149-L178 PolarHBondContact N-O 2.97Å; T150-L178 PolarHBondContact O-N 3.4Å; L178-L197 HydrophobicContact CD1-CB 4.26Å; L178-L197 HydrophobicContact CD1-CD1 4.25Å; L178-L197 HydrophobicContact CD1-CD2 4.2Å; L178-L197 HydrophobicContact CD1-CG 4.47Å
179	L	98.6	Very high	98.2	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.8	-176.8	-55.7	179.8	0	0	0	110.6	L148 H177 M183 C198 W202 P240	L148-L179 WeakPolarHBondContact CD2-O 3.45Å; H177-L179 HydrophobicContact CB-CD2 4.25Å; L179-M183 HydrophobicContact CB-SD 3.93Å; L179-M183 HydrophobicContact CD1-CE 4.14Å; L179-M183 HydrophobicContact CD1-SD 4.49Å; L179-M183 HydrophobicContact CD2-CE 4.37Å; L179-M183 HydrophobicContact CD2-SD 4.32Å; L179-M183 HydrophobicContact CG-SD 4.47Å; L179-C198 HydrophobicContact CB-CB 4.34Å; L179-C198 PolarHBondContact N-O 3.07Å; L179-W202 HydrophobicContact CD1-CE3 4.41Å; L179-P240 HydrophobicContact CD1-CB 3.65Å; L179-P240 HydrophobicContact CD1-CG 3.99Å
180	S	98.6	Very high	98.1	Very high	32 Å²	32	36.2 Å²	36.2	22%	0.224	19%	0.194	C	C	.	.			trans	-63.9	140.8	170.9	179.6	0	0	0	0	109.8	D182 M183	S180-D182 PolarHBondContact O-N 2.88Å; S180-D182 VanDerWaalsContact O-N 3.14Å; S180-D182 PolarHBondContact OG-N 3.2Å; S180-D182 PolarHBondContact OG-OD2 2.96Å; S180-D182 VanDerWaalsContact OG-OD2 3.08Å; S180-M183 WeakPolarHBondContact O-CB 3.49Å; S180-M183 PolarHBondContact O-N 3.01Å
181	N	98.6	Very high	98.1	Very high	37 Å²	37	40.3 Å²	40.3	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-27.6	171.9	-77.7	22.2	0	0	0	112	M183 C184 A185 V192 T193 M196 C198	N181-M183 PolarHBondContact O-N 3.43Å; N181-C184 PolarHBondContact O-N 3.03Å; N181-C184 VanDerWaalsContact O-N 3.16Å; N181-A185 WeakPolarHBondContact O-CB 3.22Å; N181-A185 PolarHBondContact O-N 3.13Å; N181-V192 HydrophobicContact CB-CG1 4.1Å; N181-T193 PolarHBondContact ND2-O 3.32Å; N181-M196 PolarHBondContact ND2-O 2.74Å; N181-M196 PolarHBondContact OD1-O 2.81Å; N181-C198 PolarHBondContact OD1-N 3.42Å
182	D	98.4	Very high	98.1	Very high	107 Å²	107	41.6 Å²	41.6	57%	0.572	22%	0.217	S	C	*	.	H	α-helix	trans	-62.1	-23.4	175	-54.7	-37.5	0	0	0	113.3	S180 R186	S180-D182 PolarHBondContact O-N 2.88Å; S180-D182 VanDerWaalsContact O-N 3.14Å; S180-D182 PolarHBondContact OG-N 3.2Å; S180-D182 PolarHBondContact OG-OD2 2.96Å; S180-D182 VanDerWaalsContact OG-OD2 3.08Å; D182-R186 WeakPolarHBondContact O-CB 3.21Å; D182-R186 VanDerWaalsContact O-CG 3.28Å; D182-R186 WeakPolarHBondContact O-CG 3.06Å; D182-R186 PolarHBondContact O-N 3Å; D182-R186 PolarHBondContact O-NE 3.11Å; D182-R186 VanDerWaalsContact O-NE 3.09Å
183	M	98.5	Very high	98.1	Very high	39 Å²	39	42.4 Å²	42.4	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-73.9	-46.2	175.5	-63.2	179.3	65.5	0	0	110.2	L179 S180 N181 R186 A187 W202	L179-M183 HydrophobicContact CB-SD 3.93Å; L179-M183 HydrophobicContact CD1-CE 4.14Å; L179-M183 HydrophobicContact CD1-SD 4.49Å; L179-M183 HydrophobicContact CD2-CE 4.37Å; L179-M183 HydrophobicContact CD2-SD 4.32Å; L179-M183 HydrophobicContact CG-SD 4.47Å; S180-M183 WeakPolarHBondContact O-CB 3.49Å; S180-M183 PolarHBondContact O-N 3.01Å; N181-M183 PolarHBondContact O-N 3.43Å; M183-R186 PolarHBondContact O-N 3.1Å; M183-A187 WeakPolarHBondContact O-CB 3.49Å; M183-A187 PolarHBondContact O-N 2.98Å; M183-W202 HydrophobicContact CB-CH2 4.46Å; M183-W202 HydrophobicContact CB-CZ3 3.91Å; M183-W202 HydrophobicContact CE-CB 4.5Å; M183-W202 HydrophobicContact CE-CD2 3.4Å; M183-W202 VanDerWaalsContact CE-CD2 3.4Å; M183-W202 HydrophobicContact CE-CE3 3.1Å; M183-W202 HydrophobicContact CE-CG 4.05Å; M183-W202 HydrophobicContact CE-CH2 4Å; M183-W202 HydrophobicContact CE-CZ2 4.28Å; M183-W202 HydrophobicContact CE-CZ3 3.42Å; M183-W202 VanDerWaalsContact CE-CZ3 3.42Å
184	C	98.4	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-45	171.8	-77.8	0	0	0	0	111.4	N181 R186 A187 Y188 V192 C198 P240 V242	N181-C184 PolarHBondContact O-N 3.03Å; N181-C184 VanDerWaalsContact O-N 3.16Å; C184-R186 PolarHBondContact O-N 3.28Å; C184-A187 PolarHBondContact O-N 3.05Å; C184-Y188 HydrophobicContact CB-CD2 4.22Å; C184-Y188 HydrophobicContact CB-CE2 4.44Å; C184-Y188 VanDerWaalsContact O-CD2 3.23Å; C184-Y188 WeakPolarHBondContact O-CD2 3.36Å; C184-Y188 PolarHBondContact O-N 3.23Å; C184-V192 HydrophobicContact CB-CG1 3.96Å; C184-V192 HydrophobicContact CB-CG2 3.9Å; C184-C198 HydrophobicContact CB-CB 3.87Å; C184-C198 WeakPolarHBondContact CB-SG 3.46Å; C184-C198 PolarHBondContact N-SG 3.11Å; C184-C198 VanDerWaalsContact N-SG 3.43Å; C184-C198 VanDerWaalsContact SG-CA 3.55Å; C184-C198 WeakPolarHBondContact SG-CB 3.36Å; C184-C198 CovalentContact SG-SG 2.04Å; C184-C198 PolarHBondContact SG-SG 3.16Å; C184-P240 VanDerWaalsContact SG-CG 3.55Å; C184-V242 HydrophobicContact CB-CG2 4.43Å
185	A	98.2	Very high	98.1	Very high	50 Å²	50	50.5 Å²	50.5	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-28.9	-178.7	0	0	0	0	0	113.3	N181 V192	N181-A185 WeakPolarHBondContact O-CB 3.22Å; N181-A185 PolarHBondContact O-N 3.13Å; A185-V192 HydrophobicContact CB-CB 4.06Å; A185-V192 HydrophobicContact CB-CG2 4.45Å
186	R	97.9	Very high	98.1	Very high	191 Å²	191	49.5 Å²	49.5	72%	0.721	25%	0.252	S	S	*	.	H	α-helix	trans	-79.9	-27.1	172	-75.7	-177	-68.2	168.5	-0	113.2	D182 M183 C184	D182-R186 WeakPolarHBondContact O-CB 3.21Å; D182-R186 VanDerWaalsContact O-CG 3.28Å; D182-R186 WeakPolarHBondContact O-CG 3.06Å; D182-R186 PolarHBondContact O-N 3Å; D182-R186 PolarHBondContact O-NE 3.11Å; D182-R186 VanDerWaalsContact O-NE 3.09Å; M183-R186 PolarHBondContact O-N 3.1Å; C184-R186 PolarHBondContact O-N 3.28Å
187	A	97.6	Very high	98.1	Very high	19 Å²	19	49.9 Å²	49.9	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-83.6	-23.8	-175.9	0	0	0	0	0	113.1	M183 C184 E238 K239	M183-A187 WeakPolarHBondContact O-CB 3.49Å; M183-A187 PolarHBondContact O-N 2.98Å; C184-A187 PolarHBondContact O-N 3.05Å; A187-E238 WeakPolarHBondContact CB-O 3.38Å; A187-K239 HydrophobicContact CB-CD 4.29Å; A187-K239 PolarHBondContact O-NZ 2.91Å
188	Y	97.1	Very high	98.1	Very high	25 Å²	25	46 Å²	46	10%	0.098	24%	0.236	C	C	.	.			trans	-122.8	148.3	-171	-65.5	-64.7	0	0	0	113	C184 E190 W229 P231 K239 P240	C184-Y188 HydrophobicContact CB-CD2 4.22Å; C184-Y188 HydrophobicContact CB-CE2 4.44Å; C184-Y188 VanDerWaalsContact O-CD2 3.23Å; C184-Y188 WeakPolarHBondContact O-CD2 3.36Å; C184-Y188 PolarHBondContact O-N 3.23Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.48Å; Y188-W229 HydrophobicContact CD1-CH2 4.06Å; Y188-W229 AromaticContact CD1-CZ3 3.6Å; Y188-W229 HydrophobicContact CD1-CZ3 3.6Å; Y188-W229 AromaticContact CD2-CH2 3.61Å; Y188-W229 HydrophobicContact CD2-CH2 3.61Å; Y188-W229 AromaticContact CD2-CZ3 3.76Å; Y188-W229 HydrophobicContact CD2-CZ3 3.76Å; Y188-W229 AromaticContact CE1-CZ3 3.81Å; Y188-W229 HydrophobicContact CE1-CZ3 3.81Å; Y188-W229 HydrophobicContact CE2-CH2 4.17Å; Y188-W229 AromaticContact CE2-CZ3 3.96Å; Y188-W229 HydrophobicContact CE2-CZ3 3.96Å; Y188-W229 AromaticContact CG-CH2 3.56Å; Y188-W229 HydrophobicContact CG-CH2 3.56Å; Y188-W229 AromaticContact CG-CZ3 3.59Å; Y188-W229 HydrophobicContact CG-CZ3 3.59Å; Y188-W229 AromaticContact CZ-CZ3 3.98Å; Y188-P231 HydrophobicContact CE1-CB 4.49Å; Y188-P231 VanDerWaalsContact OH-CD 3.28Å; Y188-P231 WeakPolarHBondContact OH-CD 3.29Å; Y188-K239 HydrophobicContact CE1-CD 4.11Å; Y188-P240 WeakPolarHBondContact CE2-O 3.37Å; Y188-P240 VanDerWaalsContact CZ-O 3.25Å; Y188-P240 PolarHBondContact OH-O 2.99Å
189	S	96.5	Very high	98.1	Very high	66 Å²	66	45.8 Å²	45.8	46%	0.462	24%	0.235	S	C	.	.	S	Bend	trans	-84.8	-18.7	168.9	45.6	0	0	0	0	112.3	D114	D114-S189 PolarHBondContact N-O 2.75Å
190	E	96.4	Very high	98.1	Very high	31 Å²	31	44.7 Å²	44.7	15%	0.145	23%	0.229	C	C	.	.	S	Bend	trans	-68	150.6	172.2	-62.2	66.3	-148.9	0	0	109.9	L111 Y188 V192 W229	L111-E190 HydrophobicContact CB-CG 3.73Å; L111-E190 HydrophobicContact CD1-CG 4.3Å; Y188-E190 WeakPolarHBondContact CB-OE2 3.48Å; E190-V192 PolarHBondContact O-N 3.46Å; E190-W229 HydrophobicContact CB-CH2 3.81Å; E190-W229 HydrophobicContact CB-CZ2 4.09Å; E190-W229 HydrophobicContact CB-CZ3 4.42Å; E190-W229 HydrophobicContact CG-CH2 4.37Å
191	K	97	Very high	98.1	Very high	103 Å²	103	45.5 Å²	45.5	45%	0.448	23%	0.231	S	C	.	.			trans	-72.2	125.4	-180	-71.5	-178.5	179.3	175.6	0	111	D114 E115 D116	D114-K191 WeakPolarHBondContact O-CE 3.36Å; E115-K191 PolarHBondContact O-N 3.46Å; D116-K191 HydrophobicContact CB-CB 4.41Å; D116-K191 HydrophobicContact CB-CD 4.07Å
192	V	98.3	Very high	98	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	24%	0.236	C	C	.	.			trans	-103.6	114.7	170.1	-179.6	0	0	0	0	108.5	N181 C184 A185 E190 W229	N181-V192 HydrophobicContact CB-CG1 4.1Å; C184-V192 HydrophobicContact CB-CG1 3.96Å; C184-V192 HydrophobicContact CB-CG2 3.9Å; A185-V192 HydrophobicContact CB-CB 4.06Å; A185-V192 HydrophobicContact CB-CG2 4.45Å; E190-V192 PolarHBondContact O-N 3.46Å; V192-W229 HydrophobicContact CG2-CH2 4.44Å; V192-W229 HydrophobicContact CG2-CZ2 4.4Å
193	T	98.4	Very high	98	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.129	24%	0.24	C	C	.	.			trans	-108.7	173	-173.7	69.3	0	0	0	0	112.2	S118 N181 F195 M196	S118-T193 WeakPolarHBondContact OG-CG2 3.35Å; S118-T193 PolarHBondContact OG-OG1 3.04Å; N181-T193 PolarHBondContact ND2-O 3.32Å; T193-F195 PolarHBondContact O-N 2.97Å; T193-F195 PolarHBondContact OG1-N 2.61Å; T193-M196 WeakPolarHBondContact O-CB 3.25Å; T193-M196 PolarHBondContact O-N 3.39Å
194	E	98.3	Very high	97.9	Very high	114 Å²	114	46.1 Å²	46.1	53%	0.533	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.8	173.4	68.9	-81.2	-169.1	0	0	113.4	M196 K245 H248	E194-M196 PolarHBondContact O-N 3.12Å; E194-K245 WeakPolarHBondContact O-CD 3.15Å; E194-H248 PolarHBondContact O-CD2 3.19Å; E194-H248 PolarHBondContact O-NE2 3.11Å
195	F	98.7	Very high	97.8	Very high	59 Å²	59	48.2 Å²	48.2	26%	0.259	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.3	177.5	-53	-65.2	0	0	0	113.8	H119 T193 K245 H248 Y249	H119-F195 AromaticContact CE1-CD2 3.59Å; H119-F195 AromaticContact CE1-CE2 3.71Å; H119-F195 AromaticContact CE1-CG 3.81Å; T193-F195 PolarHBondContact O-N 2.97Å; T193-F195 PolarHBondContact OG1-N 2.61Å; F195-K245 WeakPolarHBondContact O-CB 2.95Å; F195-K245 PolarHBondContact O-N 2.92Å; F195-H248 HydrophobicContact CD1-CB 4.29Å; F195-Y249 WeakPolarHBondContact CB-OH 3.37Å
196	M	98.8	Very high	97.8	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.6	-178.4	-64.6	174.7	-177	0	0	110.6	N181 T193 E194 V242 Y243	N181-M196 PolarHBondContact ND2-O 2.74Å; N181-M196 PolarHBondContact OD1-O 2.81Å; T193-M196 WeakPolarHBondContact O-CB 3.25Å; T193-M196 PolarHBondContact O-N 3.39Å; E194-M196 PolarHBondContact O-N 3.12Å; M196-V242 HydrophobicContact CB-CG1 3.78Å; M196-V242 HydrophobicContact CG-CG1 3.74Å; M196-V242 HydrophobicContact SD-CG1 3.68Å; M196-Y243 CarbonylContact C-O 3.4Å; M196-Y243 WeakPolarHBondContact CA-O 3.38Å
197	L	98.8	Very high	97.8	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.7	163.6	-68.4	175.1	0	0	0	108.8	L178 Q224 V242 Y243 K245	L178-L197 HydrophobicContact CD1-CB 4.26Å; L178-L197 HydrophobicContact CD1-CD1 4.25Å; L178-L197 HydrophobicContact CD1-CD2 4.2Å; L178-L197 HydrophobicContact CD1-CG 4.47Å; L197-Q224 HydrophobicContact CD1-CB 4.09Å; L197-Q224 VanDerWaalsContact CD1-O 3.3Å; L197-Q224 WeakPolarHBondContact CD1-O 3.43Å; L197-V242 WeakPolarHBondContact O-CA 3.41Å; L197-Y243 PolarHBondContact N-O 3.11Å; L197-Y243 PolarHBondContact O-N 3.28Å; L197-K245 HydrophobicContact CD1-CG 4.24Å; L197-K245 HydrophobicContact CD2-CB 4.36Å; L197-K245 HydrophobicContact CD2-CD 3.57Å; L197-K245 HydrophobicContact CD2-CG 3.72Å; L197-K245 HydrophobicContact CG-CB 3.84Å; L197-K245 HydrophobicContact CG-CD 4Å; L197-K245 HydrophobicContact CG-CG 3.68Å
198	C	98.8	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.6	170.9	-169	0	0	0	0	109.5	L179 N181 C184 P240	L179-C198 HydrophobicContact CB-CB 4.34Å; L179-C198 PolarHBondContact N-O 3.07Å; N181-C198 PolarHBondContact OD1-N 3.42Å; C184-C198 HydrophobicContact CB-CB 3.87Å; C184-C198 WeakPolarHBondContact CB-SG 3.46Å; C184-C198 PolarHBondContact N-SG 3.11Å; C184-C198 VanDerWaalsContact N-SG 3.43Å; C184-C198 VanDerWaalsContact SG-CA 3.55Å; C184-C198 WeakPolarHBondContact SG-CB 3.36Å; C184-C198 CovalentContact SG-SG 2.04Å; C184-C198 PolarHBondContact SG-SG 3.16Å; C198-P240 WeakPolarHBondContact SG-CG 3.42Å
199	A	98.7	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.1	176.6	0	0	0	0	0	112.5	H177 L217 A241 Y243	H177-A199 VanDerWaalsContact O-CA 3.24Å; H177-A199 WeakPolarHBondContact O-CA 3.26Å; A199-L217 HydrophobicContact CB-CD2 3.97Å; A199-A241 PolarHBondContact N-O 3.47Å; A199-A241 PolarHBondContact O-N 2.79Å; A199-Y243 HydrophobicContact CB-CD2 3.95Å; A199-Y243 HydrophobicContact CB-CE2 3.68Å
200	G	98.2	Very high	97.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-164	-179.7	0	0	0	0	0	111.6	H177	H177-G200 PolarHBondContact N-O 3.42Å; H177-G200 PolarHBondContact O-N 2.89Å
201	L	97.6	Very high	97.6	Very high	48 Å²	48	37.6 Å²	37.6	25%	0.251	22%	0.215	S	C	.	.			trans	-116.3	116	167.8	-177.2	59.2	0	0	0	108.6	T203 G204 K206	L201-T203 WeakPolarHBondContact CG-OG1 3.39Å; L201-T203 PolarHBondContact O-N 3.45Å; L201-T203 VanDerWaalsContact O-N 3.16Å; L201-G204 WeakPolarHBondContact CD2-O 3.45Å; L201-G204 WeakPolarHBondContact O-CA 3.35Å; L201-G204 PolarHBondContact O-N 2.76Å; L201-K206 HydrophobicContact CB-CB 4.07Å; L201-K206 HydrophobicContact CD2-CB 4.14Å; L201-K206 HydrophobicContact CD2-CD 4.07Å; L201-K206 HydrophobicContact CD2-CG 4Å
202	W	97.3	Very high	97.6	Very high	81 Å²	81	32.8 Å²	32.8	31%	0.307	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.1	-174.1	-171.4	-103.9	0	0	0	113.3	L179 M183 G204 E238 P240	L179-W202 HydrophobicContact CD1-CE3 4.41Å; M183-W202 HydrophobicContact CB-CH2 4.46Å; M183-W202 HydrophobicContact CB-CZ3 3.91Å; M183-W202 HydrophobicContact CE-CB 4.5Å; M183-W202 HydrophobicContact CE-CD2 3.4Å; M183-W202 VanDerWaalsContact CE-CD2 3.4Å; M183-W202 HydrophobicContact CE-CE3 3.1Å; M183-W202 HydrophobicContact CE-CG 4.05Å; M183-W202 HydrophobicContact CE-CH2 4Å; M183-W202 HydrophobicContact CE-CZ2 4.28Å; M183-W202 HydrophobicContact CE-CZ3 3.42Å; M183-W202 VanDerWaalsContact CE-CZ3 3.42Å; W202-G204 PolarHBondContact O-N 2.81Å; W202-E238 HydrophobicContact CD2-CB 4.43Å; W202-E238 HydrophobicContact CD2-CG 4.35Å; W202-E238 HydrophobicContact CH2-CB 3.87Å; W202-E238 HydrophobicContact CH2-CG 4.42Å; W202-E238 HydrophobicContact CZ2-CB 3.69Å; W202-E238 HydrophobicContact CZ2-CG 3.73Å; W202-E238 HydrophobicContact CZ3-CB 4.27Å; W202-E238 PolarHBondContact NE1-OE1 2.85Å; W202-E238 PolarHBondContact O-N 3.01Å; W202-P240 HydrophobicContact CZ3-CG 4.37Å
203	T	97.5	Very high	97.6	Very high	107 Å²	107	32.3 Å²	32.3	66%	0.656	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	0.8	176.3	54.4	0	0	0	0	113.9	L201	L201-T203 WeakPolarHBondContact CG-OG1 3.39Å; L201-T203 PolarHBondContact O-N 3.45Å; L201-T203 VanDerWaalsContact O-N 3.16Å
204	G	97	Very high	97.6	Very high	9 Å²	9	31.3 Å²	31.3	9%	0.093	19%	0.186	C	C	.	.	S	Bend	trans	76.4	-175.5	-176.8	0	0	0	0	0	113.6	L201 W202 K206 A235	L201-G204 WeakPolarHBondContact CD2-O 3.45Å; L201-G204 WeakPolarHBondContact O-CA 3.35Å; L201-G204 PolarHBondContact O-N 2.76Å; W202-G204 PolarHBondContact O-N 2.81Å; G204-K206 VanDerWaalsContact C-N 3.3Å; G204-K206 PolarHBondContact O-N 2.8Å; G204-A235 WeakPolarHBondContact CA-O 3.35Å
205	G	96.5	Very high	97.7	Very high	44 Å²	44	25.9 Å²	25.9	45%	0.454	16%	0.16	S	C	.	.	S	Bend	trans	81.6	-5.8	174.8	0	0	0	0	0	115.7	G27 A235	G27-G205 VanDerWaalsContact CA-O 3.23Å; G27-G205 WeakPolarHBondContact CA-O 3.31Å; G205-A235 PolarHBondContact N-O 2.98Å
206	K	97.5	Very high	97.7	Very high	72 Å²	72	23 Å²	23	31%	0.313	15%	0.148	S	C	.	.			trans	-137.3	123.6	172.8	-65.2	-169.3	-179.8	-176.5	0	112	V26 G27 V174 L176 L201 G204	V26-K206 VanDerWaalsContact O-CA 3.26Å; V26-K206 WeakPolarHBondContact O-CA 3.07Å; G27-K206 WeakPolarHBondContact O-CE 3.35Å; V174-K206 HydrophobicContact CG2-CB 3.91Å; V174-K206 HydrophobicContact CG2-CD 4.11Å; V174-K206 HydrophobicContact CG2-CG 4.24Å; L176-K206 HydrophobicContact CD2-CB 4.03Å; L201-K206 HydrophobicContact CB-CB 4.07Å; L201-K206 HydrophobicContact CD2-CB 4.14Å; L201-K206 HydrophobicContact CD2-CD 4.07Å; L201-K206 HydrophobicContact CD2-CG 4Å; G204-K206 VanDerWaalsContact C-N 3.3Å; G204-K206 PolarHBondContact O-N 2.8Å
207	D	97.9	Very high	97.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	15%	0.147	C	C	.	.			trans	-163.7	162.3	-179.7	-158.3	2.1	0	0	0	112.3	I25 V26 P231 A235 A241	I25-D207 WeakPolarHBondContact CG2-O 3.22Å; V26-D207 PolarHBondContact N-O 2.79Å; V26-D207 PolarHBondContact O-N 3.09Å; V26-D207 VanDerWaalsContact O-N 3.11Å; D207-P231 WeakPolarHBondContact OD2-CD 3.41Å; D207-A235 HydrophobicContact CB-CB 3.69Å; D207-A235 PolarHBondContact OD2-N 2.78Å; D207-A241 WeakPolarHBondContact OD1-CB 3.44Å
208	T	97.1	Very high	97.7	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.043	15%	0.149	C	C	.	.			trans	-69.4	158.8	154.1	46.6	0	0	0	0	110.4	A154 D212 T227 Y243	A154-T208 HydrophobicContact CB-CG2 3.62Å; T208-D212 HydrophobicContact CG2-CB 4.22Å; T208-T227 HydrophobicContact CG2-CG2 3.99Å; T208-Y243 HydrophobicContact CG2-CE1 4.11Å; T208-Y243 VanDerWaalsContact CG2-OH 3.27Å; T208-Y243 WeakPolarHBondContact CG2-OH 3.45Å; T208-Y243 PolarHBondContact OG1-OH 2.96Å; T208-Y243 VanDerWaalsContact OG1-OH 3.05Å
209	C	96.9	Very high	97.7	Very high	14 Å²	14	23.1 Å²	23.1	10%	0.095	15%	0.149	C	C	.	.			trans	-141.3	-177.5	-179.9	-161.6	0	0	0	0	112.6	V26 S159 G211 D212 C234	V26-C209 HydrophobicContact CG2-CB 3.95Å; S159-C209 WeakPolarHBondContact O-CB 3.09Å; C209-G211 PolarHBondContact O-N 2.79Å; C209-D212 PolarHBondContact N-OD2 2.95Å; C209-D212 WeakPolarHBondContact O-CB 3.38Å; C209-D212 PolarHBondContact O-N 2.73Å; C209-C234 WeakPolarHBondContact CA-SG 3.43Å; C209-C234 HydrophobicContact CB-CB 3.71Å; C209-C234 WeakPolarHBondContact CB-SG 3.3Å; C209-C234 WeakPolarHBondContact SG-CB 3.39Å; C209-C234 CovalentContact SG-SG 2.03Å; C209-C234 PolarHBondContact SG-SG 3.01Å
210	G	93.9	Very high	97.6	Very high	38 Å²	38	29 Å²	29	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	125.9	178.4	0	0	0	0	0	111.5	G158 S159 F165	G158-G210 CarbonylContact C-O 3.46Å; G158-G210 WeakPolarHBondContact CA-O 3.28Å; S159-G210 PolarHBondContact N-O 2.76Å; F165-G210 VanDerWaalsContact CE2-O 3.3Å; F165-G210 WeakPolarHBondContact CE2-O 3.01Å
211	G	95.5	Very high	97.6	Very high	26 Å²	26	31.7 Å²	31.7	27%	0.268	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-12.9	-176.3	0	0	0	0	0	115.6	C209 S213	C209-G211 PolarHBondContact O-N 2.79Å; G211-S213 VanDerWaalsContact C-N 3.32Å
212	D	98.4	Very high	97.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	21%	0.207	C	C	.	.			trans	-83.3	-11	172.8	-67.1	-44	0	0	0	113.3	I25 G156 W157 G158 T208 C209 G214 G215 T227	I25-D212 WeakPolarHBondContact CD1-OD1 3.47Å; I25-D212 WeakPolarHBondContact CG1-OD2 3.4Å; G156-D212 VanDerWaalsContact CA-OD1 3.3Å; G156-D212 WeakPolarHBondContact CA-OD1 3.49Å; W157-D212 PolarHBondContact N-OD1 3.28Å; G158-D212 VanDerWaalsContact CA-OD1 3.26Å; G158-D212 WeakPolarHBondContact CA-OD1 3.08Å; G158-D212 PolarHBondContact N-OD1 2.76Å; T208-D212 HydrophobicContact CG2-CB 4.22Å; C209-D212 PolarHBondContact N-OD2 2.95Å; C209-D212 WeakPolarHBondContact O-CB 3.38Å; C209-D212 PolarHBondContact O-N 2.73Å; D212-G214 PolarHBondContact O-N 2.86Å; D212-G215 WeakPolarHBondContact O-CA 3.38Å; D212-G215 PolarHBondContact O-N 3.39Å; D212-T227 HydrophobicContact CB-CG2 4.32Å; D212-T227 WeakPolarHBondContact O-CB 3.35Å
213	S	98.2	Very high	97.7	Very high	21 Å²	21	27.4 Å²	27.4	15%	0.147	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	138.8	175.5	-67.1	0	0	0	0	112.9	C50 G51 H65 G211 G215	C50-S213 CarbonylContact C-O 3.59Å; C50-S213 WeakPolarHBondContact CA-O 3.09Å; C50-S213 WeakPolarHBondContact CB-O 3.44Å; G51-S213 PolarHBondContact N-O 2.74Å; H65-S213 WeakPolarHBondContact CE1-CB 3.48Å; H65-S213 PolarHBondContact CE1-OG 2.85Å; H65-S213 WeakPolarHBondContact NE2-CB 3.19Å; H65-S213 PolarHBondContact NE2-OG 2.82Å; G211-S213 VanDerWaalsContact C-N 3.32Å; S213-G215 PolarHBondContact O-N 2.89Å
214	G	98.7	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-12.9	-174.3	0	0	0	0	0	114.8	G51 G52 T62 D212 T227	G51-G214 VanDerWaalsContact C-C 3.49Å; G51-G214 CarbonylContact C-O 3.58Å; G51-G214 CarbonylContact O-C 3.46Å; G52-G214 VanDerWaalsContact CA-O 3.23Å; G52-G214 WeakPolarHBondContact CA-O 3.46Å; G52-G214 PolarHBondContact N-O 2.76Å; T62-G214 WeakPolarHBondContact OG1-CA 3.27Å; D212-G214 PolarHBondContact O-N 2.86Å; G214-T227 PolarHBondContact N-O 2.88Å
215	G	98.7	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	16%	0.158	C	C	.	.			trans	-68.6	166.9	176	0	0	0	0	0	113.9	D212 S213 I226 T227	D212-G215 WeakPolarHBondContact O-CA 3.38Å; D212-G215 PolarHBondContact O-N 3.39Å; S213-G215 PolarHBondContact O-N 2.89Å; G215-I226 WeakPolarHBondContact O-CA 3.5Å; G215-T227 PolarHBondContact O-N 2.79Å; G215-T227 PolarHBondContact O-OG1 2.82Å
216	P	98.8	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146.3	-176.9	30.8	-33.4	0	0	0	112.9	V53 A154 S155 V218 L223	V53-P216 HydrophobicContact CG2-CB 3.6Å; V53-P216 HydrophobicContact CG2-CG 4.22Å; A154-P216 WeakPolarHBondContact CA-O 3.25Å; S155-P216 WeakPolarHBondContact OG-CG 2.89Å; P216-V218 HydrophobicContact CB-CG2 3.86Å; P216-L223 HydrophobicContact CB-CD1 3.83Å
217	L	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.4	152.7	-176.3	73.1	0	0	0	108.4	C152 Y153 A154 L176 A199 Q224 G225 Y243	C152-L217 HydrophobicContact CB-CD1 3.56Å; C152-L217 HydrophobicContact CB-CD2 4.48Å; C152-L217 HydrophobicContact CB-CG 3.88Å; Y153-L217 CarbonylContact O-C 3.6Å; Y153-L217 WeakPolarHBondContact O-CA 3.27Å; A154-L217 HydrophobicContact CB-CD1 4.23Å; L176-L217 HydrophobicContact CD1-CD1 4.47Å; A199-L217 HydrophobicContact CB-CD2 3.97Å; L217-Q224 PolarHBondContact O-N 3.01Å; L217-G225 PolarHBondContact N-O 2.8Å; L217-G225 PolarHBondContact O-N 3.21Å; L217-G225 VanDerWaalsContact O-N 3.11Å; L217-Y243 HydrophobicContact CB-CD1 3.61Å; L217-Y243 HydrophobicContact CB-CE1 3.91Å; L217-Y243 HydrophobicContact CB-CG 4.27Å; L217-Y243 HydrophobicContact CD1-CD1 4.39Å; L217-Y243 HydrophobicContact CD1-CE1 3.99Å; L217-Y243 HydrophobicContact CD2-CD1 3.91Å; L217-Y243 HydrophobicContact CD2-CD2 3.99Å; L217-Y243 HydrophobicContact CD2-CE1 4.27Å; L217-Y243 HydrophobicContact CD2-CE2 4.4Å; L217-Y243 HydrophobicContact CD2-CG 3.76Å; L217-Y243 HydrophobicContact CG-CD1 4.17Å; L217-Y243 HydrophobicContact CG-CE1 4.28Å
218	V	98.8	Very high	98.1	Very high	14 Å²	14	17.1 Å²	17.1	9%	0.085	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.2	-174.5	-171	0	0	0	0	109.9	W38 L139 C152 Y153 P216 V222	W38-V218 HydrophobicContact CZ2-CG2 4.19Å; L139-V218 HydrophobicContact CD2-CG1 4.49Å; L139-V218 HydrophobicContact CD2-CG2 3.74Å; C152-V218 CarbonylContact C-O 3.46Å; C152-V218 WeakPolarHBondContact CA-O 3.43Å; Y153-V218 PolarHBondContact N-O 2.82Å; Y153-V218 PolarHBondContact O-N 3.29Å; P216-V218 HydrophobicContact CB-CG2 3.86Å; V218-V222 WeakPolarHBondContact CA-O 3.13Å
219	C	98.6	Very high	98.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	172.7	-30.1	0	0	0	0	108.5	P146 T150 C152 G221 V222 Q224	P146-C219 HydrophobicContact CB-CB 4.29Å; T150-C219 HydrophobicContact CG2-CB 3.88Å; C152-C219 HydrophobicContact CB-CB 4Å; C152-C219 WeakPolarHBondContact CB-SG 3.41Å; C152-C219 WeakPolarHBondContact SG-CB 3.37Å; C152-C219 CovalentContact SG-SG 2.03Å; C152-C219 PolarHBondContact SG-SG 3.49Å; C219-G221 PolarHBondContact O-N 3.2Å; C219-G221 VanDerWaalsContact O-N 3.16Å; C219-V222 PolarHBondContact N-O 2.82Å; C219-V222 VanDerWaalsContact N-O 3.15Å; C219-V222 WeakPolarHBondContact O-CG2 3.37Å; C219-V222 PolarHBondContact O-N 2.94Å; C219-Q224 HydrophobicContact CB-CB 4.41Å; C219-Q224 HydrophobicContact CB-CG 3.8Å
220	N	97.3	Very high	98.1	Very high	124 Å²	124	19.2 Å²	19.2	66%	0.663	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	34.5	-178.3	-55	-34.5	0	0	0	113.4	V222	N220-V222 VanDerWaalsContact C-N 3.31Å; N220-V222 PolarHBondContact O-N 3.29Å
221	G	97.9	Very high	98.2	Very high	56 Å²	56	17.9 Å²	17.9	58%	0.577	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	9.8	177.5	0	0	0	0	0	116.1	C219	C219-G221 PolarHBondContact O-N 3.2Å; C219-G221 VanDerWaalsContact O-N 3.16Å
222	V	98.7	Very high	98.1	Very high	39 Å²	39	24.6 Å²	24.6	24%	0.236	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.3	179.1	-64.6	0	0	0	0	112.1	P142 V218 C219 N220 Q224	P142-V222 HydrophobicContact CB-CB 4.44Å; P142-V222 HydrophobicContact CB-CG2 3.92Å; V218-V222 WeakPolarHBondContact CA-O 3.13Å; C219-V222 PolarHBondContact N-O 2.82Å; C219-V222 VanDerWaalsContact N-O 3.15Å; C219-V222 WeakPolarHBondContact O-CG2 3.37Å; C219-V222 PolarHBondContact O-N 2.94Å; N220-V222 VanDerWaalsContact C-N 3.31Å; N220-V222 PolarHBondContact O-N 3.29Å; V222-Q224 HydrophobicContact CG2-CG 4.3Å; V222-Q224 PolarHBondContact O-N 3.12Å; V222-Q224 VanDerWaalsContact O-N 3.1Å
223	L	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	90	-176.8	-177.9	61.5	0	0	0	112.5	V53 V55 L61 L139 G140 L141 P142 P216 G225 I226 V246	V53-L223 HydrophobicContact CB-CD1 4.44Å; V53-L223 HydrophobicContact CB-CD2 4.06Å; V53-L223 HydrophobicContact CG1-CD1 4.18Å; V53-L223 HydrophobicContact CG1-CD2 3.87Å; V53-L223 HydrophobicContact CG2-CD1 3.87Å; V53-L223 HydrophobicContact CG2-CD2 4.27Å; V55-L223 HydrophobicContact CG1-CD2 3.88Å; L61-L223 HydrophobicContact CD2-CD2 3.88Å; L139-L223 HydrophobicContact CD2-CB 3.69Å; L139-L223 HydrophobicContact CD2-CD1 4.09Å; L139-L223 HydrophobicContact CD2-CG 4.42Å; L139-L223 HydrophobicContact CG-CB 4.09Å; G140-L223 PolarHBondContact O-N 3.2Å; L141-L223 HydrophobicContact CD2-CD2 4.11Å; P142-L223 WeakPolarHBondContact CD-O 3.29Å; P142-L223 VanDerWaalsContact CG-O 3.25Å; P142-L223 WeakPolarHBondContact CG-O 3.39Å; P216-L223 HydrophobicContact CB-CD1 3.83Å; L223-G225 VanDerWaalsContact CD1-O 3.22Å; L223-G225 WeakPolarHBondContact CD1-O 3.48Å; L223-I226 HydrophobicContact CD1-CD1 4.15Å; L223-I226 HydrophobicContact CD2-CD1 4.21Å; L223-V246 HydrophobicContact CD2-CG1 4.37Å; L223-V246 HydrophobicContact CD2-CG2 4.44Å; L223-V246 HydrophobicContact CG-CG1 4.42Å; L223-V246 HydrophobicContact CG-CG2 4.16Å; L223-V246 WeakPolarHBondContact O-CB 3.48Å
224	Q	98.9	Very high	97.9	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-34.8	-177.7	-68.4	-69.6	7.3	0	0	113.2	Q144 P146 L197 L217 C219 V222 V246	Q144-Q224 PolarHBondContact O-NE2 3.38Å; P146-Q224 HydrophobicContact CB-CG 4.27Å; P146-Q224 HydrophobicContact CG-CB 4.08Å; P146-Q224 HydrophobicContact CG-CG 3.77Å; L197-Q224 HydrophobicContact CD1-CB 4.09Å; L197-Q224 VanDerWaalsContact CD1-O 3.3Å; L197-Q224 WeakPolarHBondContact CD1-O 3.43Å; L217-Q224 PolarHBondContact O-N 3.01Å; C219-Q224 HydrophobicContact CB-CB 4.41Å; C219-Q224 HydrophobicContact CB-CG 3.8Å; V222-Q224 HydrophobicContact CG2-CG 4.3Å; V222-Q224 PolarHBondContact O-N 3.12Å; V222-Q224 VanDerWaalsContact O-N 3.1Å; Q224-V246 PolarHBondContact O-N 3.12Å
225	G	98.9	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.6	-177.3	0	0	0	0	0	113.5	L217 L223 T244	L217-G225 PolarHBondContact N-O 2.8Å; L217-G225 PolarHBondContact O-N 3.21Å; L217-G225 VanDerWaalsContact O-N 3.11Å; L223-G225 VanDerWaalsContact CD1-O 3.22Å; L223-G225 WeakPolarHBondContact CD1-O 3.48Å; G225-T244 VanDerWaalsContact CA-O 3.29Å; G225-T244 WeakPolarHBondContact CA-O 3.44Å
226	I	98.9	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126	163.9	-71.1	-68.1	0	0	0	107.6	V53 L61 A63 L121 G215 L223 S228 Y243 T244 V246	V53-I226 HydrophobicContact CB-CD1 4.42Å; V53-I226 HydrophobicContact CG2-CD1 3.61Å; L61-I226 HydrophobicContact CD2-CD1 4.31Å; L61-I226 HydrophobicContact CD2-CG1 4.08Å; L61-I226 HydrophobicContact CG-CD1 4.38Å; L61-I226 HydrophobicContact CG-CG1 4.32Å; A63-I226 HydrophobicContact CB-CG2 4.26Å; L121-I226 HydrophobicContact CD1-CB 4.02Å; L121-I226 HydrophobicContact CD1-CG1 3.72Å; L121-I226 HydrophobicContact CD1-CG2 4.36Å; G215-I226 WeakPolarHBondContact O-CA 3.5Å; L223-I226 HydrophobicContact CD1-CD1 4.15Å; L223-I226 HydrophobicContact CD2-CD1 4.21Å; I226-S228 PolarHBondContact O-N 3.41Å; I226-Y243 CarbonylContact O-C 3.58Å; I226-Y243 WeakPolarHBondContact O-CA 3.5Å; I226-T244 PolarHBondContact N-O 3.27Å; I226-T244 VanDerWaalsContact N-O 3.14Å; I226-T244 PolarHBondContact O-N 3.41Å; I226-V246 HydrophobicContact CG1-CG2 3.88Å
227	T	98.8	Very high	97.7	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	124.5	179.4	-51.9	0	0	0	0	110.3	T208 D212 G214 G215 Y243	T208-T227 HydrophobicContact CG2-CG2 3.99Å; D212-T227 HydrophobicContact CB-CG2 4.32Å; D212-T227 WeakPolarHBondContact O-CB 3.35Å; G214-T227 PolarHBondContact N-O 2.88Å; G215-T227 PolarHBondContact O-N 2.79Å; G215-T227 PolarHBondContact O-OG1 2.82Å; T227-Y243 HydrophobicContact CG2-CE1 4.29Å; T227-Y243 WeakPolarHBondContact OG1-CE1 3.44Å
228	S	98.5	Very high	97.7	Very high	7 Å²	7	38.9 Å²	38.9	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-66.1	-175.9	-179	0	0	0	0	111.2	H65 D120 I226 V242	H65-S228 PolarHBondContact CE1-O 2.91Å; D120-S228 WeakPolarHBondContact CB-OG 3.24Å; D120-S228 WeakPolarHBondContact OD2-CB 3.43Å; D120-S228 PolarHBondContact OD2-OG 2.91Å; I226-S228 PolarHBondContact O-N 3.41Å; S228-V242 WeakPolarHBondContact CB-O 3.41Å; S228-V242 PolarHBondContact N-O 3.01Å; S228-V242 VanDerWaalsContact N-O 3.11Å
229	W	97.7	Very high	97.7	Very high	33 Å²	33	41.7 Å²	41.7	13%	0.125	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165.9	-177.8	63.7	-90.4	0	0	0	111.3	L111 S117 Y188 E190 V192 V242	L111-W229 HydrophobicContact CD1-CB 4.12Å; L111-W229 HydrophobicContact CD1-CD2 3.76Å; L111-W229 HydrophobicContact CD1-CE3 4.3Å; L111-W229 HydrophobicContact CD1-CG 3.66Å; S117-W229 PolarHBondContact OG-NE1 2.94Å; Y188-W229 HydrophobicContact CD1-CH2 4.06Å; Y188-W229 AromaticContact CD1-CZ3 3.6Å; Y188-W229 HydrophobicContact CD1-CZ3 3.6Å; Y188-W229 AromaticContact CD2-CH2 3.61Å; Y188-W229 HydrophobicContact CD2-CH2 3.61Å; Y188-W229 AromaticContact CD2-CZ3 3.76Å; Y188-W229 HydrophobicContact CD2-CZ3 3.76Å; Y188-W229 AromaticContact CE1-CZ3 3.81Å; Y188-W229 HydrophobicContact CE1-CZ3 3.81Å; Y188-W229 HydrophobicContact CE2-CH2 4.17Å; Y188-W229 AromaticContact CE2-CZ3 3.96Å; Y188-W229 HydrophobicContact CE2-CZ3 3.96Å; Y188-W229 AromaticContact CG-CH2 3.56Å; Y188-W229 HydrophobicContact CG-CH2 3.56Å; Y188-W229 AromaticContact CG-CZ3 3.59Å; Y188-W229 HydrophobicContact CG-CZ3 3.59Å; Y188-W229 AromaticContact CZ-CZ3 3.98Å; E190-W229 HydrophobicContact CB-CH2 3.81Å; E190-W229 HydrophobicContact CB-CZ2 4.09Å; E190-W229 HydrophobicContact CB-CZ3 4.42Å; E190-W229 HydrophobicContact CG-CH2 4.37Å; V192-W229 HydrophobicContact CG2-CH2 4.44Å; V192-W229 HydrophobicContact CG2-CZ2 4.4Å; W229-V242 HydrophobicContact CD2-CB 3.92Å; W229-V242 HydrophobicContact CD2-CG2 4.2Å; W229-V242 HydrophobicContact CG-CB 4.23Å; W229-V242 HydrophobicContact CH2-CG2 3.84Å; W229-V242 HydrophobicContact CZ2-CB 3.93Å; W229-V242 HydrophobicContact CZ2-CG1 4.21Å; W229-V242 HydrophobicContact CZ2-CG2 3.48Å; W229-V242 VanDerWaalsContact CZ2-CG2 3.48Å; W229-V242 HydrophobicContact CZ3-CG2 4.33Å; W229-V242 PolarHBondContact N-O 2.94Å; W229-V242 PolarHBondContact O-N 2.75Å
230	G	97	Very high	97.7	Very high	32 Å²	32	41.7 Å²	41.7	33%	0.33	24%	0.24	S	C	.	.			trans	-164.1	-168.8	-178.2	0	0	0	0	0	111.2
231	P	95.6	Very high	97.7	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.071	21%	0.208	C	C	.	.			trans	-74.2	154.4	-179.8	34.3	-35.3	0	0	0	112	Y188 D207 P233 C234 L236 K239	Y188-P231 HydrophobicContact CE1-CB 4.49Å; Y188-P231 VanDerWaalsContact OH-CD 3.28Å; Y188-P231 WeakPolarHBondContact OH-CD 3.29Å; D207-P231 WeakPolarHBondContact OD2-CD 3.41Å; P231-P233 CarbonylContact C-O 3.59Å; P231-P233 WeakPolarHBondContact CB-O 3.11Å; P231-P233 CarbonylContact O-C 3.58Å; P231-C234 PolarHBondContact O-N 3.22Å; P231-L236 HydrophobicContact CB-CD1 4.31Å; P231-K239 HydrophobicContact CB-CB 3.83Å; P231-K239 HydrophobicContact CB-CG 4.39Å; P231-K239 HydrophobicContact CG-CB 3.89Å; P231-K239 WeakPolarHBondContact CG-O 3.47Å
232	E	93.9	Very high	97.8	Very high	167 Å²	167	33.2 Å²	33.2	78%	0.78	18%	0.181	S	C	*	.	S	Bend	trans	-121.4	119.5	162.8	-71.3	-178.6	177.1	0	0	107.8
233	P	95.7	Very high	97.8	Very high	43 Å²	43	31.3 Å²	31.3	28%	0.279	17%	0.17	S	C	.	.	S	Bend	cis	-61.6	156.4	-4.5	-24.7	36.3	0	0	0	114.8	P162 E163 P231 L236	P162-P233 HydrophobicContact CB-CB 4.29Å; P162-P233 WeakPolarHBondContact O-CA 3.06Å; P162-P233 WeakPolarHBondContact O-CB 3.21Å; E163-P233 HydrophobicContact CG-CB 3.79Å; E163-P233 HydrophobicContact CG-CG 3.7Å; P231-P233 CarbonylContact C-O 3.59Å; P231-P233 WeakPolarHBondContact CB-O 3.11Å; P231-P233 CarbonylContact O-C 3.58Å; P233-L236 WeakPolarHBondContact O-CG 2.98Å
234	C	97	Very high	97.8	Very high	12 Å²	12	31.5 Å²	31.5	8%	0.081	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	156.4	176.4	-54.8	0	0	0	0	111.6	V26 P162 C209 P231 L236	V26-C234 HydrophobicContact CG2-CB 4.08Å; P162-C234 HydrophobicContact CB-CB 4.37Å; P162-C234 VanDerWaalsContact CB-O 3.24Å; P162-C234 WeakPolarHBondContact CB-O 3.49Å; P162-C234 PolarHBondContact O-N 2.93Å; C209-C234 WeakPolarHBondContact CA-SG 3.43Å; C209-C234 HydrophobicContact CB-CB 3.71Å; C209-C234 WeakPolarHBondContact CB-SG 3.3Å; C209-C234 WeakPolarHBondContact SG-CB 3.39Å; C209-C234 CovalentContact SG-SG 2.03Å; C209-C234 PolarHBondContact SG-SG 3.01Å; P231-C234 PolarHBondContact O-N 3.22Å; C234-L236 PolarHBondContact O-N 2.95Å
235	A	97.3	Very high	97.8	Very high	10 Å²	10	32.1 Å²	32.1	8%	0.083	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	25.5	174.8	0	0	0	0	0	116.1	V26 G204 G205 D207	V26-A235 HydrophobicContact CB-CB 4.03Å; V26-A235 HydrophobicContact CG1-CB 3.45Å; V26-A235 VanDerWaalsContact CG1-CB 3.45Å; G204-A235 WeakPolarHBondContact CA-O 3.35Å; G205-A235 PolarHBondContact N-O 2.98Å; D207-A235 HydrophobicContact CB-CB 3.69Å; D207-A235 PolarHBondContact OD2-N 2.78Å
236	L	97.7	Very high	97.8	Very high	63 Å²	63	32.1 Å²	32.1	33%	0.33	17%	0.174	S	C	.	.			trans	-61.6	144.1	170.2	-76.8	176.5	0	0	0	111.6	P231 P233 C234 K239	P231-L236 HydrophobicContact CB-CD1 4.31Å; P233-L236 WeakPolarHBondContact O-CG 2.98Å; C234-L236 PolarHBondContact O-N 2.95Å; L236-K239 HydrophobicContact CB-CB 3.74Å; L236-K239 HydrophobicContact CB-CG 3.82Å; L236-K239 HydrophobicContact CD1-CG 4.24Å; L236-K239 PolarHBondContact O-N 3.36Å
237	P	97.7	Very high	97.7	Very high	79 Å²	79	33.2 Å²	33.2	51%	0.513	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	144.4	167.5	-22.5	33.5	0	0	0	111.8	K239	P237-K239 PolarHBondContact O-N 3.27Å; P237-K239 VanDerWaalsContact O-N 3.09Å
238	E	98.2	Very high	97.7	Very high	114 Å²	114	36.9 Å²	36.9	53%	0.533	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	18.5	179.6	-46.9	-161.3	146.6	0	0	115.1	A187 W202	A187-E238 WeakPolarHBondContact CB-O 3.38Å; W202-E238 HydrophobicContact CD2-CB 4.43Å; W202-E238 HydrophobicContact CD2-CG 4.35Å; W202-E238 HydrophobicContact CH2-CB 3.87Å; W202-E238 HydrophobicContact CH2-CG 4.42Å; W202-E238 HydrophobicContact CZ2-CB 3.69Å; W202-E238 HydrophobicContact CZ2-CG 3.73Å; W202-E238 HydrophobicContact CZ3-CB 4.27Å; W202-E238 PolarHBondContact NE1-OE1 2.85Å; W202-E238 PolarHBondContact O-N 3.01Å
239	K	98.1	Very high	97.7	Very high	73 Å²	73	36.8 Å²	36.8	32%	0.317	20%	0.196	S	C	.	.			trans	-128.2	72.3	-178.7	-67.8	-71.5	-173.7	169.6	0	111	A187 Y188 P231 L236 P237	A187-K239 HydrophobicContact CB-CD 4.29Å; A187-K239 PolarHBondContact O-NZ 2.91Å; Y188-K239 HydrophobicContact CE1-CD 4.11Å; P231-K239 HydrophobicContact CB-CB 3.83Å; P231-K239 HydrophobicContact CB-CG 4.39Å; P231-K239 HydrophobicContact CG-CB 3.89Å; P231-K239 WeakPolarHBondContact CG-O 3.47Å; L236-K239 HydrophobicContact CB-CB 3.74Å; L236-K239 HydrophobicContact CB-CG 3.82Å; L236-K239 HydrophobicContact CD1-CG 4.24Å; L236-K239 PolarHBondContact O-N 3.36Å; P237-K239 PolarHBondContact O-N 3.27Å; P237-K239 VanDerWaalsContact O-N 3.09Å
240	P	98.3	Very high	97.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.013	21%	0.207	C	C	.	.			trans	-66.6	158	175.1	27.9	-34.8	0	0	0	112.5	L179 C184 Y188 C198 W202	L179-P240 HydrophobicContact CD1-CB 3.65Å; L179-P240 HydrophobicContact CD1-CG 3.99Å; C184-P240 VanDerWaalsContact SG-CG 3.55Å; Y188-P240 WeakPolarHBondContact CE2-O 3.37Å; Y188-P240 VanDerWaalsContact CZ-O 3.25Å; Y188-P240 PolarHBondContact OH-O 2.99Å; C198-P240 WeakPolarHBondContact SG-CG 3.42Å; W202-P240 HydrophobicContact CZ3-CG 4.37Å
241	A	98.6	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	164.6	176.5	0	0	0	0	0	112.7	A199 D207 Y243	A199-A241 PolarHBondContact N-O 3.47Å; A199-A241 PolarHBondContact O-N 2.79Å; D207-A241 WeakPolarHBondContact OD1-CB 3.44Å; A241-Y243 HydrophobicContact CB-CE2 3.91Å
242	V	98.7	Very high	98	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.2	-177.3	172.5	0	0	0	0	111.2	C184 M196 L197 S228 W229	C184-V242 HydrophobicContact CB-CG2 4.43Å; M196-V242 HydrophobicContact CB-CG1 3.78Å; M196-V242 HydrophobicContact CG-CG1 3.74Å; M196-V242 HydrophobicContact SD-CG1 3.68Å; L197-V242 WeakPolarHBondContact O-CA 3.41Å; S228-V242 WeakPolarHBondContact CB-O 3.41Å; S228-V242 PolarHBondContact N-O 3.01Å; S228-V242 VanDerWaalsContact N-O 3.11Å; W229-V242 HydrophobicContact CD2-CB 3.92Å; W229-V242 HydrophobicContact CD2-CG2 4.2Å; W229-V242 HydrophobicContact CG-CB 4.23Å; W229-V242 HydrophobicContact CH2-CG2 3.84Å; W229-V242 HydrophobicContact CZ2-CB 3.93Å; W229-V242 HydrophobicContact CZ2-CG1 4.21Å; W229-V242 HydrophobicContact CZ2-CG2 3.48Å; W229-V242 VanDerWaalsContact CZ2-CG2 3.48Å; W229-V242 HydrophobicContact CZ3-CG2 4.33Å; W229-V242 PolarHBondContact N-O 2.94Å; W229-V242 PolarHBondContact O-N 2.75Å
243	Y	98.8	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.6	-179	-57.9	-104.3	0	0	0	109.3	L176 M196 L197 A199 T208 L217 I226 T227 A241 K245	L176-Y243 WeakPolarHBondContact CD1-OH 3.25Å; M196-Y243 CarbonylContact C-O 3.4Å; M196-Y243 WeakPolarHBondContact CA-O 3.38Å; L197-Y243 PolarHBondContact N-O 3.11Å; L197-Y243 PolarHBondContact O-N 3.28Å; A199-Y243 HydrophobicContact CB-CD2 3.95Å; A199-Y243 HydrophobicContact CB-CE2 3.68Å; T208-Y243 HydrophobicContact CG2-CE1 4.11Å; T208-Y243 VanDerWaalsContact CG2-OH 3.27Å; T208-Y243 WeakPolarHBondContact CG2-OH 3.45Å; T208-Y243 PolarHBondContact OG1-OH 2.96Å; T208-Y243 VanDerWaalsContact OG1-OH 3.05Å; L217-Y243 HydrophobicContact CB-CD1 3.61Å; L217-Y243 HydrophobicContact CB-CE1 3.91Å; L217-Y243 HydrophobicContact CB-CG 4.27Å; L217-Y243 HydrophobicContact CD1-CD1 4.39Å; L217-Y243 HydrophobicContact CD1-CE1 3.99Å; L217-Y243 HydrophobicContact CD2-CD1 3.91Å; L217-Y243 HydrophobicContact CD2-CD2 3.99Å; L217-Y243 HydrophobicContact CD2-CE1 4.27Å; L217-Y243 HydrophobicContact CD2-CE2 4.4Å; L217-Y243 HydrophobicContact CD2-CG 3.76Å; L217-Y243 HydrophobicContact CG-CD1 4.17Å; L217-Y243 HydrophobicContact CG-CE1 4.28Å; I226-Y243 CarbonylContact O-C 3.58Å; I226-Y243 WeakPolarHBondContact O-CA 3.5Å; T227-Y243 HydrophobicContact CG2-CE1 4.29Å; T227-Y243 WeakPolarHBondContact OG1-CE1 3.44Å; A241-Y243 HydrophobicContact CB-CE2 3.91Å; Y243-K245 PolarHBondContact O-N 3.33Å
244	T	98.9	Very high	98.4	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124.7	173.6	-62.3	0	0	0	0	110.1	D120 L121 G225 I226 V246 Y249	D120-T244 PolarHBondContact O-OG1 2.76Å; L121-T244 HydrophobicContact CB-CG2 4.11Å; L121-T244 HydrophobicContact CD1-CG2 4Å; L121-T244 HydrophobicContact CD2-CG2 4.47Å; L121-T244 HydrophobicContact CG-CG2 4.44Å; G225-T244 VanDerWaalsContact CA-O 3.29Å; G225-T244 WeakPolarHBondContact CA-O 3.44Å; I226-T244 PolarHBondContact N-O 3.27Å; I226-T244 VanDerWaalsContact N-O 3.14Å; I226-T244 PolarHBondContact O-N 3.41Å; T244-V246 PolarHBondContact O-N 3.23Å; T244-V246 VanDerWaalsContact O-N 3.1Å; T244-Y249 HydrophobicContact CG2-CD2 4.04Å; T244-Y249 HydrophobicContact CG2-CE2 3.43Å; T244-Y249 VanDerWaalsContact CG2-CE2 3.43Å
245	K	98.8	Very high	98.5	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	93.4	-173.4	-171.6	168.2	179	-161.4	0	111.9	E145 E194 F195 L197 Y243 V247 H248 Y249	E145-K245 VanDerWaalsContact CG-CE 3.5Å; E145-K245 WeakPolarHBondContact OE1-CE 3.45Å; E145-K245 IonicContact OE1-NZ 3.87Å; E145-K245 PolarHBondContact OE1-NZ 3.44Å; E145-K245 WeakPolarHBondContact OE2-CE 3.43Å; E145-K245 IonicContact OE2-NZ 3.86Å; E145-K245 PolarHBondContact OE2-NZ 2.84Å; E194-K245 WeakPolarHBondContact O-CD 3.15Å; F195-K245 WeakPolarHBondContact O-CB 2.95Å; F195-K245 PolarHBondContact O-N 2.92Å; L197-K245 HydrophobicContact CD1-CG 4.24Å; L197-K245 HydrophobicContact CD2-CB 4.36Å; L197-K245 HydrophobicContact CD2-CD 3.57Å; L197-K245 HydrophobicContact CD2-CG 3.72Å; L197-K245 HydrophobicContact CG-CB 3.84Å; L197-K245 HydrophobicContact CG-CD 4Å; L197-K245 HydrophobicContact CG-CG 3.68Å; Y243-K245 PolarHBondContact O-N 3.33Å; K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 HydrophobicContact CG-CG1 4.11Å; K245-V247 PolarHBondContact O-N 3.28Å; K245-V247 VanDerWaalsContact O-N 3.12Å; K245-H248 PolarHBondContact NZ-NE2 3.18Å; K245-H248 PolarHBondContact O-N 3.49Å; K245-Y249 VanDerWaalsContact O-CD2 3.24Å; K245-Y249 WeakPolarHBondContact O-CD2 3.31Å; K245-Y249 WeakPolarHBondContact O-CE2 3.34Å
246	V	98.9	Very high	98.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31.7	-164.7	174.2	0	0	0	0	113.7	L61 L141 P142 L223 Q224 I226 T244 H248 Y249 I253	L61-V246 HydrophobicContact CD2-CG1 4.22Å; L61-V246 HydrophobicContact CD2-CG2 4.41Å; L141-V246 HydrophobicContact CD2-CG1 3.92Å; P142-V246 HydrophobicContact CG-CB 4.47Å; P142-V246 HydrophobicContact CG-CG1 4.39Å; L223-V246 HydrophobicContact CD2-CG1 4.37Å; L223-V246 HydrophobicContact CD2-CG2 4.44Å; L223-V246 HydrophobicContact CG-CG1 4.42Å; L223-V246 HydrophobicContact CG-CG2 4.16Å; L223-V246 WeakPolarHBondContact O-CB 3.48Å; Q224-V246 PolarHBondContact O-N 3.12Å; I226-V246 HydrophobicContact CG1-CG2 3.88Å; T244-V246 PolarHBondContact O-N 3.23Å; T244-V246 VanDerWaalsContact O-N 3.1Å; V246-H248 PolarHBondContact O-N 2.8Å; V246-Y249 PolarHBondContact O-N 3.25Å; V246-I253 HydrophobicContact CG1-CD1 4.22Å
247	V	98.6	Very high	98.6	Very high	22 Å²	22	45.5 Å²	45.5	13%	0.133	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.8	-178.2	70.8	0	0	0	0	113.1	P142 E145 K245 Y249 R250	P142-V247 HydrophobicContact CB-CB 4.46Å; P142-V247 HydrophobicContact CG-CB 3.91Å; P142-V247 HydrophobicContact CG-CG2 4.43Å; E145-V247 HydrophobicContact CG-CG1 3.57Å; K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 HydrophobicContact CG-CG1 4.11Å; K245-V247 PolarHBondContact O-N 3.28Å; K245-V247 VanDerWaalsContact O-N 3.12Å; V247-Y249 PolarHBondContact O-N 3.03Å; V247-R250 WeakPolarHBondContact O-CG 3.49Å
248	H	98.6	Very high	98.6	Very high	83 Å²	83	45.7 Å²	45.7	38%	0.384	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.6	-17.6	176.2	-71.4	-45.8	0	0	0	113.3	E145 E194 F195 K245 V246	E145-H248 IonicContact OE1-CE1 2.74Å; E145-H248 PolarHBondContact OE1-CE1 2.92Å; E145-H248 VanDerWaalsContact OE1-CE1 3.27Å; E145-H248 IonicContact OE1-NE2 2.76Å; E145-H248 PolarHBondContact OE1-NE2 3.43Å; E194-H248 PolarHBondContact O-CD2 3.19Å; E194-H248 PolarHBondContact O-NE2 3.11Å; F195-H248 HydrophobicContact CD1-CB 4.29Å; K245-H248 PolarHBondContact NZ-NE2 3.18Å; K245-H248 PolarHBondContact O-N 3.49Å; V246-H248 PolarHBondContact O-N 2.8Å
249	Y	98.8	Very high	98.7	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.02	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-104.2	1.8	-174.4	-59.6	-88.7	0	0	0	113.5	H98 H119 L121 F195 T244 K245 V246 V247 K251 W252 I253	H98-Y249 AromaticContact CD2-CD1 3.5Å; H98-Y249 AromaticContact CD2-CE1 3.71Å; H98-Y249 AromaticContact NE2-CD1 3.56Å; H98-Y249 AromaticContact NE2-CE1 3.68Å; H119-Y249 WeakPolarHBondContact CA-OH 3.24Å; H119-Y249 HydrophobicContact CB-CE1 3.98Å; H119-Y249 PolarHBondContact N-OH 2.83Å; H119-Y249 AromaticContact ND1-CE1 3.54Å; H119-Y249 AromaticContact ND1-CZ 3.63Å; H119-Y249 PolarHBondContact ND1-OH 2.83Å; L121-Y249 VanDerWaalsContact CD2-CB 3.5Å; L121-Y249 HydrophobicContact CD2-CD1 3.77Å; L121-Y249 HydrophobicContact CD2-CD2 3.84Å; L121-Y249 HydrophobicContact CD2-CE1 4.44Å; L121-Y249 HydrophobicContact CD2-CG 3.41Å; L121-Y249 VanDerWaalsContact CD2-CG 3.41Å; F195-Y249 WeakPolarHBondContact CB-OH 3.37Å; T244-Y249 HydrophobicContact CG2-CD2 4.04Å; T244-Y249 HydrophobicContact CG2-CE2 3.43Å; T244-Y249 VanDerWaalsContact CG2-CE2 3.43Å; K245-Y249 VanDerWaalsContact O-CD2 3.24Å; K245-Y249 WeakPolarHBondContact O-CD2 3.31Å; K245-Y249 WeakPolarHBondContact O-CE2 3.34Å; V246-Y249 PolarHBondContact O-N 3.25Å; V247-Y249 PolarHBondContact O-N 3.03Å; Y249-K251 VanDerWaalsContact C-N 3.27Å; Y249-K251 PolarHBondContact O-N 3.18Å; Y249-W252 PolarHBondContact O-N 2.84Å; Y249-W252 VanDerWaalsContact O-N 3.12Å; Y249-I253 VanDerWaalsContact O-CG1 3.31Å; Y249-I253 WeakPolarHBondContact O-CG1 3.23Å; Y249-I253 PolarHBondContact O-N 3.35Å
250	R	98.6	Very high	98.7	Very high	98 Å²	98	43 Å²	43	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-51.7	-44.9	-177	-68.3	-179.9	81.6	-137.4	-6.7	113.3	P142 V247 I253 K254	P142-R250 WeakPolarHBondContact O-CD 3.28Å; P142-R250 PolarHBondContact O-NE 2.96Å; V247-R250 WeakPolarHBondContact O-CG 3.49Å; R250-I253 PolarHBondContact O-N 3.35Å; R250-K254 WeakPolarHBondContact O-CG 3.4Å; R250-K254 PolarHBondContact O-N 3.38Å
251	K	98.5	Very high	98.5	Very high	160 Å²	160	48.2 Å²	48.2	70%	0.696	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-53	179.2	-177.8	178	177.7	-174.2	0	110.5	Y249 I253 K254 D255	Y249-K251 VanDerWaalsContact C-N 3.27Å; Y249-K251 PolarHBondContact O-N 3.18Å; K251-I253 VanDerWaalsContact C-N 3.31Å; K251-I253 PolarHBondContact O-N 2.72Å; K251-K254 PolarHBondContact O-N 3.06Å; K251-K254 VanDerWaalsContact O-N 3.17Å; K251-D255 WeakPolarHBondContact CE-OD2 3.34Å; K251-D255 WeakPolarHBondContact CG-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.13Å; K251-D255 VanDerWaalsContact O-CG 3.22Å; K251-D255 PolarHBondContact O-N 3.48Å
252	W	98.8	Very high	98.5	Very high	40 Å²	40	50.6 Å²	50.6	15%	0.152	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-42.3	176.9	171.8	79.3	0	0	0	112.6	L61 F96 H98 L121 L123 Y249 K254 T256	L61-W252 HydrophobicContact CD1-CZ3 4.28Å; F96-W252 WeakPolarHBondContact O-CH2 3.47Å; F96-W252 WeakPolarHBondContact O-CZ2 3.29Å; H98-W252 HydrophobicContact CB-CH2 4.39Å; H98-W252 HydrophobicContact CB-CZ2 4.2Å; H98-W252 AromaticContact CD2-CD1 3.9Å; H98-W252 AromaticContact CD2-CD2 3.41Å; H98-W252 VanDerWaalsContact CD2-CD2 3.41Å; H98-W252 AromaticContact CD2-CE2 3.59Å; H98-W252 AromaticContact CD2-CE3 3.79Å; H98-W252 AromaticContact CD2-CG 3.64Å; H98-W252 AromaticContact CD2-NE1 3.88Å; H98-W252 AromaticContact NE2-CD1 4Å; H98-W252 AromaticContact NE2-CG 3.79Å; L121-W252 HydrophobicContact CD2-CE3 4.11Å; L121-W252 HydrophobicContact CD2-CZ3 3.72Å; L121-W252 HydrophobicContact CG-CZ3 4.09Å; L123-W252 HydrophobicContact CB-CH2 4.24Å; L123-W252 HydrophobicContact CD1-CH2 4.1Å; L123-W252 HydrophobicContact CD1-CZ3 4.1Å; L123-W252 HydrophobicContact CG-CH2 3.98Å; L123-W252 HydrophobicContact CG-CZ3 4.08Å; Y249-W252 PolarHBondContact O-N 2.84Å; Y249-W252 VanDerWaalsContact O-N 3.12Å; W252-K254 PolarHBondContact O-N 3.29Å; W252-T256 PolarHBondContact NE1-OG1 3.17Å; W252-T256 VanDerWaalsContact O-CB 3.23Å; W252-T256 WeakPolarHBondContact O-CB 3.41Å; W252-T256 PolarHBondContact O-N 2.89Å; W252-T256 PolarHBondContact O-OG1 3.01Å
253	I	98.9	Very high	98.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-49	177.3	-67.5	166.3	0	0	0	110.4	L61 L123 L141 V246 Y249 R250 K251 I257	L61-I253 HydrophobicContact CD1-CD1 4.18Å; L61-I253 HydrophobicContact CD1-CG1 4.2Å; L61-I253 HydrophobicContact CD2-CD1 3.9Å; L123-I253 HydrophobicContact CD1-CB 4.5Å; L123-I253 HydrophobicContact CD1-CG2 4.31Å; L123-I253 HydrophobicContact CD2-CG2 4.48Å; L141-I253 HydrophobicContact CD1-CB 4.44Å; L141-I253 HydrophobicContact CD1-CD1 4.11Å; L141-I253 HydrophobicContact CD1-CG2 3.86Å; L141-I253 HydrophobicContact CD2-CD1 4.28Å; V246-I253 HydrophobicContact CG1-CD1 4.22Å; Y249-I253 VanDerWaalsContact O-CG1 3.31Å; Y249-I253 WeakPolarHBondContact O-CG1 3.23Å; Y249-I253 PolarHBondContact O-N 3.35Å; R250-I253 PolarHBondContact O-N 3.35Å; K251-I253 VanDerWaalsContact C-N 3.31Å; K251-I253 PolarHBondContact O-N 2.72Å; I253-I257 HydrophobicContact CG2-CD1 3.89Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.4Å; I253-I257 PolarHBondContact O-N 2.8Å
254	K	98.7	Very high	98.4	Very high	122 Å²	122	56.2 Å²	56.2	53%	0.53	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-45.3	-179.1	-69.9	-62.3	-176.1	-174.3	0	112.3	R250 K251 W252 T256 I257 A258	R250-K254 WeakPolarHBondContact O-CG 3.4Å; R250-K254 PolarHBondContact O-N 3.38Å; K251-K254 PolarHBondContact O-N 3.06Å; K251-K254 VanDerWaalsContact O-N 3.17Å; W252-K254 PolarHBondContact O-N 3.29Å; K254-T256 VanDerWaalsContact C-N 3.33Å; K254-T256 PolarHBondContact O-N 2.85Å; K254-I257 PolarHBondContact O-N 2.71Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 3.5Å
255	D	98.7	Very high	98.4	Very high	89 Å²	89	59.2 Å²	59.2	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-42.3	179.2	-66.9	-10.2	0	0	0	110.6	K251 A258 A259	K251-D255 WeakPolarHBondContact CE-OD2 3.34Å; K251-D255 WeakPolarHBondContact CG-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.13Å; K251-D255 VanDerWaalsContact O-CG 3.22Å; K251-D255 PolarHBondContact O-N 3.48Å; D255-A258 PolarHBondContact O-N 2.83Å; D255-A259 VanDerWaalsContact O-CB 3.25Å; D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.48Å
256	T	98.8	Very high	98.4	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.092	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-44.9	177.9	-57.6	0	0	0	0	111.9	W59 F96 L123 W252 K254 A259 N260	W59-T256 HydrophobicContact CH2-CG2 4.41Å; W59-T256 HydrophobicContact CZ3-CG2 4.4Å; F96-T256 HydrophobicContact CB-CG2 4.01Å; F96-T256 HydrophobicContact CD1-CG2 4.03Å; F96-T256 HydrophobicContact CG-CG2 3.95Å; L123-T256 HydrophobicContact CD1-CG2 3.68Å; W252-T256 PolarHBondContact NE1-OG1 3.17Å; W252-T256 VanDerWaalsContact O-CB 3.23Å; W252-T256 WeakPolarHBondContact O-CB 3.41Å; W252-T256 PolarHBondContact O-N 2.89Å; W252-T256 PolarHBondContact O-OG1 3.01Å; K254-T256 VanDerWaalsContact C-N 3.33Å; K254-T256 PolarHBondContact O-N 2.85Å; T256-A259 PolarHBondContact O-N 2.98Å; T256-N260 WeakPolarHBondContact O-CB 3.25Å; T256-N260 PolarHBondContact O-N 3.5Å; T256-N260 PolarHBondContact O-ND2 2.94Å
257	I	98.6	Very high	98.3	Very high	29 Å²	29	65.9 Å²	65.9	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-43.6	177.3	-70.6	172.3	0	0	0	110.8	W59 L123 I253 K254	W59-I257 HydrophobicContact CB-CD1 4.32Å; W59-I257 HydrophobicContact CB-CG1 4.48Å; W59-I257 HydrophobicContact CD2-CG1 3.81Å; W59-I257 HydrophobicContact CE3-CG1 4.34Å; W59-I257 HydrophobicContact CG-CD1 4.14Å; W59-I257 HydrophobicContact CG-CG1 3.85Å; W59-I257 HydrophobicContact CZ2-CB 4.45Å; W59-I257 HydrophobicContact CZ2-CG1 4.3Å; L123-I257 HydrophobicContact CD1-CG1 4.32Å; I253-I257 HydrophobicContact CG2-CD1 3.89Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.4Å; I253-I257 PolarHBondContact O-N 2.8Å; K254-I257 PolarHBondContact O-N 2.71Å
258	A	98.6	Very high	98.3	Very high	82 Å²	82	69 Å²	69	68%	0.678	37%	0.371	S	S	*	.	H	α-helix	trans	-69.2	-37.5	-178.5	0	0	0	0	0	113	K254 D255 N260	K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 3.5Å; D255-A258 PolarHBondContact O-N 2.83Å; A258-N260 VanDerWaalsContact C-N 3.31Å; A258-N260 PolarHBondContact O-N 3.41Å
259	A	98.6	Very high	98.3	Very high	74 Å²	74	67.9 Å²	67.9	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-77.2	-14.1	-178.5	0	0	0	0	0	114	D255 T256	D255-A259 VanDerWaalsContact O-CB 3.25Å; D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.48Å; T256-A259 PolarHBondContact O-N 2.98Å
260	N	98.3	Very high	98.3	Very high	57 Å²	57	73.2 Å²	73.2	31%	0.305	40%	0.399	S	S	.	.			trans	-135.5	56.7	-171	-57.1	-86.2	0	0	0	112.4	W59 F96 R125 T256 A258	W59-N260 HydrophobicContact CH2-CB 3.92Å; W59-N260 HydrophobicContact CZ2-CB 4.21Å; W59-N260 WeakPolarHBondContact CZ2-O 3.26Å; F96-N260 HydrophobicContact CE1-CB 4.1Å; F96-N260 VanDerWaalsContact CE1-CG 3.49Å; F96-N260 WeakPolarHBondContact CE1-OD1 3.28Å; F96-N260 HydrophobicContact CZ-CB 3.76Å; R125-N260 VanDerWaalsContact CD-O 3.28Å; R125-N260 WeakPolarHBondContact CD-O 3.38Å; R125-N260 PolarHBondContact NE-O 3.15Å; T256-N260 WeakPolarHBondContact O-CB 3.25Å; T256-N260 PolarHBondContact O-N 3.5Å; T256-N260 PolarHBondContact O-ND2 2.94Å; A258-N260 VanDerWaalsContact C-N 3.31Å; A258-N260 PolarHBondContact O-N 3.41Å
261	P	94.1	Very high	98.2	Very high	111 Å²	111	70.9 Å²	70.9	72%	0.721	40%	0.401	S	S	*	.			trans	-57.1	0	-175.3	28.7	-37	0	0	0	112.6	R125	R125-P261 VanDerWaalsContact CZ-C 3.44Å; R125-P261 PolarHBondContact NE-O 3.16Å; R125-P261 PolarHBondContact NE-OXT 3.37Å; R125-P261 PolarHBondContact NH2-O 3.17Å; R125-P261 PolarHBondContact NH2-OXT 3Å

Retrieved 261 of 261 residues in 653.1 ms (Link to these results)

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