A0A096NFM7_PAPAN Loading...

Uncharacterized protein

AlphaFold DB (H9Z4L1), UniProt , Accession A0A096NFM7, Species PAPAN (Papio anubis, Olive baboon), Gene MTHFD2, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	34.4	Very low	244 Å²	244	139.2 Å²	139.2	100%	1.202	86%	0.86	S	S	*	*				0	128.4	0	-83.4	-170.4	-109	0	0	108.4
2	A	33.9	Very low	34.5	Very low	98 Å²	98	135.3 Å²	135.3	81%	0.81	85%	0.851	S	S	*	*			trans	63	115	170.8	0	0	0	0	0	117.5
3	A	33.6	Very low	34.5	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	86%	0.86	S	S	*	*				59.8	126.6	54.9	0	0	0	0	0	110.9
4	T	37.2	Very low	34.7	Very low	140 Å²	140	146.1 Å²	146.1	86%	0.859	86%	0.861	S	S	*	*			cis	-172.8	150.9	31.8	23.7	0	0	0	0	106.9
5	S	35.3	Very low	34.8	Very low	109 Å²	109	148.1 Å²	148.1	76%	0.762	87%	0.865	S	S	*	*				161	105.1	99.4	179.5	0	0	0	0	107.5
6	F	32.2	Very low	34.9	Very low	180 Å²	180	150.6 Å²	150.6	79%	0.789	87%	0.866	S	S	*	*				39	125.7	94.9	-92.6	-98.6	0	0	0	118.1
7	M	31.2	Very low	34.9	Very low	163 Å²	163	148.5 Å²	148.5	80%	0.803	86%	0.859	S	S	*	*			trans	77.6	93.7	151.2	-63.7	-75.9	157.5	0	0	119.5
8	S	32.9	Very low	34.9	Very low	123 Å²	123	145.9 Å²	145.9	86%	0.86	86%	0.858	S	S	*	*				176.7	95.5	120.2	68.6	0	0	0	0	111.5
9	A	33.5	Very low	35.1	Very low	104 Å²	104	148.1 Å²	148.1	86%	0.86	86%	0.859	S	S	*	*			trans	-151.7	29.6	161.3	0	0	0	0	0	111.8	A11	A9-A11 PolarHBondContact O-N 3.48Å
10	L	35.4	Very low	35.2	Very low	181 Å²	181	146.3 Å²	146.3	95%	0.948	85%	0.854	S	S	*	*			trans	-97.4	52.2	176.6	-149.5	100.1	0	0	0	110.2
11	A	37.7	Very low	35.1	Very low	98 Å²	98	144.8 Å²	144.8	81%	0.81	85%	0.851	S	S	*	*	S	Bend	trans	-165.8	54.2	178.3	0	0	0	0	0	113.1	A9	A9-A11 PolarHBondContact O-N 3.48Å
12	A	36.3	Very low	35.1	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	83%	0.825	S	S	*	*			trans	-166.6	74.3	166.4	0	0	0	0	0	111.7
13	R	33.9	Very low	35.2	Very low	254 Å²	254	140.6 Å²	140.6	96%	0.958	83%	0.826	S	S	*	*			trans	-170	40.9	158.3	-107	164.6	-155.2	-125.9	8.1	112.7
14	L	37.3	Very low	35.3	Very low	168 Å²	168	146.7 Å²	146.7	88%	0.88	83%	0.83	S	S	*	*			trans	-103.6	103.4	159.4	-81.7	163.1	0	0	0	106.2
15	L	37.1	Very low	35.2	Very low	177 Å²	177	145.9 Å²	145.9	93%	0.927	83%	0.827	S	S	*	*			trans	154.3	84.6	158.2	-83.6	153	0	0	0	109
16	Q	36.4	Very low	35.5	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.874	83%	0.831	S	S	*	*			trans	-128.7	143.2	153.4	-81.9	-169.4	-31.5	0	0	108.8
17	P	33.5	Very low	35.8	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	83%	0.829	S	S	*	*			trans	-73.2	142.2	-171	6	7.7	0	0	0	111.2	H19	P17-H19 PolarHBondContact O-N 3.46Å; P17-H19 VanDerWaalsContact O-N 3.13Å
18	A	35.2	Very low	36.2	Very low	102 Å²	102	149.6 Å²	149.6	84%	0.843	83%	0.831	S	S	*	*			trans	-57.2	114.3	175.1	0	0	0	0	0	110.7	S20	A18-S20 PolarHBondContact O-N 3.34Å
19	H	39	Very low	36.7	Very low	188 Å²	188	153 Å²	153	87%	0.87	83%	0.832	S	S	*	*			trans	-65.9	119.4	165.6	-77.8	-62.5	0	0	0	108.9	P17 C21	P17-H19 PolarHBondContact O-N 3.46Å; P17-H19 VanDerWaalsContact O-N 3.13Å; H19-C21 PolarHBondContact O-N 3.46Å
20	S	37.1	Very low	37.2	Very low	111 Å²	111	155.1 Å²	155.1	78%	0.776	83%	0.829	S	S	*	*			trans	-54.2	106.7	173.2	53.7	0	0	0	0	110.4	A18 S22	A18-S20 PolarHBondContact O-N 3.34Å; S20-S22 PolarHBondContact O-N 2.99Å
21	C	33.1	Very low	37.9	Very low	115 Å²	115	150.4 Å²	150.4	78%	0.777	82%	0.816	S	S	*	*			trans	-72	90.4	170.6	-165.4	0	0	0	0	108.3	H19 L23	H19-C21 PolarHBondContact O-N 3.46Å; C21-L23 PolarHBondContact O-N 2.99Å; C21-L23 VanDerWaalsContact O-N 3.09Å
22	S	35.7	Very low	38.5	Very low	94 Å²	94	149.8 Å²	149.8	66%	0.657	81%	0.811	S	S	*	*			trans	-73.3	99.8	169.9	75.3	0	0	0	0	108.1	S20 R24	S20-S22 PolarHBondContact O-N 2.99Å; S22-R24 PolarHBondContact O-N 3.23Å
23	L	36.1	Very low	39.3	Very low	160 Å²	160	150.5 Å²	150.5	84%	0.838	81%	0.805	S	S	*	*			trans	-60.8	101.1	166	-72.2	165.5	0	0	0	107.9	C21 P25	C21-L23 PolarHBondContact O-N 2.99Å; C21-L23 VanDerWaalsContact O-N 3.09Å; L23-P25 WeakPolarHBondContact O-CD 3.25Å
24	R	35.8	Very low	40.6	Very low	219 Å²	219	147 Å²	147	83%	0.826	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.9	165.8	-73	-173.9	-179.8	-171.5	0.4	107.1	S22 R26	S22-R24 PolarHBondContact O-N 3.23Å; R24-R26 PolarHBondContact O-N 2.87Å; R24-R26 VanDerWaalsContact O-N 3.07Å
25	P	34.2	Very low	42.4	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62.4	117.6	172.9	1.7	7.7	0	0	0	107.3	L23	L23-P25 WeakPolarHBondContact O-CD 3.25Å
26	R	42.4	Very low	44.9	Very low	227 Å²	227	142.4 Å²	142.4	86%	0.857	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.4	164.5	-70.5	-176.8	177.5	-171.8	-0.9	106.2	R24 F28	R24-R26 PolarHBondContact O-N 2.87Å; R24-R26 VanDerWaalsContact O-N 3.07Å; R26-F28 PolarHBondContact O-N 3.34Å
27	P	38.8	Very low	47.8	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-59.6	121.5	174.2	24.6	-29.6	0	0	0	106.7	H29	P27-H29 PolarHBondContact O-N 2.63Å
28	F	39.2	Very low	50.9	Low	189 Å²	189	130.5 Å²	130.5	83%	0.829	71%	0.705	S	S	*	*			trans	-53.2	114.3	166	-77.8	-90.4	0	0	0	106.2	R26 L30	R26-F28 PolarHBondContact O-N 3.34Å; F28-L30 PolarHBondContact O-N 3.27Å
29	H	42.1	Very low	53.9	Low	193 Å²	193	128.6 Å²	128.6	89%	0.894	68%	0.682	S	S	*	*			trans	-65.8	82.8	163.7	-97.6	-59.6	0	0	0	106.6	P27 A31	P27-H29 PolarHBondContact O-N 2.63Å; H29-A31 PolarHBondContact O-N 2.89Å
30	L	44.1	Very low	56.7	Low	150 Å²	150	120 Å²	120	79%	0.785	64%	0.643	S	S	*	*			trans	-66.2	88.6	155.3	-83.8	152.3	0	0	0	104.9	F28 A32	F28-L30 PolarHBondContact O-N 3.27Å; L30-A32 PolarHBondContact O-N 3.49Å; L30-A32 VanDerWaalsContact O-N 3.13Å
31	A	50.8	Low	59.6	Low	82 Å²	82	117.5 Å²	117.5	68%	0.678	63%	0.625	S	S	*	*			trans	-51.2	121.7	158.1	0	0	0	0	0	105.6	H29 V33	H29-A31 PolarHBondContact O-N 2.89Å; A31-V33 PolarHBondContact O-N 3.43Å
32	A	50.5	Low	62.8	Low	85 Å²	85	112 Å²	112	70%	0.702	59%	0.588	S	S	*	*			trans	-48	121.7	177.9	0	0	0	0	0	108	L30 R34	L30-A32 PolarHBondContact O-N 3.49Å; L30-A32 VanDerWaalsContact O-N 3.13Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 2.84Å
33	V	53.2	Low	65.7	Low	107 Å²	107	114.9 Å²	114.9	65%	0.648	58%	0.584	S	S	*	*			trans	-58.8	103.3	175.7	179.5	0	0	0	0	106.1	A31	A31-V33 PolarHBondContact O-N 3.43Å
34	R	61.3	Low	68.7	Low	180 Å²	180	113.4 Å²	113.4	68%	0.679	57%	0.571	S	S	*	*			trans	-82.1	125.9	172.8	-73.6	-175.3	173.4	176.3	-1.5	106.3	A32 E36	A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 2.84Å; R34-E36 PolarHBondContact O-N 2.89Å
35	N	74.4	Confident	71.7	Confident	142 Å²	142	103.8 Å²	103.8	76%	0.759	54%	0.536	S	S	*	.	S	Bend	trans	-67.1	-11.2	176.2	-71.2	-10.9	0	0	0	112.8
36	E	90.4	Very high	74.8	Confident	107 Å²	107	98.2 Å²	98.2	50%	0.5	50%	0.501	S	S	.	.	S	Bend	trans	-141.1	147.6	178.8	-67.3	-172.6	-160	0	0	112.5	R34 R299	R34-E36 PolarHBondContact O-N 2.89Å; E36-R299 CarbonylContact C-O 3.59Å; E36-R299 WeakPolarHBondContact CA-O 3.36Å; E36-R299 IonicContact OE2-CZ 2.65Å; E36-R299 IonicContact OE2-NE 3.47Å; E36-R299 IonicContact OE2-NH2 3.42Å; E36-R299 PolarHBondContact OE2-NH2 3.2Å
37	A	96.8	Very high	77.4	Confident	8 Å²	8	93 Å²	93	7%	0.066	49%	0.486	C	S	.	.			trans	-62.3	144.9	177.3	0	0	0	0	0	112.1	V39 R299 A302 I305	A37-V39 PolarHBondContact O-N 3.37Å; A37-R299 HydrophobicContact CB-CB 4.17Å; A37-R299 VanDerWaalsContact CB-O 3.29Å; A37-R299 WeakPolarHBondContact CB-O 3.48Å; A37-R299 PolarHBondContact N-O 3.36Å; A37-A302 WeakPolarHBondContact CA-O 3.5Å; A37-A302 HydrophobicContact CB-CB 4.06Å; A37-A302 WeakPolarHBondContact CB-O 3.42Å; A37-I305 HydrophobicContact CB-CB 4.24Å; A37-I305 HydrophobicContact CB-CG2 3.73Å
38	V	98.3	Very high	80.3	Confident	44 Å²	44	90.3 Å²	90.3	27%	0.267	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	116.2	166.3	179.6	0	0	0	0	109	I40 G303 Y304 I305	V38-I40 PolarHBondContact O-N 2.91Å; V38-G303 PolarHBondContact N-O 3.41Å; V38-Y304 HydrophobicContact CB-CD1 3.66Å; V38-Y304 HydrophobicContact CB-CE1 3.93Å; V38-Y304 HydrophobicContact CG1-CD1 4.1Å; V38-Y304 HydrophobicContact CG1-CE1 4.23Å; V38-Y304 HydrophobicContact CG2-CD1 4.3Å; V38-Y304 HydrophobicContact CG2-CE1 4.12Å; V38-Y304 WeakPolarHBondContact O-CA 3.35Å; V38-I305 PolarHBondContact O-N 3.02Å
39	V	98.4	Very high	83.1	Confident	62 Å²	62	81.4 Å²	81.4	38%	0.376	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	109.5	174.3	-175.4	0	0	0	0	109.3	A37 S41 F295 I305 P307	A37-V39 PolarHBondContact O-N 3.37Å; V39-S41 PolarHBondContact O-N 3.23Å; V39-F295 HydrophobicContact CG1-CE2 4.49Å; V39-F295 HydrophobicContact CG1-CZ 4.07Å; V39-F295 HydrophobicContact CG2-CZ 3.9Å; V39-I305 CarbonylContact C-O 3.14Å; V39-I305 WeakPolarHBondContact CA-O 3.39Å; V39-I305 HydrophobicContact CG2-CG2 4.13Å; V39-P307 HydrophobicContact CG1-CB 4.19Å; V39-P307 HydrophobicContact CG1-CG 3.88Å
40	I	98.6	Very high	85.8	Confident	8 Å²	8	75 Å²	75	4%	0.041	39%	0.394	C	S	.	.			trans	-76.3	115.3	-179.5	-58.7	165.9	0	0	0	109.4	V38 G42 L45 I183 T187 I189 I272 Y304 I305 T306 P307	V38-I40 PolarHBondContact O-N 2.91Å; I40-G42 PolarHBondContact O-N 3.41Å; I40-G42 VanDerWaalsContact O-N 3.15Å; I40-L45 HydrophobicContact CG2-CD1 3.93Å; I40-I183 HydrophobicContact CD1-CG2 3.96Å; I40-I183 HydrophobicContact CG2-CG2 4Å; I40-T187 HydrophobicContact CD1-CG2 4.08Å; I40-T187 HydrophobicContact CG1-CG2 4.18Å; I40-I189 HydrophobicContact CD1-CD1 4.18Å; I40-I272 HydrophobicContact CD1-CD1 4.22Å; I40-Y304 HydrophobicContact CD1-CD1 4.3Å; I40-Y304 HydrophobicContact CD1-CG 4.47Å; I40-Y304 HydrophobicContact CG1-CD1 4.26Å; I40-I305 PolarHBondContact N-O 3.43Å; I40-T306 HydrophobicContact CB-CG2 4.09Å; I40-T306 HydrophobicContact CD1-CG2 4.24Å; I40-P307 WeakPolarHBondContact O-CD 3.2Å
41	S	98.6	Very high	88.4	Confident	57 Å²	57	73.4 Å²	73.4	40%	0.399	38%	0.382	S	S	.	.			trans	-80.7	93.6	174.7	-177.5	0	0	0	0	110.9	V39 R43 K44 L45	V39-S41 PolarHBondContact O-N 3.23Å; S41-R43 PolarHBondContact O-N 3Å; S41-K44 WeakPolarHBondContact O-CB 3.38Å; S41-K44 PolarHBondContact O-N 3.26Å; S41-K44 VanDerWaalsContact O-N 3.09Å; S41-K44 PolarHBondContact OG-N 2.96Å; S41-L45 PolarHBondContact O-N 3.49Å
42	G	98.5	Very high	90.7	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-24.9	172.3	0	0	0	0	0	113	I40 A46 G310 G311	I40-G42 PolarHBondContact O-N 3.41Å; I40-G42 VanDerWaalsContact O-N 3.15Å; G42-A46 WeakPolarHBondContact O-CB 3.48Å; G42-A46 PolarHBondContact O-N 3.12Å; G42-G310 CarbonylContact C-O 3.59Å; G42-G310 WeakPolarHBondContact CA-O 3.23Å; G42-G310 PolarHBondContact N-O 3Å; G42-G311 WeakPolarHBondContact CA-O 3.45Å
43	R	98.3	Very high	93	Very high	154 Å²	154	69.1 Å²	69.1	58%	0.581	33%	0.334	S	S	*	.	H	α-helix	trans	-60.5	-43.7	168.9	-70	-176.1	-172.8	152.1	3.8	112.4	S41 Q47 G310 P314	S41-R43 PolarHBondContact O-N 3Å; R43-Q47 PolarHBondContact O-N 2.71Å; R43-G310 PolarHBondContact N-O 2.9Å; R43-P314 HydrophobicContact CG-CB 4.35Å; R43-P314 HydrophobicContact CG-CG 3.76Å
44	K	98.6	Very high	95.2	Very high	129 Å²	129	70 Å²	70	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-65.9	-50.4	179.4	-175.7	-173.7	172.5	-167.8	0	110.4	S41 A46 Q47 E48	S41-K44 WeakPolarHBondContact O-CB 3.38Å; S41-K44 PolarHBondContact O-N 3.26Å; S41-K44 VanDerWaalsContact O-N 3.09Å; S41-K44 PolarHBondContact OG-N 2.96Å; K44-A46 VanDerWaalsContact C-N 3.31Å; K44-A46 PolarHBondContact O-N 2.87Å; K44-Q47 WeakPolarHBondContact O-CB 3.28Å; K44-Q47 PolarHBondContact O-N 2.95Å; K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.13Å; K44-E48 PolarHBondContact O-N 2.68Å; K44-E48 VanDerWaalsContact O-N 3.08Å
45	L	98.6	Very high	96.9	Very high	18 Å²	18	66.7 Å²	66.7	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-40.8	178	-65.5	178	0	0	0	112	I40 S41 Q47 E48 I49 I183 R186 M315	I40-L45 HydrophobicContact CG2-CD1 3.93Å; S41-L45 PolarHBondContact O-N 3.49Å; L45-Q47 VanDerWaalsContact C-N 3.29Å; L45-Q47 PolarHBondContact O-N 3.01Å; L45-E48 PolarHBondContact O-N 2.69Å; L45-I49 WeakPolarHBondContact O-CG1 3.5Å; L45-I49 PolarHBondContact O-N 3.22Å; L45-I183 HydrophobicContact CD1-CB 4.5Å; L45-I183 HydrophobicContact CD1-CG1 4.05Å; L45-R186 HydrophobicContact CD2-CB 3.89Å; L45-M315 HydrophobicContact CB-CE 4.09Å; L45-M315 HydrophobicContact CB-SD 3.47Å; L45-M315 WeakPolarHBondContact CB-SD 3.37Å
46	A	98.6	Very high	98.1	Very high	6 Å²	6	61.7 Å²	61.7	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-35.1	175.6	0	0	0	0	0	112.1	G42 K44 K50 P314 M315 A318	G42-A46 WeakPolarHBondContact O-CB 3.48Å; G42-A46 PolarHBondContact O-N 3.12Å; K44-A46 VanDerWaalsContact C-N 3.31Å; K44-A46 PolarHBondContact O-N 2.87Å; A46-K50 WeakPolarHBondContact O-CB 3.34Å; A46-K50 VanDerWaalsContact O-CG 3.3Å; A46-K50 WeakPolarHBondContact O-CG 3.31Å; A46-K50 PolarHBondContact O-N 3.04Å; A46-P314 HydrophobicContact CB-CB 3.79Å; A46-P314 WeakPolarHBondContact CB-O 3.43Å; A46-M315 HydrophobicContact CB-SD 4.01Å; A46-M315 PolarHBondContact N-SD 3.13Å; A46-M315 VanDerWaalsContact N-SD 3.38Å; A46-A318 HydrophobicContact CB-CB 3.94Å
47	Q	98.6	Very high	98.4	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-41.8	175.9	-174.5	173.5	-3.8	0	0	111.8	R43 K44 L45 K50 Q51	R43-Q47 PolarHBondContact O-N 2.71Å; K44-Q47 WeakPolarHBondContact O-CB 3.28Å; K44-Q47 PolarHBondContact O-N 2.95Å; L45-Q47 VanDerWaalsContact C-N 3.29Å; L45-Q47 PolarHBondContact O-N 3.01Å; Q47-K50 PolarHBondContact O-N 3.32Å; Q47-Q51 WeakPolarHBondContact O-CG 3.44Å; Q47-Q51 PolarHBondContact O-N 3.12Å
48	E	98.6	Very high	98.5	Very high	60 Å²	60	60.9 Å²	60.9	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-49.3	174.1	-66.7	166	-170.8	0	0	110.6	K44 L45 K50 Q51 E52	K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.13Å; K44-E48 PolarHBondContact O-N 2.68Å; K44-E48 VanDerWaalsContact O-N 3.08Å; L45-E48 PolarHBondContact O-N 2.69Å; E48-K50 PolarHBondContact O-N 3.41Å; E48-Q51 WeakPolarHBondContact O-CB 3.5Å; E48-Q51 PolarHBondContact O-N 3.01Å; E48-Q51 VanDerWaalsContact O-N 3.13Å; E48-E52 WeakPolarHBondContact O-CG 3.49Å; E48-E52 PolarHBondContact O-N 3.13Å
49	I	98.6	Very high	98.5	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-42.5	177.1	-68.4	159.3	0	0	0	111.6	L45 Q51 E52 V53 E182 R186 M315 A318 M319	L45-I49 WeakPolarHBondContact O-CG1 3.5Å; L45-I49 PolarHBondContact O-N 3.22Å; I49-Q51 VanDerWaalsContact C-N 3.28Å; I49-Q51 PolarHBondContact O-N 3.27Å; I49-E52 WeakPolarHBondContact O-CB 3.49Å; I49-E52 PolarHBondContact O-N 3.38Å; I49-V53 HydrophobicContact CG2-CG2 4.25Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.19Å; I49-V53 PolarHBondContact O-N 2.98Å; I49-E182 HydrophobicContact CD1-CB 4.5Å; I49-R186 VanDerWaalsContact CG1-CZ 3.42Å; I49-M315 HydrophobicContact CD1-CE 3.31Å; I49-M315 HydrophobicContact CD1-SD 4.06Å; I49-A318 HydrophobicContact CB-CB 4.09Å; I49-A318 HydrophobicContact CG2-CB 3.84Å; I49-M319 HydrophobicContact CD1-SD 3.77Å; I49-M319 HydrophobicContact CG2-SD 4.2Å
50	K	98.6	Very high	98.5	Very high	58 Å²	58	63.8 Å²	63.8	25%	0.252	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-34.7	177	-77.2	-163.9	-54.4	170.3	0	112.2	A46 Q47 E48 R54 A91 D94 V95 A318	A46-K50 WeakPolarHBondContact O-CB 3.34Å; A46-K50 VanDerWaalsContact O-CG 3.3Å; A46-K50 WeakPolarHBondContact O-CG 3.31Å; A46-K50 PolarHBondContact O-N 3.04Å; Q47-K50 PolarHBondContact O-N 3.32Å; E48-K50 PolarHBondContact O-N 3.41Å; K50-R54 VanDerWaalsContact O-CB 3.28Å; K50-R54 WeakPolarHBondContact O-CB 3.47Å; K50-R54 PolarHBondContact O-N 3.4Å; K50-A91 HydrophobicContact CD-CB 4.18Å; K50-D94 IonicContact NZ-OD2 3.68Å; K50-D94 PolarHBondContact NZ-OD2 2.93Å; K50-V95 HydrophobicContact CB-CG1 3.72Å; K50-V95 HydrophobicContact CD-CG1 4.2Å; K50-V95 HydrophobicContact CG-CG1 3.93Å; K50-V95 VanDerWaalsContact O-CG1 3.31Å; K50-V95 WeakPolarHBondContact O-CG1 3.33Å; K50-A318 HydrophobicContact CG-CB 4.32Å
51	Q	98.7	Very high	98.5	Very high	118 Å²	118	65.3 Å²	65.3	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-66.7	-45.2	174.4	-73.4	173	-15.8	0	0	111.4	Q47 E48 I49 V53 R54 Q55	Q47-Q51 WeakPolarHBondContact O-CG 3.44Å; Q47-Q51 PolarHBondContact O-N 3.12Å; E48-Q51 WeakPolarHBondContact O-CB 3.5Å; E48-Q51 PolarHBondContact O-N 3.01Å; E48-Q51 VanDerWaalsContact O-N 3.13Å; I49-Q51 VanDerWaalsContact C-N 3.28Å; I49-Q51 PolarHBondContact O-N 3.27Å; Q51-V53 PolarHBondContact O-N 3.28Å; Q51-R54 PolarHBondContact O-N 3.48Å; Q51-Q55 PolarHBondContact O-N 3.22Å
52	E	98.6	Very high	98.4	Very high	76 Å²	76	66.8 Å²	66.8	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-47.3	174.3	-66.8	163.9	-160.2	0	0	111.3	E48 I49 R54 Q55 E56 R186	E48-E52 WeakPolarHBondContact O-CG 3.49Å; E48-E52 PolarHBondContact O-N 3.13Å; I49-E52 WeakPolarHBondContact O-CB 3.49Å; I49-E52 PolarHBondContact O-N 3.38Å; E52-R54 PolarHBondContact O-N 3.49Å; E52-Q55 PolarHBondContact O-N 3.22Å; E52-E56 WeakPolarHBondContact O-CB 3.33Å; E52-E56 PolarHBondContact O-N 2.9Å; E52-R186 IonicContact OE1-CZ 3.05Å; E52-R186 IonicContact OE1-NH1 3.49Å; E52-R186 PolarHBondContact OE1-NH1 2.8Å; E52-R186 IonicContact OE1-NH2 3.77Å; E52-R186 PolarHBondContact OE1-NH2 3.47Å; E52-R186 IonicContact OE2-CZ 3.99Å; E52-R186 IonicContact OE2-NH1 3.74Å; E52-R186 IonicContact OE2-NH2 2.86Å; E52-R186 PolarHBondContact OE2-NH2 2.93Å
53	V	98.7	Very high	98.4	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-42.6	177.8	173.1	0	0	0	0	111.3	I49 Q51 Q55 E56 V57 V95 I97 M321 K322 I325	I49-V53 HydrophobicContact CG2-CG2 4.25Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.19Å; I49-V53 PolarHBondContact O-N 2.98Å; Q51-V53 PolarHBondContact O-N 3.28Å; V53-Q55 PolarHBondContact O-N 3.27Å; V53-E56 WeakPolarHBondContact O-CB 3.49Å; V53-E56 PolarHBondContact O-N 3.05Å; V53-V57 HydrophobicContact CG1-CG2 4.16Å; V53-V57 WeakPolarHBondContact O-CB 3.37Å; V53-V57 VanDerWaalsContact O-CG2 3.23Å; V53-V57 WeakPolarHBondContact O-CG2 3.39Å; V53-V57 PolarHBondContact O-N 3.11Å; V53-V95 HydrophobicContact CG1-CB 4.05Å; V53-V95 HydrophobicContact CG1-CG1 4.46Å; V53-V95 HydrophobicContact CG1-CG2 3.92Å; V53-I97 HydrophobicContact CG1-CD1 4.34Å; V53-M321 HydrophobicContact CG1-CB 4.13Å; V53-K322 HydrophobicContact CG2-CB 4.05Å; V53-K322 HydrophobicContact CG2-CD 3.6Å; V53-K322 HydrophobicContact CG2-CG 4.43Å; V53-I325 HydrophobicContact CG1-CG2 4.14Å
54	R	98.8	Very high	98.3	Very high	125 Å²	125	66.6 Å²	66.6	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-48.1	178.3	-179.7	177.9	175.5	145.4	-6	111.4	K50 Q51 E52 E56 V57 E58 D94 V95	K50-R54 VanDerWaalsContact O-CB 3.28Å; K50-R54 WeakPolarHBondContact O-CB 3.47Å; K50-R54 PolarHBondContact O-N 3.4Å; Q51-R54 PolarHBondContact O-N 3.48Å; E52-R54 PolarHBondContact O-N 3.49Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 2.91Å; R54-V57 PolarHBondContact O-N 2.9Å; R54-E58 HydrophobicContact CG-CG 4.46Å; R54-E58 WeakPolarHBondContact CG-OE1 3.38Å; R54-E58 IonicContact CZ-OE1 3.4Å; R54-E58 IonicContact NE-OE1 2.62Å; R54-E58 PolarHBondContact NE-OE1 3.44Å; R54-E58 IonicContact NH2-OE1 3.49Å; R54-E58 PolarHBondContact NH2-OE1 3.49Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.87Å; R54-D94 PolarHBondContact NH1-O 3.42Å; R54-V95 HydrophobicContact CB-CB 4.13Å; R54-V95 HydrophobicContact CB-CG1 4.45Å
55	Q	98.6	Very high	98.2	Very high	112 Å²	112	63.5 Å²	63.5	52%	0.523	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-46.3	176.3	-178.7	-178.3	-2.4	0	0	110.5	Q51 E52 V53 V57 E58 E59	Q51-Q55 PolarHBondContact O-N 3.22Å; E52-Q55 PolarHBondContact O-N 3.22Å; V53-Q55 PolarHBondContact O-N 3.27Å; Q55-V57 VanDerWaalsContact C-N 3.31Å; Q55-V57 PolarHBondContact O-N 2.8Å; Q55-E58 PolarHBondContact O-N 3Å; Q55-E59 HydrophobicContact CG-CG 4.49Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.37Å; Q55-E59 PolarHBondContact NE2-OE1 2.85Å; Q55-E59 WeakPolarHBondContact O-CG 3.44Å; Q55-E59 PolarHBondContact O-N 3Å
56	E	98.2	Very high	98.2	Very high	37 Å²	37	67 Å²	67	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-37	179.7	-169.2	175.6	-176.6	0	0	113	E52 V53 R54 W60 K322 I325 K329	E52-E56 WeakPolarHBondContact O-CB 3.33Å; E52-E56 PolarHBondContact O-N 2.9Å; V53-E56 WeakPolarHBondContact O-CB 3.49Å; V53-E56 PolarHBondContact O-N 3.05Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 2.91Å; E56-W60 VanDerWaalsContact O-CB 3.23Å; E56-W60 WeakPolarHBondContact O-CB 3.42Å; E56-W60 PolarHBondContact O-N 3.42Å; E56-K322 IonicContact OE2-NZ 3.55Å; E56-K322 PolarHBondContact OE2-NZ 2.68Å; E56-I325 HydrophobicContact CG-CG1 3.94Å; E56-K329 VanDerWaalsContact CD-NZ 3.34Å; E56-K329 WeakPolarHBondContact OE1-CE 3.44Å; E56-K329 IonicContact OE1-NZ 3.61Å; E56-K329 PolarHBondContact OE1-NZ 3.15Å
57	V	98.6	Very high	98.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-69.5	-43.1	174.4	170.6	0	0	0	0	111.3	V53 R54 Q55 W60 V61 P68 G96 I97 I325	V53-V57 HydrophobicContact CG1-CG2 4.16Å; V53-V57 WeakPolarHBondContact O-CB 3.37Å; V53-V57 VanDerWaalsContact O-CG2 3.23Å; V53-V57 WeakPolarHBondContact O-CG2 3.39Å; V53-V57 PolarHBondContact O-N 3.11Å; R54-V57 PolarHBondContact O-N 2.9Å; Q55-V57 VanDerWaalsContact C-N 3.31Å; Q55-V57 PolarHBondContact O-N 2.8Å; V57-W60 PolarHBondContact O-N 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 3Å; V57-P68 HydrophobicContact CG2-CG 4.37Å; V57-G96 WeakPolarHBondContact CG1-O 3.23Å; V57-I97 HydrophobicContact CG2-CD1 4.36Å; V57-I97 HydrophobicContact CG2-CG1 3.96Å; V57-I325 HydrophobicContact CG2-CB 4.32Å; V57-I325 HydrophobicContact CG2-CD1 4Å; V57-I325 HydrophobicContact CG2-CG1 4.22Å
58	E	98.3	Very high	98.1	Very high	98 Å²	98	65.2 Å²	65.2	46%	0.458	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-45.5	178	-74.3	174.6	-175	0	0	111	R54 Q55 V61 A62	R54-E58 HydrophobicContact CG-CG 4.46Å; R54-E58 WeakPolarHBondContact CG-OE1 3.38Å; R54-E58 IonicContact CZ-OE1 3.4Å; R54-E58 IonicContact NE-OE1 2.62Å; R54-E58 PolarHBondContact NE-OE1 3.44Å; R54-E58 IonicContact NH2-OE1 3.49Å; R54-E58 PolarHBondContact NH2-OE1 3.49Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 2.87Å; Q55-E58 PolarHBondContact O-N 3Å; E58-V61 PolarHBondContact O-N 2.81Å; E58-A62 VanDerWaalsContact O-CB 3.25Å; E58-A62 WeakPolarHBondContact O-CB 3.06Å; E58-A62 PolarHBondContact O-N 3.44Å
59	E	98.3	Very high	98.2	Very high	112 Å²	112	63.4 Å²	63.4	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-43.7	174.7	-71.7	172.5	-172	0	0	112	Q55 V61 A62 S63	Q55-E59 HydrophobicContact CG-CG 4.49Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.37Å; Q55-E59 PolarHBondContact NE2-OE1 2.85Å; Q55-E59 WeakPolarHBondContact O-CG 3.44Å; Q55-E59 PolarHBondContact O-N 3Å; E59-V61 PolarHBondContact O-N 2.7Å; E59-A62 PolarHBondContact O-N 2.9Å; E59-S63 PolarHBondContact O-N 3.33Å; E59-S63 PolarHBondContact O-OG 2.91Å
60	W	97.7	Very high	98.2	Very high	54 Å²	54	63.3 Å²	63.3	21%	0.205	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-47.5	176.8	177.1	-107.4	0	0	0	112.1	E56 V57 S63 N65 K66 I325 K329	E56-W60 VanDerWaalsContact O-CB 3.23Å; E56-W60 WeakPolarHBondContact O-CB 3.42Å; E56-W60 PolarHBondContact O-N 3.42Å; V57-W60 PolarHBondContact O-N 3.28Å; W60-S63 PolarHBondContact O-N 2.92Å; W60-S63 PolarHBondContact O-OG 2.81Å; W60-N65 HydrophobicContact CD2-CB 3.63Å; W60-N65 HydrophobicContact CE3-CB 4.19Å; W60-N65 HydrophobicContact CG-CB 4.09Å; W60-N65 HydrophobicContact CH2-CB 4.04Å; W60-N65 VanDerWaalsContact CH2-CG 3.48Å; W60-N65 HydrophobicContact CZ2-CB 3.45Å; W60-N65 VanDerWaalsContact CZ2-CB 3.45Å; W60-N65 VanDerWaalsContact CZ2-CG 3.42Å; W60-N65 HydrophobicContact CZ3-CB 4.37Å; W60-N65 WeakPolarHBondContact CZ3-ND2 3.49Å; W60-N65 VanDerWaalsContact NE1-CB 3.35Å; W60-N65 WeakPolarHBondContact O-CB 3.41Å; W60-N65 PolarHBondContact O-N 3.01Å; W60-K66 PolarHBondContact NE1-O 3.46Å; W60-I325 HydrophobicContact CB-CD1 4.26Å; W60-I325 HydrophobicContact CG-CD1 4.21Å; W60-K329 HydrophobicContact CD2-CG 3.97Å; W60-K329 HydrophobicContact CE3-CD 4.35Å; W60-K329 HydrophobicContact CE3-CG 3.76Å; W60-K329 HydrophobicContact CH2-CB 4.39Å; W60-K329 HydrophobicContact CH2-CG 4.13Å; W60-K329 HydrophobicContact CZ2-CG 4.33Å; W60-K329 HydrophobicContact CZ3-CB 4.42Å; W60-K329 HydrophobicContact CZ3-CG 3.84Å
61	V	98	Very high	98.2	Very high	41 Å²	41	60.6 Å²	60.6	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-40.3	178.1	173.9	0	0	0	0	111.5	V57 E58 E59 S63 G64 R67	V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 3Å; E58-V61 PolarHBondContact O-N 2.81Å; E59-V61 PolarHBondContact O-N 2.7Å; V61-S63 PolarHBondContact O-N 3.31Å; V61-G64 PolarHBondContact O-N 2.86Å; V61-R67 HydrophobicContact CG2-CB 3.94Å; V61-R67 HydrophobicContact CG2-CG 4.31Å
62	A	97.8	Very high	98.1	Very high	88 Å²	88	55 Å²	55	73%	0.727	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-29.1	177.1	0	0	0	0	0	112.7	E58 E59 G64	E58-A62 VanDerWaalsContact O-CB 3.25Å; E58-A62 WeakPolarHBondContact O-CB 3.06Å; E58-A62 PolarHBondContact O-N 3.44Å; E59-A62 PolarHBondContact O-N 2.9Å; A62-G64 PolarHBondContact O-N 3.45Å
63	S	97	Very high	98.1	Very high	79 Å²	79	51.3 Å²	51.3	55%	0.552	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	6	173.3	70.8	0	0	0	0	114.7	E59 W60 V61 N65	E59-S63 PolarHBondContact O-N 3.33Å; E59-S63 PolarHBondContact O-OG 2.91Å; W60-S63 PolarHBondContact O-N 2.92Å; W60-S63 PolarHBondContact O-OG 2.81Å; V61-S63 PolarHBondContact O-N 3.31Å; S63-N65 PolarHBondContact OG-ND2 3.42Å
64	G	97	Very high	98.1	Very high	71 Å²	71	51.5 Å²	51.5	73%	0.732	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	3.9	175.8	0	0	0	0	0	114.7	V61 A62	V61-G64 PolarHBondContact O-N 2.86Å; A62-G64 PolarHBondContact O-N 3.45Å
65	N	97.4	Very high	98.1	Very high	64 Å²	64	45.9 Å²	45.9	34%	0.342	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-82.4	155.7	177.5	-66	-75.2	0	0	0	112.2	W60 S63	W60-N65 HydrophobicContact CD2-CB 3.63Å; W60-N65 HydrophobicContact CE3-CB 4.19Å; W60-N65 HydrophobicContact CG-CB 4.09Å; W60-N65 HydrophobicContact CH2-CB 4.04Å; W60-N65 VanDerWaalsContact CH2-CG 3.48Å; W60-N65 HydrophobicContact CZ2-CB 3.45Å; W60-N65 VanDerWaalsContact CZ2-CB 3.45Å; W60-N65 VanDerWaalsContact CZ2-CG 3.42Å; W60-N65 HydrophobicContact CZ3-CB 4.37Å; W60-N65 WeakPolarHBondContact CZ3-ND2 3.49Å; W60-N65 VanDerWaalsContact NE1-CB 3.35Å; W60-N65 WeakPolarHBondContact O-CB 3.41Å; W60-N65 PolarHBondContact O-N 3.01Å; S63-N65 PolarHBondContact OG-ND2 3.42Å
66	K	97.1	Very high	97.9	Very high	90 Å²	90	40.8 Å²	40.8	39%	0.391	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-63.5	140.9	175.5	-159.8	-156.1	78.8	-174.6	0	110.3	W60 N125 D127	W60-K66 PolarHBondContact NE1-O 3.46Å; K66-N125 VanDerWaalsContact CD-OD1 3.31Å; K66-N125 WeakPolarHBondContact CD-OD1 3.49Å; K66-N125 WeakPolarHBondContact CE-OD1 3.39Å; K66-N125 VanDerWaalsContact NZ-CA 3.26Å; K66-N125 PolarHBondContact NZ-O 3.27Å; K66-N125 PolarHBondContact NZ-OD1 2.92Å; K66-D127 IonicContact NZ-OD1 3.55Å; K66-D127 IonicContact NZ-OD2 2.73Å; K66-D127 PolarHBondContact NZ-OD2 2.53Å
67	R	98.2	Very high	97.6	Very high	86 Å²	86	45.6 Å²	45.6	33%	0.325	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-58.7	134.1	172	-175.1	175.6	-65.6	-72.3	-0.7	110.1	V61 G96 N98	V61-R67 HydrophobicContact CG2-CB 3.94Å; V61-R67 HydrophobicContact CG2-CG 4.31Å; R67-G96 WeakPolarHBondContact CD-O 3.45Å; R67-G96 WeakPolarHBondContact CG-O 3.3Å; R67-G96 PolarHBondContact NH1-O 3.33Å; R67-N98 WeakPolarHBondContact CD-OD1 3.47Å
68	P	98.6	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.4	145.8	177.3	-23.2	32.9	0	0	0	112.1	V57 I97 N98 D127 T324 I325 A328	V57-P68 HydrophobicContact CG2-CG 4.37Å; P68-I97 HydrophobicContact CB-CG1 4.15Å; P68-I97 HydrophobicContact CB-CG2 4.38Å; P68-I97 HydrophobicContact CG-CG1 4.46Å; P68-N98 PolarHBondContact O-N 3.16Å; P68-D127 WeakPolarHBondContact CA-OD2 3.18Å; P68-T324 HydrophobicContact CB-CG2 4.38Å; P68-I325 HydrophobicContact CG-CD1 3.68Å; P68-A328 HydrophobicContact CB-CB 3.69Å; P68-A328 HydrophobicContact CG-CB 3.75Å
69	H	98.7	Very high	96.5	Very high	21 Å²	21	48.3 Å²	48.3	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.8	179.2	-171.7	99.4	0	0	0	112	S71 N98 E100 N125 D127 G128	H69-S71 PolarHBondContact CD2-OG 2.96Å; H69-S71 PolarHBondContact NE2-OG 3.27Å; H69-N98 CarbonylContact C-O 3.48Å; H69-N98 WeakPolarHBondContact CA-O 3.35Å; H69-N98 HydrophobicContact CB-CB 4.3Å; H69-N98 WeakPolarHBondContact ND1-CB 3.41Å; H69-E100 IonicContact CD2-OE1 2.69Å; H69-E100 IonicContact CE1-OE1 2.68Å; H69-E100 IonicContact NE2-OE1 2.84Å; H69-E100 PolarHBondContact NE2-OE1 3.26Å; H69-N125 WeakPolarHBondContact CB-O 3.5Å; H69-D127 PolarHBondContact N-OD2 2.9Å; H69-D127 PolarHBondContact O-N 3.18Å; H69-G128 PolarHBondContact O-N 3.47Å
70	L	98.8	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.2	179.9	-177.8	61.9	0	0	0	111.1	V72 I97 N98 S99 E100 G128 L130 V154 L320 M321 T324	L70-V72 HydrophobicContact CD2-CG2 4.32Å; L70-V72 HydrophobicContact CG-CG2 4.1Å; L70-I97 HydrophobicContact CB-CG2 4.08Å; L70-N98 PolarHBondContact N-O 2.88Å; L70-S99 CarbonylContact O-C 3.29Å; L70-S99 WeakPolarHBondContact O-CA 3.38Å; L70-E100 PolarHBondContact O-N 3.12Å; L70-G128 WeakPolarHBondContact CA-O 3.04Å; L70-L130 HydrophobicContact CD1-CD2 4.02Å; L70-L130 HydrophobicContact CD2-CD2 4.32Å; L70-L130 HydrophobicContact CG-CD2 4.4Å; L70-V154 HydrophobicContact CD1-CG2 3.81Å; L70-L320 HydrophobicContact CD2-CD2 4.34Å; L70-M321 HydrophobicContact CD2-CE 3.75Å; L70-T324 HydrophobicContact CB-CG2 4.14Å; L70-T324 HydrophobicContact CD1-CG2 4.34Å
71	S	98.6	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.7	172.6	-54.1	0	0	0	0	110.4	H69 E100 V126 G128 L130	H69-S71 PolarHBondContact CD2-OG 2.96Å; H69-S71 PolarHBondContact NE2-OG 3.27Å; S71-E100 PolarHBondContact OG-OE1 3.2Å; S71-V126 WeakPolarHBondContact OG-CG1 3.32Å; S71-V126 WeakPolarHBondContact OG-CG2 3.48Å; S71-G128 PolarHBondContact N-O 3.19Å; S71-L130 PolarHBondContact O-N 3.35Å
72	V	98.4	Very high	95.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.4	179.7	-175.2	0	0	0	0	110.2	L70 V85 E100 T101 I102 L130	L70-V72 HydrophobicContact CD2-CG2 4.32Å; L70-V72 HydrophobicContact CG-CG2 4.1Å; V72-V85 HydrophobicContact CB-CG1 4.38Å; V72-V85 HydrophobicContact CG1-CB 4.43Å; V72-V85 HydrophobicContact CG1-CG1 3.79Å; V72-V85 HydrophobicContact CG1-CG2 3.85Å; V72-E100 PolarHBondContact N-O 3.05Å; V72-T101 CarbonylContact O-C 3.6Å; V72-T101 WeakPolarHBondContact O-CA 3.35Å; V72-I102 PolarHBondContact O-N 2.82Å; V72-L130 WeakPolarHBondContact CA-O 3.27Å; V72-L130 HydrophobicContact CB-CD1 4.47Å; V72-L130 HydrophobicContact CB-CD2 4.44Å; V72-L130 HydrophobicContact CB-CG 4.18Å; V72-L130 HydrophobicContact CG1-CD1 3.61Å; V72-L130 HydrophobicContact CG1-CD2 4.32Å; V72-L130 HydrophobicContact CG1-CG 3.87Å; V72-L130 HydrophobicContact CG2-CD1 4.45Å; V72-L130 HydrophobicContact CG2-CD2 3.62Å; V72-L130 HydrophobicContact CG2-CG 3.88Å
73	I	98.5	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.9	172.2	-58.4	169.6	0	0	0	109	V75 I102 L113 L116 I117 L120 L129 L130 V131 Q132	I73-V75 HydrophobicContact CG2-CG2 4.15Å; I73-I102 WeakPolarHBondContact CA-O 3.17Å; I73-I102 HydrophobicContact CG1-CB 4.5Å; I73-L113 HydrophobicContact CD1-CD1 4.27Å; I73-L113 HydrophobicContact CG2-CD1 3.78Å; I73-L116 HydrophobicContact CD1-CD2 3.79Å; I73-L116 HydrophobicContact CD1-CG 3.98Å; I73-L116 HydrophobicContact CG1-CD2 4.03Å; I73-L116 HydrophobicContact CG2-CD2 4.23Å; I73-I117 HydrophobicContact CD1-CG1 3.78Å; I73-L120 HydrophobicContact CD1-CD1 3.8Å; I73-L120 HydrophobicContact CG1-CD1 4.1Å; I73-L129 HydrophobicContact CD1-CD1 4.14Å; I73-L129 HydrophobicContact CG1-CD1 4.38Å; I73-L130 PolarHBondContact N-O 3.31Å; I73-V131 HydrophobicContact CB-CG1 4.43Å; I73-V131 HydrophobicContact CB-CG2 4.34Å; I73-V131 HydrophobicContact CD1-CG2 4.09Å; I73-Q132 WeakPolarHBondContact O-CB 3.26Å; I73-Q132 PolarHBondContact O-N 3.29Å
74	L	98	Very high	94.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.6	175.1	176.3	61.5	0	0	0	109.4	V85 T101 I102 V103 K104 Q132	L74-V85 HydrophobicContact CB-CG2 4.5Å; L74-V85 HydrophobicContact CD1-CG2 4.24Å; L74-V85 HydrophobicContact CD2-CG2 4.44Å; L74-T101 HydrophobicContact CB-CG2 4.34Å; L74-I102 PolarHBondContact N-O 2.75Å; L74-V103 CarbonylContact O-C 3.55Å; L74-V103 WeakPolarHBondContact O-CA 3.45Å; L74-K104 PolarHBondContact O-N 3.27Å; L74-Q132 HydrophobicContact CD1-CB 4.12Å; L74-Q132 HydrophobicContact CD1-CG 4.03Å
75	V	98.1	Very high	94.2	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124	178.8	-176.3	0	0	0	0	110.1	I73 K104 I108 L113 L135 P136	I73-V75 HydrophobicContact CG2-CG2 4.15Å; V75-K104 WeakPolarHBondContact CA-O 3.37Å; V75-K104 HydrophobicContact CG2-CB 4.39Å; V75-I108 HydrophobicContact CG1-CG2 3.57Å; V75-I108 HydrophobicContact CG2-CG2 4.26Å; V75-L113 HydrophobicContact CG2-CD1 4.36Å; V75-L113 HydrophobicContact CG2-CD2 4.33Å; V75-L135 HydrophobicContact CB-CD2 3.82Å; V75-L135 HydrophobicContact CG2-CD2 3.74Å; V75-P136 HydrophobicContact CG1-CG 3.69Å
76	G	95.1	Very high	94.1	Very high	5 Å²	5	39 Å²	39	5%	0.052	20%	0.199	C	C	.	.	S	Bend	trans	80.6	-172.8	178.8	0	0	0	0	0	114.5	H82 K104	G76-H82 PolarHBondContact O-NE2 3.4Å; G76-K104 PolarHBondContact N-O 3.02Å
77	E	90.5	Very high	94	Very high	138 Å²	138	37.9 Å²	37.9	65%	0.645	20%	0.197	S	C	*	.			trans	-112.5	22	-164.5	-60.6	-61.5	144.6	0	0	113.4	P79 H82	E77-P79 WeakPolarHBondContact O-CD 3.44Å; E77-P79 VanDerWaalsContact O-N 3.11Å; E77-H82 WeakPolarHBondContact CA-NE2 3.34Å; E77-H82 IonicContact OE2-CE1 3.29Å; E77-H82 IonicContact OE2-NE2 2.82Å
78	N	88.4	Confident	93.8	Very high	66 Å²	66	34.4 Å²	34.4	35%	0.353	19%	0.185	S	C	.	.			trans	-63.8	115	-176.2	-177.7	-28.4	0	0	0	110.6	A80 S81 H82	N78-A80 PolarHBondContact O-N 3.34Å; N78-A80 VanDerWaalsContact O-N 3.08Å; N78-A80 WeakPolarHBondContact OD1-CB 3.45Å; N78-A80 PolarHBondContact OD1-N 3.08Å; N78-S81 WeakPolarHBondContact O-CA 3.46Å; N78-S81 WeakPolarHBondContact O-CB 3.35Å; N78-S81 PolarHBondContact O-N 2.95Å; N78-H82 PolarHBondContact O-CD2 3.08Å; N78-H82 VanDerWaalsContact O-CD2 3.29Å; N78-H82 PolarHBondContact O-N 3.37Å; N78-H82 VanDerWaalsContact O-N 3.08Å
79	P	87.1	Confident	93.7	Very high	89 Å²	89	35.4 Å²	35.4	58%	0.578	19%	0.191	S	C	*	.	H	α-helix	trans	-60.9	-28.2	-173.8	-24.8	34.9	0	0	0	113.9	E77 S83	E77-P79 WeakPolarHBondContact O-CD 3.44Å; E77-P79 VanDerWaalsContact O-N 3.11Å; P79-S83 PolarHBondContact O-N 3.03Å
80	A	85.6	Confident	93.6	Very high	21 Å²	21	41.3 Å²	41.3	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-48.9	173.3	0	0	0	0	0	110.9	N78 H82 S83 Y84 R278	N78-A80 PolarHBondContact O-N 3.34Å; N78-A80 VanDerWaalsContact O-N 3.08Å; N78-A80 WeakPolarHBondContact OD1-CB 3.45Å; N78-A80 PolarHBondContact OD1-N 3.08Å; A80-H82 PolarHBondContact O-N 3.28Å; A80-S83 PolarHBondContact O-N 2.91Å; A80-Y84 WeakPolarHBondContact O-CD2 3.28Å; A80-Y84 PolarHBondContact O-N 3.1Å; A80-R278 VanDerWaalsContact CA-NH2 3.29Å; A80-R278 VanDerWaalsContact CB-NH2 3.33Å
81	S	89.1	Confident	93.6	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-43.6	179.2	-57.1	0	0	0	0	111.5	N78 S83 Y84 V85	N78-S81 WeakPolarHBondContact O-CA 3.46Å; N78-S81 WeakPolarHBondContact O-CB 3.35Å; N78-S81 PolarHBondContact O-N 2.95Å; S81-S83 PolarHBondContact O-N 3.32Å; S81-Y84 PolarHBondContact O-N 3.31Å; S81-V85 WeakPolarHBondContact O-CG2 3.5Å; S81-V85 PolarHBondContact O-N 3.17Å
82	H	90.9	Very high	93.6	Very high	65 Å²	65	41.5 Å²	41.5	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-46.6	174.6	-78.1	-91	0	0	0	112.6	G76 E77 N78 A80 Y84 V85 L86	G76-H82 PolarHBondContact O-NE2 3.4Å; E77-H82 WeakPolarHBondContact CA-NE2 3.34Å; E77-H82 IonicContact OE2-CE1 3.29Å; E77-H82 IonicContact OE2-NE2 2.82Å; N78-H82 PolarHBondContact O-CD2 3.08Å; N78-H82 VanDerWaalsContact O-CD2 3.29Å; N78-H82 PolarHBondContact O-N 3.37Å; N78-H82 VanDerWaalsContact O-N 3.08Å; A80-H82 PolarHBondContact O-N 3.28Å; H82-Y84 VanDerWaalsContact C-N 3.34Å; H82-Y84 PolarHBondContact O-N 3.4Å; H82-V85 PolarHBondContact O-N 3.34Å; H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.49Å; H82-L86 PolarHBondContact O-N 3.19Å
83	S	89.6	Confident	93.5	Very high	62 Å²	62	44.7 Å²	44.7	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-40.4	178.8	-177.3	0	0	0	0	111.9	P79 A80 S81 N87	P79-S83 PolarHBondContact O-N 3.03Å; A80-S83 PolarHBondContact O-N 2.91Å; S81-S83 PolarHBondContact O-N 3.32Å; S83-N87 VanDerWaalsContact O-CG 3.22Å; S83-N87 PolarHBondContact O-N 3.37Å; S83-N87 PolarHBondContact O-ND2 3.07Å
84	Y	88.3	Confident	93.5	Very high	80 Å²	80	48.6 Å²	48.6	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-47.7	175.8	-79.9	-62.4	0	0	0	112.4	A80 S81 H82 L86 N87 K88 I276	A80-Y84 WeakPolarHBondContact O-CD2 3.28Å; A80-Y84 PolarHBondContact O-N 3.1Å; S81-Y84 PolarHBondContact O-N 3.31Å; H82-Y84 VanDerWaalsContact C-N 3.34Å; H82-Y84 PolarHBondContact O-N 3.4Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.99Å; Y84-N87 PolarHBondContact O-N 3.21Å; Y84-N87 VanDerWaalsContact O-N 3.16Å; Y84-K88 WeakPolarHBondContact O-CG 3.46Å; Y84-K88 PolarHBondContact O-N 3.03Å; Y84-I276 WeakPolarHBondContact OH-CD1 3.48Å
85	V	93.9	Very high	93.5	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-41.9	178.7	171.5	0	0	0	0	110.8	V72 L74 S81 H82 N87 K88 T89 T101 Q132	V72-V85 HydrophobicContact CB-CG1 4.38Å; V72-V85 HydrophobicContact CG1-CB 4.43Å; V72-V85 HydrophobicContact CG1-CG1 3.79Å; V72-V85 HydrophobicContact CG1-CG2 3.85Å; L74-V85 HydrophobicContact CB-CG2 4.5Å; L74-V85 HydrophobicContact CD1-CG2 4.24Å; L74-V85 HydrophobicContact CD2-CG2 4.44Å; S81-V85 WeakPolarHBondContact O-CG2 3.5Å; S81-V85 PolarHBondContact O-N 3.17Å; H82-V85 PolarHBondContact O-N 3.34Å; V85-N87 VanDerWaalsContact C-N 3.32Å; V85-N87 PolarHBondContact O-N 3.47Å; V85-K88 WeakPolarHBondContact O-CB 3.27Å; V85-K88 PolarHBondContact O-N 3.39Å; V85-K88 VanDerWaalsContact O-N 3.16Å; V85-T89 PolarHBondContact O-N 2.87Å; V85-T89 PolarHBondContact O-OG1 3.07Å; V85-T101 HydrophobicContact CG1-CG2 3.62Å; V85-Q132 HydrophobicContact CG2-CB 3.89Å; V85-Q132 HydrophobicContact CG2-CG 3.71Å
86	L	94.4	Very high	93.5	Very high	75 Å²	75	49.2 Å²	49.2	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-40.3	175.3	-178.6	62.8	0	0	0	112.5	H82 Y84 K88 T89 R90	H82-L86 VanDerWaalsContact O-CB 3.31Å; H82-L86 WeakPolarHBondContact O-CB 3.49Å; H82-L86 PolarHBondContact O-N 3.19Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.99Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-T89 PolarHBondContact O-OG1 2.87Å; L86-R90 HydrophobicContact CD1-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CB 3.47Å; L86-R90 VanDerWaalsContact O-CG 3.26Å; L86-R90 WeakPolarHBondContact O-CG 3.13Å; L86-R90 PolarHBondContact O-N 3.05Å
87	N	94.2	Very high	93.7	Very high	67 Å²	67	49.2 Å²	49.2	36%	0.358	27%	0.268	S	S	.	.	H	α-helix	trans	-66.7	-37.3	175.9	-69.8	-24.5	0	0	0	111.7	S83 Y84 V85 A91	S83-N87 VanDerWaalsContact O-CG 3.22Å; S83-N87 PolarHBondContact O-N 3.37Å; S83-N87 PolarHBondContact O-ND2 3.07Å; Y84-N87 PolarHBondContact O-N 3.21Å; Y84-N87 VanDerWaalsContact O-N 3.16Å; V85-N87 VanDerWaalsContact C-N 3.32Å; V85-N87 PolarHBondContact O-N 3.47Å; N87-A91 WeakPolarHBondContact O-CB 3.47Å; N87-A91 PolarHBondContact O-N 3.39Å
88	K	95.8	Very high	94.1	Very high	14 Å²	14	46.2 Å²	46.2	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-47.6	175.9	-68.5	173	172.9	-174.6	0	111.6	Y84 V85 L86 A91 A92 L130 L320	Y84-K88 WeakPolarHBondContact O-CG 3.46Å; Y84-K88 PolarHBondContact O-N 3.03Å; V85-K88 WeakPolarHBondContact O-CB 3.27Å; V85-K88 PolarHBondContact O-N 3.39Å; V85-K88 VanDerWaalsContact O-N 3.16Å; L86-K88 VanDerWaalsContact C-N 3.34Å; K88-A91 PolarHBondContact O-N 3.25Å; K88-A92 PolarHBondContact O-N 3.09Å; K88-L130 HydrophobicContact CD-CD1 4.39Å; K88-L130 HydrophobicContact CD-CD2 4.19Å; K88-L320 HydrophobicContact CB-CD2 4.07Å; K88-L320 HydrophobicContact CD-CD2 3.55Å; K88-L320 HydrophobicContact CG-CD2 3.62Å
89	T	95.4	Very high	94.6	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-36.2	-179.8	54.9	0	0	0	0	113.1	V85 L86 A92 A93 T101	V85-T89 PolarHBondContact O-N 2.87Å; V85-T89 PolarHBondContact O-OG1 3.07Å; L86-T89 PolarHBondContact O-OG1 2.87Å; T89-A92 WeakPolarHBondContact O-CB 3.42Å; T89-A92 PolarHBondContact O-N 3.47Å; T89-A93 PolarHBondContact O-N 2.81Å; T89-T101 WeakPolarHBondContact CG2-OG1 3.3Å
90	R	97.3	Very high	95.1	Very high	144 Å²	144	44.3 Å²	44.3	54%	0.543	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-45.5	170.6	-75.6	174.5	176.3	173.9	-2.4	111.7	L86 A92 A93 D94	L86-R90 HydrophobicContact CD1-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CB 3.47Å; L86-R90 VanDerWaalsContact O-CG 3.26Å; L86-R90 WeakPolarHBondContact O-CG 3.13Å; L86-R90 PolarHBondContact O-N 3.05Å; R90-A92 VanDerWaalsContact C-N 3.3Å; R90-A92 PolarHBondContact O-N 3.16Å; R90-A93 PolarHBondContact O-N 3.3Å; R90-D94 VanDerWaalsContact O-CG 3.25Å; R90-D94 PolarHBondContact O-N 3.25Å
91	A	97.8	Very high	95.7	Very high	4 Å²	4	46 Å²	46	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-37.3	176.6	0	0	0	0	0	112.2	K50 N87 K88 D94 V95 V317 M321	K50-A91 HydrophobicContact CD-CB 4.18Å; N87-A91 WeakPolarHBondContact O-CB 3.47Å; N87-A91 PolarHBondContact O-N 3.39Å; K88-A91 PolarHBondContact O-N 3.25Å; A91-D94 WeakPolarHBondContact O-CB 3.37Å; A91-D94 PolarHBondContact O-N 2.81Å; A91-V95 WeakPolarHBondContact O-CG2 3.49Å; A91-V95 PolarHBondContact O-N 3.32Å; A91-V317 HydrophobicContact CB-CG1 3.37Å; A91-M321 HydrophobicContact CB-CG 4.11Å; A91-M321 HydrophobicContact CB-SD 4.08Å
92	A	98.4	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-49.6	174	0	0	0	0	0	110.8	K88 T89 R90 D94 V95 G96 I97 M321	K88-A92 PolarHBondContact O-N 3.09Å; T89-A92 WeakPolarHBondContact O-CB 3.42Å; T89-A92 PolarHBondContact O-N 3.47Å; R90-A92 VanDerWaalsContact C-N 3.3Å; R90-A92 PolarHBondContact O-N 3.16Å; A92-D94 PolarHBondContact O-N 2.87Å; A92-V95 WeakPolarHBondContact O-CG2 3.4Å; A92-V95 PolarHBondContact O-N 3.15Å; A92-G96 PolarHBondContact O-N 3.46Å; A92-G96 VanDerWaalsContact O-N 3.13Å; A92-I97 CarbonylContact C-O 3.56Å; A92-I97 VanDerWaalsContact C-O 3.29Å; A92-I97 HydrophobicContact CB-CB 4.01Å; A92-I97 HydrophobicContact CB-CG2 4Å; A92-I97 PolarHBondContact O-N 3Å; A92-M321 WeakPolarHBondContact CA-SD 3.2Å; A92-M321 HydrophobicContact CB-CE 4.46Å; A92-M321 HydrophobicContact CB-SD 3.8Å; A92-M321 PolarHBondContact N-SD 2.65Å
93	A	98.1	Very high	96.4	Very high	68 Å²	68	47.6 Å²	47.6	56%	0.562	26%	0.264	S	S	*	.	H	α-helix	trans	-59.6	-43.7	175.8	0	0	0	0	0	112.6	T89 R90 V95 G96	T89-A93 PolarHBondContact O-N 2.81Å; R90-A93 PolarHBondContact O-N 3.3Å; A93-V95 PolarHBondContact O-N 3.16Å; A93-G96 PolarHBondContact O-N 3.3Å; A93-G96 VanDerWaalsContact O-N 3.12Å
94	D	97.8	Very high	96.9	Very high	81 Å²	81	48.1 Å²	48.1	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-36	179.5	-72.3	-12.5	0	0	0	113	K50 R54 R90 A91 A92	K50-D94 IonicContact NZ-OD2 3.68Å; K50-D94 PolarHBondContact NZ-OD2 2.93Å; R54-D94 PolarHBondContact NH1-O 3.42Å; R90-D94 VanDerWaalsContact O-CG 3.25Å; R90-D94 PolarHBondContact O-N 3.25Å; A91-D94 WeakPolarHBondContact O-CB 3.37Å; A91-D94 PolarHBondContact O-N 2.81Å; A92-D94 PolarHBondContact O-N 2.87Å
95	V	98.5	Very high	97.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	6	-177.2	-51.9	0	0	0	0	113.2	K50 V53 R54 A91 A92 A93 I97 M321	K50-V95 HydrophobicContact CB-CG1 3.72Å; K50-V95 HydrophobicContact CD-CG1 4.2Å; K50-V95 HydrophobicContact CG-CG1 3.93Å; K50-V95 VanDerWaalsContact O-CG1 3.31Å; K50-V95 WeakPolarHBondContact O-CG1 3.33Å; V53-V95 HydrophobicContact CG1-CB 4.05Å; V53-V95 HydrophobicContact CG1-CG1 4.46Å; V53-V95 HydrophobicContact CG1-CG2 3.92Å; R54-V95 HydrophobicContact CB-CB 4.13Å; R54-V95 HydrophobicContact CB-CG1 4.45Å; A91-V95 WeakPolarHBondContact O-CG2 3.49Å; A91-V95 PolarHBondContact O-N 3.32Å; A92-V95 WeakPolarHBondContact O-CG2 3.4Å; A92-V95 PolarHBondContact O-N 3.15Å; A93-V95 PolarHBondContact O-N 3.16Å; V95-I97 HydrophobicContact CG2-CB 4.24Å; V95-I97 HydrophobicContact CG2-CD1 3.6Å; V95-I97 HydrophobicContact CG2-CG1 3.79Å; V95-M321 HydrophobicContact CG2-CB 4.26Å; V95-M321 HydrophobicContact CG2-CG 4.25Å; V95-M321 HydrophobicContact CG2-SD 4.25Å
96	G	98.3	Very high	97.5	Very high	23 Å²	23	50 Å²	50	24%	0.237	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	24.6	178	0	0	0	0	0	114.6	V57 R67 A92 A93	V57-G96 WeakPolarHBondContact CG1-O 3.23Å; R67-G96 WeakPolarHBondContact CD-O 3.45Å; R67-G96 WeakPolarHBondContact CG-O 3.3Å; R67-G96 PolarHBondContact NH1-O 3.33Å; A92-G96 PolarHBondContact O-N 3.46Å; A92-G96 VanDerWaalsContact O-N 3.13Å; A93-G96 PolarHBondContact O-N 3.3Å; A93-G96 VanDerWaalsContact O-N 3.12Å
97	I	98.8	Very high	97.7	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	30%	0.299	C	S	.	.			trans	-93.2	132.7	171.5	-68.3	171.6	0	0	0	108.6	V53 V57 P68 L70 A92 V95 M321 T324	V53-I97 HydrophobicContact CG1-CD1 4.34Å; V57-I97 HydrophobicContact CG2-CD1 4.36Å; V57-I97 HydrophobicContact CG2-CG1 3.96Å; P68-I97 HydrophobicContact CB-CG1 4.15Å; P68-I97 HydrophobicContact CB-CG2 4.38Å; P68-I97 HydrophobicContact CG-CG1 4.46Å; L70-I97 HydrophobicContact CB-CG2 4.08Å; A92-I97 CarbonylContact C-O 3.56Å; A92-I97 VanDerWaalsContact C-O 3.29Å; A92-I97 HydrophobicContact CB-CB 4.01Å; A92-I97 HydrophobicContact CB-CG2 4Å; A92-I97 PolarHBondContact O-N 3Å; V95-I97 HydrophobicContact CG2-CB 4.24Å; V95-I97 HydrophobicContact CG2-CD1 3.6Å; V95-I97 HydrophobicContact CG2-CG1 3.79Å; I97-M321 HydrophobicContact CD1-CB 4.34Å; I97-M321 HydrophobicContact CD1-SD 4.33Å; I97-T324 HydrophobicContact CD1-CG2 4.13Å; I97-T324 HydrophobicContact CG2-CG2 3.95Å
98	N	98.6	Very high	97.9	Very high	76 Å²	76	48.4 Å²	48.4	41%	0.406	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	143.4	171	-72	-22.4	0	0	0	109.2	R67 P68 H69 L70	R67-N98 WeakPolarHBondContact CD-OD1 3.47Å; P68-N98 PolarHBondContact O-N 3.16Å; H69-N98 CarbonylContact C-O 3.48Å; H69-N98 WeakPolarHBondContact CA-O 3.35Å; H69-N98 HydrophobicContact CB-CB 4.3Å; H69-N98 WeakPolarHBondContact ND1-CB 3.41Å; L70-N98 PolarHBondContact N-O 2.88Å
99	S	98	Very high	98	Very high	44 Å²	44	49.9 Å²	49.9	31%	0.308	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.6	175.6	68.4	0	0	0	0	112.8	L70	L70-S99 CarbonylContact O-C 3.29Å; L70-S99 WeakPolarHBondContact O-CA 3.38Å
100	E	97.9	Very high	98.2	Very high	70 Å²	70	50.7 Å²	50.7	33%	0.327	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.5	168	69	-175.6	127.3	0	0	110.6	H69 L70 S71 V72 I102	H69-E100 IonicContact CD2-OE1 2.69Å; H69-E100 IonicContact CE1-OE1 2.68Å; H69-E100 IonicContact NE2-OE1 2.84Å; H69-E100 PolarHBondContact NE2-OE1 3.26Å; L70-E100 PolarHBondContact O-N 3.12Å; S71-E100 PolarHBondContact OG-OE1 3.2Å; V72-E100 PolarHBondContact N-O 3.05Å; E100-I102 HydrophobicContact CG-CG1 4.33Å
101	T	98	Very high	98.2	Very high	57 Å²	57	50.5 Å²	50.5	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.8	170.8	-57	0	0	0	0	108.9	V72 L74 V85 T89 V103	V72-T101 CarbonylContact O-C 3.6Å; V72-T101 WeakPolarHBondContact O-CA 3.35Å; L74-T101 HydrophobicContact CB-CG2 4.34Å; V85-T101 HydrophobicContact CG1-CG2 3.62Å; T89-T101 WeakPolarHBondContact CG2-OG1 3.3Å; T101-V103 HydrophobicContact CG2-CG2 3.89Å
102	I	98.3	Very high	98.3	Very high	28 Å²	28	55.6 Å²	55.6	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	100.2	176.7	-55.8	166.9	0	0	0	107.6	V72 I73 L74 E100 L116 L120	V72-I102 PolarHBondContact O-N 2.82Å; I73-I102 WeakPolarHBondContact CA-O 3.17Å; I73-I102 HydrophobicContact CG1-CB 4.5Å; L74-I102 PolarHBondContact N-O 2.75Å; E100-I102 HydrophobicContact CG-CG1 4.33Å; I102-L116 HydrophobicContact CD1-CD1 4.38Å; I102-L116 HydrophobicContact CG2-CD1 4.49Å; I102-L116 HydrophobicContact CG2-CD2 3.84Å; I102-L120 HydrophobicContact CD1-CD1 3.72Å; I102-L120 HydrophobicContact CD1-CD2 3.96Å; I102-L120 HydrophobicContact CD1-CG 4.42Å
103	V	97.9	Very high	98.3	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.455	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.6	178.8	-174	0	0	0	0	109.8	L74 T101	L74-V103 CarbonylContact O-C 3.55Å; L74-V103 WeakPolarHBondContact O-CA 3.45Å; T101-V103 HydrophobicContact CG2-CG2 3.89Å
104	K	98.4	Very high	98.3	Very high	73 Å²	73	53.8 Å²	53.8	32%	0.317	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.4	175.4	-65.6	-61.3	-174.8	-177.1	0	110.4	L74 V75 G76 I108 L116	L74-K104 PolarHBondContact O-N 3.27Å; V75-K104 WeakPolarHBondContact CA-O 3.37Å; V75-K104 HydrophobicContact CG2-CB 4.39Å; G76-K104 PolarHBondContact N-O 3.02Å; K104-I108 HydrophobicContact CB-CB 4.38Å; K104-I108 HydrophobicContact CB-CD1 3.84Å; K104-I108 HydrophobicContact CB-CG2 4.31Å; K104-I108 HydrophobicContact CD-CD1 3.97Å; K104-I108 HydrophobicContact CG-CD1 3.69Å; K104-L116 HydrophobicContact CG-CD2 4.33Å
105	P	98.1	Very high	98.4	Very high	71 Å²	71	54.5 Å²	54.5	46%	0.461	31%	0.312	S	S	.	.			trans	-65.7	155.5	178.3	30	-35.8	0	0	0	110.4	S107 I108	P105-S107 PolarHBondContact O-N 2.83Å; P105-I108 WeakPolarHBondContact O-CG2 3.13Å; P105-I108 PolarHBondContact O-N 2.74Å; P105-I108 VanDerWaalsContact O-N 3.08Å
106	A	97.6	Very high	98.4	Very high	53 Å²	53	55.7 Å²	55.7	44%	0.438	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.2	174.5	0	0	0	0	0	112.9	P136 H138	A106-P136 HydrophobicContact CB-CG 4.19Å; A106-H138 PolarHBondContact O-CE1 3.38Å
107	S	97.9	Very high	98.4	Very high	98 Å²	98	54.6 Å²	54.6	69%	0.685	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.5	178.2	62.7	0	0	0	0	114.7	P105 S109	P105-S107 PolarHBondContact O-N 2.83Å; S107-S109 PolarHBondContact O-N 3.43Å
108	I	98.6	Very high	98.4	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.056	33%	0.329	C	S	.	.			trans	-55.9	136.4	177.6	-169.7	172.7	0	0	0	110.2	V75 K104 P105 E112 L113 H138 I139	V75-I108 HydrophobicContact CG1-CG2 3.57Å; V75-I108 HydrophobicContact CG2-CG2 4.26Å; K104-I108 HydrophobicContact CB-CB 4.38Å; K104-I108 HydrophobicContact CB-CD1 3.84Å; K104-I108 HydrophobicContact CB-CG2 4.31Å; K104-I108 HydrophobicContact CD-CD1 3.97Å; K104-I108 HydrophobicContact CG-CD1 3.69Å; P105-I108 WeakPolarHBondContact O-CG2 3.13Å; P105-I108 PolarHBondContact O-N 2.74Å; P105-I108 VanDerWaalsContact O-N 3.08Å; I108-E112 HydrophobicContact CD1-CB 4.02Å; I108-E112 HydrophobicContact CG1-CB 3.68Å; I108-L113 HydrophobicContact CD1-CB 4.2Å; I108-H138 PolarHBondContact O-NE2 3.05Å; I108-I139 HydrophobicContact CG2-CD1 4.13Å
109	S	98.6	Very high	98.4	Very high	44 Å²	44	62 Å²	62	31%	0.308	34%	0.339	S	S	.	.			trans	-73.5	157	174.2	65.8	0	0	0	0	111.5	S107 E111 E112 L113	S107-S109 PolarHBondContact O-N 3.43Å; S109-E111 VanDerWaalsContact C-N 3.25Å; S109-E111 PolarHBondContact O-N 3.1Å; S109-E112 WeakPolarHBondContact CB-OE2 3.22Å; S109-E112 PolarHBondContact N-OE2 3.14Å; S109-E112 PolarHBondContact O-N 3.48Å; S109-E112 WeakPolarHBondContact OG-CB 3.45Å; S109-E112 VanDerWaalsContact OG-CD 3.27Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-N 3.41Å; S109-E112 PolarHBondContact OG-OE2 2.96Å; S109-L113 PolarHBondContact O-N 3.17Å; S109-L113 VanDerWaalsContact O-N 3.13Å
110	E	98.6	Very high	98.4	Very high	39 Å²	39	60.2 Å²	60.2	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-38.9	173.3	-177.3	174.4	105	0	0	111.9	L113 L114 I139 D140 R143 I144	E110-L113 PolarHBondContact O-N 3.16Å; E110-L114 HydrophobicContact CG-CD1 4.04Å; E110-L114 HydrophobicContact CG-CG 4.42Å; E110-L114 WeakPolarHBondContact O-CB 3.33Å; E110-L114 VanDerWaalsContact O-CG 3.27Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.93Å; E110-I139 HydrophobicContact CB-CG1 4.5Å; E110-I139 HydrophobicContact CB-CG2 4.41Å; E110-I139 HydrophobicContact CG-CG2 4.25Å; E110-D140 WeakPolarHBondContact OE2-CB 3.32Å; E110-D140 PolarHBondContact OE2-N 3.03Å; E110-R143 WeakPolarHBondContact OE1-CD 3.28Å; E110-R143 IonicContact OE1-CZ 2.65Å; E110-R143 IonicContact OE1-NE 3.91Å; E110-R143 IonicContact OE1-NH1 2.71Å; E110-R143 PolarHBondContact OE1-NH1 3.16Å; E110-I144 HydrophobicContact CG-CD1 4.18Å
111	E	98.7	Very high	98.5	Very high	139 Å²	139	58.3 Å²	58.3	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-63.5	-45.9	178.8	-174.5	-179.4	171	0	0	112.3	S109 L113 L114 N115	S109-E111 VanDerWaalsContact C-N 3.25Å; S109-E111 PolarHBondContact O-N 3.1Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.05Å; E111-L114 PolarHBondContact O-N 3.28Å; E111-N115 WeakPolarHBondContact O-CB 3.43Å; E111-N115 VanDerWaalsContact O-CG 3.3Å; E111-N115 PolarHBondContact O-N 2.95Å; E111-N115 PolarHBondContact O-ND2 2.79Å
112	E	98.7	Very high	98.5	Very high	111 Å²	111	61 Å²	61	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-38.4	176.2	-73.1	166.8	128.6	0	0	112	I108 S109 N115 L116	I108-E112 HydrophobicContact CD1-CB 4.02Å; I108-E112 HydrophobicContact CG1-CB 3.68Å; S109-E112 WeakPolarHBondContact CB-OE2 3.22Å; S109-E112 PolarHBondContact N-OE2 3.14Å; S109-E112 PolarHBondContact O-N 3.48Å; S109-E112 WeakPolarHBondContact OG-CB 3.45Å; S109-E112 VanDerWaalsContact OG-CD 3.27Å; S109-E112 WeakPolarHBondContact OG-CG 3.49Å; S109-E112 PolarHBondContact OG-N 3.41Å; S109-E112 PolarHBondContact OG-OE2 2.96Å; E112-N115 PolarHBondContact O-N 2.9Å; E112-L116 PolarHBondContact O-N 3.3Å
113	L	98.8	Very high	98.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-43	176.4	-178.7	57.3	0	0	0	111.6	I73 V75 I108 S109 E110 E111 N115 L116 I117 L135 I139 I144	I73-L113 HydrophobicContact CD1-CD1 4.27Å; I73-L113 HydrophobicContact CG2-CD1 3.78Å; V75-L113 HydrophobicContact CG2-CD1 4.36Å; V75-L113 HydrophobicContact CG2-CD2 4.33Å; I108-L113 HydrophobicContact CD1-CB 4.2Å; S109-L113 PolarHBondContact O-N 3.17Å; S109-L113 VanDerWaalsContact O-N 3.13Å; E110-L113 PolarHBondContact O-N 3.16Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.05Å; L113-N115 VanDerWaalsContact C-N 3.35Å; L113-N115 PolarHBondContact O-N 3.42Å; L113-L116 WeakPolarHBondContact O-CB 3.45Å; L113-L116 PolarHBondContact O-N 3.25Å; L113-I117 HydrophobicContact CD1-CD1 4.31Å; L113-I117 HydrophobicContact CG-CD1 4.11Å; L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 3.41Å; L113-L135 HydrophobicContact CD2-CD1 4.11Å; L113-L135 HydrophobicContact CD2-CD2 4.4Å; L113-I139 HydrophobicContact CD2-CD1 4.09Å; L113-I139 HydrophobicContact CD2-CG2 4.2Å; L113-I144 HydrophobicContact CB-CD1 4.26Å; L113-I144 HydrophobicContact CD2-CD1 3.64Å; L113-I144 HydrophobicContact CD2-CG1 3.85Å; L113-I144 HydrophobicContact CD2-CG2 4.15Å; L113-I144 HydrophobicContact CG-CD1 3.81Å
114	L	98.8	Very high	98.4	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-41.4	174.5	-72.9	169.8	0	0	0	112	E110 E111 L116 I117 N118 I144 A147	E110-L114 HydrophobicContact CG-CD1 4.04Å; E110-L114 HydrophobicContact CG-CG 4.42Å; E110-L114 WeakPolarHBondContact O-CB 3.33Å; E110-L114 VanDerWaalsContact O-CG 3.27Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.28Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 3.1Å; L114-I117 PolarHBondContact O-N 3.4Å; L114-N118 WeakPolarHBondContact O-CB 3.4Å; L114-N118 PolarHBondContact O-N 3.43Å; L114-I144 HydrophobicContact CD2-CD1 3.76Å; L114-I144 HydrophobicContact CG-CD1 3.87Å; L114-A147 HydrophobicContact CD2-CB 3.37Å
115	N	98.8	Very high	98.3	Very high	96 Å²	96	65.2 Å²	65.2	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-40.1	176.4	-75	-27	0	0	0	111.9	E111 E112 L113 N118 K119	E111-N115 WeakPolarHBondContact O-CB 3.43Å; E111-N115 VanDerWaalsContact O-CG 3.3Å; E111-N115 PolarHBondContact O-N 2.95Å; E111-N115 PolarHBondContact O-ND2 2.79Å; E112-N115 PolarHBondContact O-N 2.9Å; L113-N115 VanDerWaalsContact C-N 3.35Å; L113-N115 PolarHBondContact O-N 3.42Å; N115-N118 PolarHBondContact O-N 3.16Å; N115-K119 PolarHBondContact O-N 3.42Å
116	L	98.8	Very high	98.3	Very high	25 Å²	25	62 Å²	62	13%	0.131	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-45.3	173.8	176.5	62.4	0	0	0	111.7	I73 I102 K104 E112 L113 L114 N118 K119 L120	I73-L116 HydrophobicContact CD1-CD2 3.79Å; I73-L116 HydrophobicContact CD1-CG 3.98Å; I73-L116 HydrophobicContact CG1-CD2 4.03Å; I73-L116 HydrophobicContact CG2-CD2 4.23Å; I102-L116 HydrophobicContact CD1-CD1 4.38Å; I102-L116 HydrophobicContact CG2-CD1 4.49Å; I102-L116 HydrophobicContact CG2-CD2 3.84Å; K104-L116 HydrophobicContact CG-CD2 4.33Å; E112-L116 PolarHBondContact O-N 3.3Å; L113-L116 WeakPolarHBondContact O-CB 3.45Å; L113-L116 PolarHBondContact O-N 3.25Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 3.1Å; L116-N118 VanDerWaalsContact C-N 3.34Å; L116-N118 PolarHBondContact O-N 2.65Å; L116-K119 WeakPolarHBondContact O-CB 3.42Å; L116-K119 PolarHBondContact O-N 2.93Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.19Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 3.39Å; L116-L120 VanDerWaalsContact O-N 3.1Å
117	I	98.8	Very high	98.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-45.2	176.8	-70.3	163.2	0	0	0	110.4	I73 L113 L114 K119 L120 N121 L129 V131 I144 A147 V148	I73-I117 HydrophobicContact CD1-CG1 3.78Å; L113-I117 HydrophobicContact CD1-CD1 4.31Å; L113-I117 HydrophobicContact CG-CD1 4.11Å; L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 3.41Å; L114-I117 PolarHBondContact O-N 3.4Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 3.09Å; I117-L120 PolarHBondContact O-N 3.48Å; I117-L120 VanDerWaalsContact O-N 3.14Å; I117-N121 WeakPolarHBondContact O-CB 3.45Å; I117-N121 VanDerWaalsContact O-CG 3.26Å; I117-N121 PolarHBondContact O-N 2.97Å; I117-N121 PolarHBondContact O-ND2 2.95Å; I117-L129 HydrophobicContact CG2-CD2 4.02Å; I117-V131 HydrophobicContact CD1-CG2 3.95Å; I117-V131 HydrophobicContact CG1-CG2 4.25Å; I117-I144 HydrophobicContact CD1-CD1 4.31Å; I117-I144 HydrophobicContact CD1-CG2 3.68Å; I117-A147 HydrophobicContact CD1-CB 4.44Å; I117-A147 HydrophobicContact CG2-CB 3.94Å; I117-A147 VanDerWaalsContact CG2-O 3.28Å; I117-A147 WeakPolarHBondContact CG2-O 3.46Å; I117-V148 HydrophobicContact CG2-CG2 4.11Å
118	N	98.8	Very high	98.4	Very high	91 Å²	91	55.7 Å²	55.7	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-40.2	176.8	-174.9	52.2	0	0	0	112.1	L114 N115 L116 L120 N121 N122	L114-N118 WeakPolarHBondContact O-CB 3.4Å; L114-N118 PolarHBondContact O-N 3.43Å; N115-N118 PolarHBondContact O-N 3.16Å; L116-N118 VanDerWaalsContact C-N 3.34Å; L116-N118 PolarHBondContact O-N 2.65Å; N118-L120 PolarHBondContact O-N 3.43Å; N118-N121 PolarHBondContact O-N 3.32Å; N118-N122 PolarHBondContact O-N 3.3Å; N118-N122 VanDerWaalsContact O-N 3.16Å; N118-N122 PolarHBondContact O-ND2 3.37Å; N118-N122 PolarHBondContact OD1-ND2 2.87Å; N118-N122 VanDerWaalsContact OD1-ND2 3.09Å
119	K	98.7	Very high	98.4	Very high	146 Å²	146	55.2 Å²	55.2	64%	0.635	28%	0.282	S	S	*	.	H	α-helix	trans	-58.3	-47.9	173.8	-178.4	-174.3	174	-172.8	0	111.5	N115 L116 I117 N122 D123	N115-K119 PolarHBondContact O-N 3.42Å; L116-K119 WeakPolarHBondContact O-CB 3.42Å; L116-K119 PolarHBondContact O-N 2.93Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 3.09Å; K119-N122 PolarHBondContact O-N 2.94Å; K119-D123 PolarHBondContact O-N 2.69Å; K119-D123 VanDerWaalsContact O-N 3.15Å
120	L	98.7	Very high	98.3	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-71.4	-31.8	-178.1	-64.9	166.3	0	0	0	112.6	I73 I102 L116 I117 N118 N122 D123 V126 L129 K152	I73-L120 HydrophobicContact CD1-CD1 3.8Å; I73-L120 HydrophobicContact CG1-CD1 4.1Å; I102-L120 HydrophobicContact CD1-CD1 3.72Å; I102-L120 HydrophobicContact CD1-CD2 3.96Å; I102-L120 HydrophobicContact CD1-CG 4.42Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.19Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 3.39Å; L116-L120 VanDerWaalsContact O-N 3.1Å; I117-L120 PolarHBondContact O-N 3.48Å; I117-L120 VanDerWaalsContact O-N 3.14Å; N118-L120 PolarHBondContact O-N 3.43Å; L120-N122 VanDerWaalsContact C-N 3.3Å; L120-N122 PolarHBondContact O-N 3.03Å; L120-D123 PolarHBondContact O-N 3.38Å; L120-V126 HydrophobicContact CD2-CG2 3.99Å; L120-L129 HydrophobicContact CB-CD1 4.15Å; L120-L129 HydrophobicContact CB-CD2 3.87Å; L120-L129 HydrophobicContact CD1-CD1 3.55Å; L120-L129 HydrophobicContact CD1-CD2 4.46Å; L120-L129 HydrophobicContact CG-CD1 4.46Å; L120-K152 PolarHBondContact O-NZ 3.42Å
121	N	98.6	Very high	98.3	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.16	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-41.1	171.7	-73.6	-20.8	0	0	0	111.6	I117 N118 D123 A147 S149 K152	I117-N121 WeakPolarHBondContact O-CB 3.45Å; I117-N121 VanDerWaalsContact O-CG 3.26Å; I117-N121 PolarHBondContact O-N 2.97Å; I117-N121 PolarHBondContact O-ND2 2.95Å; N118-N121 PolarHBondContact O-N 3.32Å; N121-D123 VanDerWaalsContact C-N 3.33Å; N121-A147 PolarHBondContact ND2-O 3.23Å; N121-S149 WeakPolarHBondContact OD1-CB 3.46Å; N121-S149 PolarHBondContact OD1-N 3.09Å; N121-K152 WeakPolarHBondContact O-CE 3.48Å; N121-K152 PolarHBondContact O-NZ 3.37Å
122	N	98.2	Very high	98.1	Very high	114 Å²	114	46 Å²	46	61%	0.61	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.8	-179.4	-67.4	-64.4	0	0	0	113.8	N118 K119 L120 D124	N118-N122 PolarHBondContact O-N 3.3Å; N118-N122 VanDerWaalsContact O-N 3.16Å; N118-N122 PolarHBondContact O-ND2 3.37Å; N118-N122 PolarHBondContact OD1-ND2 2.87Å; N118-N122 VanDerWaalsContact OD1-ND2 3.09Å; K119-N122 PolarHBondContact O-N 2.94Å; L120-N122 VanDerWaalsContact C-N 3.3Å; L120-N122 PolarHBondContact O-N 3.03Å; N122-D124 PolarHBondContact O-N 2.83Å
123	D	98.1	Very high	97.9	Very high	58 Å²	58	42.3 Å²	42.3	31%	0.31	22%	0.218	S	C	.	.			trans	-85.6	105.8	175.5	-170.5	-13.6	0	0	0	110.3	K119 L120 N121 N125 V126 K152	K119-D123 PolarHBondContact O-N 2.69Å; K119-D123 VanDerWaalsContact O-N 3.15Å; L120-D123 PolarHBondContact O-N 3.38Å; N121-D123 VanDerWaalsContact C-N 3.33Å; D123-N125 PolarHBondContact O-N 3.47Å; D123-N125 VanDerWaalsContact O-N 3.11Å; D123-N125 WeakPolarHBondContact OD1-CA 3.38Å; D123-N125 WeakPolarHBondContact OD1-CB 3.48Å; D123-N125 PolarHBondContact OD1-N 3.03Å; D123-V126 HydrophobicContact CB-CB 4.4Å; D123-V126 HydrophobicContact CB-CG2 3.93Å; D123-V126 PolarHBondContact O-N 3.13Å; D123-K152 PolarHBondContact O-NZ 2.82Å
124	D	96.1	Very high	97.6	Very high	137 Å²	137	46 Å²	46	73%	0.733	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.4	175.8	-75.2	-38.1	0	0	0	113.1	N122 V126	N122-D124 PolarHBondContact O-N 2.83Å; D124-V126 VanDerWaalsContact C-N 3.31Å
125	N	96.8	Very high	97.5	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13	171.2	-167.7	47.3	0	0	0	113.1	K66 H69 D123	K66-N125 VanDerWaalsContact CD-OD1 3.31Å; K66-N125 WeakPolarHBondContact CD-OD1 3.49Å; K66-N125 WeakPolarHBondContact CE-OD1 3.39Å; K66-N125 VanDerWaalsContact NZ-CA 3.26Å; K66-N125 PolarHBondContact NZ-O 3.27Å; K66-N125 PolarHBondContact NZ-OD1 2.92Å; H69-N125 WeakPolarHBondContact CB-O 3.5Å; D123-N125 PolarHBondContact O-N 3.47Å; D123-N125 VanDerWaalsContact O-N 3.11Å; D123-N125 WeakPolarHBondContact OD1-CA 3.38Å; D123-N125 WeakPolarHBondContact OD1-CB 3.48Å; D123-N125 PolarHBondContact OD1-N 3.03Å
126	V	98.4	Very high	97.4	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.223	C	C	.	.			trans	-100.8	119.5	177.8	179.5	0	0	0	0	109.5	S71 L120 D123 D124 G128 K152	S71-V126 WeakPolarHBondContact OG-CG1 3.32Å; S71-V126 WeakPolarHBondContact OG-CG2 3.48Å; L120-V126 HydrophobicContact CD2-CG2 3.99Å; D123-V126 HydrophobicContact CB-CB 4.4Å; D123-V126 HydrophobicContact CB-CG2 3.93Å; D123-V126 PolarHBondContact O-N 3.13Å; D124-V126 VanDerWaalsContact C-N 3.31Å; V126-G128 WeakPolarHBondContact CG1-O 3.44Å; V126-K152 WeakPolarHBondContact O-CD 3.43Å; V126-K152 WeakPolarHBondContact O-CE 3.49Å; V126-K152 PolarHBondContact O-NZ 2.89Å
127	D	98.4	Very high	97.3	Very high	20 Å²	20	50.5 Å²	50.5	11%	0.107	26%	0.262	C	S	.	.			trans	-98	-41.1	-179.3	-57.5	-75.2	0	0	0	111.2	K66 P68 H69 K152 A327 A328	K66-D127 IonicContact NZ-OD1 3.55Å; K66-D127 IonicContact NZ-OD2 2.73Å; K66-D127 PolarHBondContact NZ-OD2 2.53Å; P68-D127 WeakPolarHBondContact CA-OD2 3.18Å; H69-D127 PolarHBondContact N-OD2 2.9Å; H69-D127 PolarHBondContact O-N 3.18Å; D127-K152 WeakPolarHBondContact O-CA 3.06Å; D127-A327 WeakPolarHBondContact O-CB 3.41Å; D127-A328 HydrophobicContact CB-CB 3.83Å
128	G	98.4	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	175.1	0	0	0	0	0	111.6	H69 L70 S71 V126	H69-G128 PolarHBondContact O-N 3.47Å; L70-G128 WeakPolarHBondContact CA-O 3.04Å; S71-G128 PolarHBondContact N-O 3.19Å; V126-G128 WeakPolarHBondContact CG1-O 3.44Å
129	L	98.6	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.9	175.7	177.6	57.9	0	0	0	109.7	I73 I117 L120 V148 K152	I73-L129 HydrophobicContact CD1-CD1 4.14Å; I73-L129 HydrophobicContact CG1-CD1 4.38Å; I117-L129 HydrophobicContact CG2-CD2 4.02Å; L120-L129 HydrophobicContact CB-CD1 4.15Å; L120-L129 HydrophobicContact CB-CD2 3.87Å; L120-L129 HydrophobicContact CD1-CD1 3.55Å; L120-L129 HydrophobicContact CD1-CD2 4.46Å; L120-L129 HydrophobicContact CG-CD1 4.46Å; L129-V148 HydrophobicContact CB-CG1 4.01Å; L129-V148 HydrophobicContact CD2-CG1 4.06Å; L129-V148 HydrophobicContact CD2-CG2 4.17Å; L129-V148 HydrophobicContact CG-CG1 4.05Å; L129-V148 HydrophobicContact CG-CG2 4.29Å; L129-K152 HydrophobicContact CB-CB 4.23Å; L129-K152 PolarHBondContact N-O 2.87Å
130	L	96.6	Very high	97.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.3	174.4	86.3	95	0	0	0	111.8	L70 S71 V72 I73 K88 V154 D155 L320	L70-L130 HydrophobicContact CD1-CD2 4.02Å; L70-L130 HydrophobicContact CD2-CD2 4.32Å; L70-L130 HydrophobicContact CG-CD2 4.4Å; S71-L130 PolarHBondContact O-N 3.35Å; V72-L130 WeakPolarHBondContact CA-O 3.27Å; V72-L130 HydrophobicContact CB-CD1 4.47Å; V72-L130 HydrophobicContact CB-CD2 4.44Å; V72-L130 HydrophobicContact CB-CG 4.18Å; V72-L130 HydrophobicContact CG1-CD1 3.61Å; V72-L130 HydrophobicContact CG1-CD2 4.32Å; V72-L130 HydrophobicContact CG1-CG 3.87Å; V72-L130 HydrophobicContact CG2-CD1 4.45Å; V72-L130 HydrophobicContact CG2-CD2 3.62Å; V72-L130 HydrophobicContact CG2-CG 3.88Å; I73-L130 PolarHBondContact N-O 3.31Å; K88-L130 HydrophobicContact CD-CD1 4.39Å; K88-L130 HydrophobicContact CD-CD2 4.19Å; L130-V154 HydrophobicContact CB-CG2 4.19Å; L130-D155 WeakPolarHBondContact CB-OD2 3.32Å; L130-L320 HydrophobicContact CD2-CD1 3.98Å; L130-L320 HydrophobicContact CD2-CD2 3.66Å; L130-L320 HydrophobicContact CD2-CG 4.39Å
131	V	97.8	Very high	97.1	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116	173.2	-174.8	0	0	0	0	108	I73 I117 L133 L135 I144 V148	I73-V131 HydrophobicContact CB-CG1 4.43Å; I73-V131 HydrophobicContact CB-CG2 4.34Å; I73-V131 HydrophobicContact CD1-CG2 4.09Å; I117-V131 HydrophobicContact CD1-CG2 3.95Å; I117-V131 HydrophobicContact CG1-CG2 4.25Å; V131-L133 PolarHBondContact O-N 3.32Å; V131-L135 HydrophobicContact CG1-CD1 4.26Å; V131-L135 HydrophobicContact CG1-CD2 3.9Å; V131-L135 HydrophobicContact CG1-CG 4.49Å; V131-I144 HydrophobicContact CB-CG2 4.13Å; V131-I144 HydrophobicContact CG1-CG2 3.93Å; V131-I144 HydrophobicContact CG2-CG2 3.93Å; V131-V148 HydrophobicContact CG2-CG2 4.26Å
132	Q	96.3	Very high	96.9	Very high	20 Å²	20	55.4 Å²	55.4	9%	0.093	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-69.9	118.1	-175.9	-178	61.4	50.6	0	0	110.8	I73 L74 V85	I73-Q132 WeakPolarHBondContact O-CB 3.26Å; I73-Q132 PolarHBondContact O-N 3.29Å; L74-Q132 HydrophobicContact CD1-CB 4.12Å; L74-Q132 HydrophobicContact CD1-CG 4.03Å; V85-Q132 HydrophobicContact CG2-CB 3.89Å; V85-Q132 HydrophobicContact CG2-CG 3.71Å
133	L	93.7	Very high	96.9	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.168	28%	0.277	C	S	.	.	S	Bend	trans	-88.5	157.9	174.2	-59.2	-174.3	0	0	0	112	V131 L135 E141 F157	V131-L133 PolarHBondContact O-N 3.32Å; L133-L135 HydrophobicContact CD2-CD1 4.15Å; L133-L135 HydrophobicContact CD2-CG 3.85Å; L133-E141 HydrophobicContact CD2-CB 4.33Å; L133-E141 HydrophobicContact CD2-CG 4.02Å; L133-F157 HydrophobicContact CD1-CD2 4.29Å; L133-F157 HydrophobicContact CD1-CE2 4.16Å
134	P	93.4	Very high	96.9	Very high	78 Å²	78	53.8 Å²	53.8	51%	0.506	26%	0.262	S	S	.	.	P	Polyproline II helix	cis	-75	155.8	-5.3	32.8	-35.6	0	0	0	112.7	E141	P134-E141 WeakPolarHBondContact CA-OE1 3.17Å; P134-E141 WeakPolarHBondContact CB-OE1 3.06Å
135	L	95.4	Very high	97	Very high	16 Å²	16	48 Å²	48	8%	0.084	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-90.9	163.1	171.1	-66.8	175.3	0	0	0	111.2	V75 L113 V131 L133 I139 E141 I144	V75-L135 HydrophobicContact CB-CD2 3.82Å; V75-L135 HydrophobicContact CG2-CD2 3.74Å; L113-L135 HydrophobicContact CD2-CD1 4.11Å; L113-L135 HydrophobicContact CD2-CD2 4.4Å; V131-L135 HydrophobicContact CG1-CD1 4.26Å; V131-L135 HydrophobicContact CG1-CD2 3.9Å; V131-L135 HydrophobicContact CG1-CG 4.49Å; L133-L135 HydrophobicContact CD2-CD1 4.15Å; L133-L135 HydrophobicContact CD2-CG 3.85Å; L135-I139 HydrophobicContact CB-CB 4.36Å; L135-I139 HydrophobicContact CD1-CG2 3.81Å; L135-E141 HydrophobicContact CB-CG 3.98Å; L135-E141 HydrophobicContact CD1-CG 4.16Å; L135-E141 HydrophobicContact CG-CG 4.24Å; L135-E141 PolarHBondContact N-OE1 3.33Å; L135-I144 HydrophobicContact CD1-CB 4.01Å; L135-I144 HydrophobicContact CD1-CG1 3.86Å; L135-I144 HydrophobicContact CD1-CG2 3.9Å
136	P	96.6	Very high	97.1	Very high	27 Å²	27	47.4 Å²	47.4	18%	0.175	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-53.6	147.4	168.4	-27.2	36.2	0	0	0	112.8	V75 A106 H138 I139	V75-P136 HydrophobicContact CG1-CG 3.69Å; A106-P136 HydrophobicContact CB-CG 4.19Å; P136-H138 WeakPolarHBondContact CB-CE1 3.46Å; P136-H138 WeakPolarHBondContact CB-ND1 3.47Å; P136-H138 PolarHBondContact O-N 2.87Å; P136-I139 PolarHBondContact O-N 3.05Å
137	E	96.5	Very high	97.1	Very high	204 Å²	204	48.6 Å²	48.6	95%	0.953	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.4	-172.4	-65.3	-171.7	162.3	0	0	114.7	I139	E137-I139 PolarHBondContact O-N 3.15Å
138	H	97.6	Very high	97.1	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.3	178.6	70.5	-79.7	0	0	0	114	A106 I108 P136	A106-H138 PolarHBondContact O-CE1 3.38Å; I108-H138 PolarHBondContact O-NE2 3.05Å; P136-H138 WeakPolarHBondContact CB-CE1 3.46Å; P136-H138 WeakPolarHBondContact CB-ND1 3.47Å; P136-H138 PolarHBondContact O-N 2.87Å
139	I	98.2	Very high	97.1	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.046	25%	0.246	C	C	.	.	S	Bend	trans	-113.4	130.1	178.9	-58.5	-178.3	0	0	0	109.9	I108 E110 L113 L135 P136 E137 E141 I144	I108-I139 HydrophobicContact CG2-CD1 4.13Å; E110-I139 HydrophobicContact CB-CG1 4.5Å; E110-I139 HydrophobicContact CB-CG2 4.41Å; E110-I139 HydrophobicContact CG-CG2 4.25Å; L113-I139 HydrophobicContact CD2-CD1 4.09Å; L113-I139 HydrophobicContact CD2-CG2 4.2Å; L135-I139 HydrophobicContact CB-CB 4.36Å; L135-I139 HydrophobicContact CD1-CG2 3.81Å; P136-I139 PolarHBondContact O-N 3.05Å; E137-I139 PolarHBondContact O-N 3.15Å; I139-E141 PolarHBondContact O-N 2.98Å; I139-E141 VanDerWaalsContact O-N 3.17Å; I139-I144 HydrophobicContact CG2-CD1 4.07Å; I139-I144 HydrophobicContact CG2-CG1 3.49Å; I139-I144 VanDerWaalsContact CG2-CG1 3.49Å
140	D	98	Very high	97.1	Very high	85 Å²	85	51.2 Å²	51.2	46%	0.455	26%	0.258	S	S	.	.			trans	-76.3	100.8	173.3	-175.6	-21.3	0	0	0	111	E110 R142 R143 I144	E110-D140 WeakPolarHBondContact OE2-CB 3.32Å; E110-D140 PolarHBondContact OE2-N 3.03Å; D140-R142 PolarHBondContact O-N 3.13Å; D140-R142 WeakPolarHBondContact OD1-CA 3.44Å; D140-R142 VanDerWaalsContact OD1-CB 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.14Å; D140-R142 PolarHBondContact OD1-N 3.35Å; D140-R143 HydrophobicContact CB-CB 3.94Å; D140-R143 PolarHBondContact O-N 3.18Å; D140-R143 VanDerWaalsContact O-N 3.12Å; D140-R143 PolarHBondContact OD1-N 3.27Å; D140-R143 VanDerWaalsContact OD1-N 3.14Å; D140-I144 WeakPolarHBondContact O-CG1 3.36Å; D140-I144 PolarHBondContact O-N 3.48Å
141	E	96.6	Very high	97.1	Very high	70 Å²	70	53.6 Å²	53.6	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-53.6	-35.5	176.7	-65.7	-171.4	163	0	0	113.6	L133 P134 L135 I139 I144 C145	L133-E141 HydrophobicContact CD2-CB 4.33Å; L133-E141 HydrophobicContact CD2-CG 4.02Å; P134-E141 WeakPolarHBondContact CA-OE1 3.17Å; P134-E141 WeakPolarHBondContact CB-OE1 3.06Å; L135-E141 HydrophobicContact CB-CG 3.98Å; L135-E141 HydrophobicContact CD1-CG 4.16Å; L135-E141 HydrophobicContact CG-CG 4.24Å; L135-E141 PolarHBondContact N-OE1 3.33Å; I139-E141 PolarHBondContact O-N 2.98Å; I139-E141 VanDerWaalsContact O-N 3.17Å; E141-I144 PolarHBondContact O-N 3.35Å; E141-C145 WeakPolarHBondContact O-CB 3.34Å; E141-C145 PolarHBondContact O-N 2.88Å; E141-C145 PolarHBondContact O-SG 2.84Å
142	R	95.9	Very high	97.2	Very high	104 Å²	104	53.9 Å²	53.9	39%	0.392	27%	0.271	S	S	.	.	H	α-helix	trans	-69.7	-42.2	-179.5	175.7	53.6	56.1	-166.9	-4.7	110.3	D140 I144 C145 N146 F157	D140-R142 PolarHBondContact O-N 3.13Å; D140-R142 WeakPolarHBondContact OD1-CA 3.44Å; D140-R142 VanDerWaalsContact OD1-CB 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.14Å; D140-R142 PolarHBondContact OD1-N 3.35Å; R142-I144 VanDerWaalsContact C-N 3.31Å; R142-C145 PolarHBondContact O-N 3.13Å; R142-N146 WeakPolarHBondContact O-CB 3.32Å; R142-N146 PolarHBondContact O-N 2.93Å; R142-F157 PolarHBondContact NH1-O 3.02Å
143	R	98.1	Very high	97.3	Very high	139 Å²	139	53.2 Å²	53.2	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.2	-168	-177.9	177.9	-178.4	-0.8	110.8	E110 D140 N146 A147	E110-R143 WeakPolarHBondContact OE1-CD 3.28Å; E110-R143 IonicContact OE1-CZ 2.65Å; E110-R143 IonicContact OE1-NE 3.91Å; E110-R143 IonicContact OE1-NH1 2.71Å; E110-R143 PolarHBondContact OE1-NH1 3.16Å; D140-R143 HydrophobicContact CB-CB 3.94Å; D140-R143 PolarHBondContact O-N 3.18Å; D140-R143 VanDerWaalsContact O-N 3.12Å; D140-R143 PolarHBondContact OD1-N 3.27Å; D140-R143 VanDerWaalsContact OD1-N 3.14Å; R143-N146 PolarHBondContact O-N 2.82Å; R143-A147 PolarHBondContact O-N 2.75Å; R143-A147 VanDerWaalsContact O-N 3.14Å
144	I	98.4	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-47.5	177.1	-65.4	-52.6	0	0	0	112.3	E110 L113 L114 I117 V131 L135 I139 D140 E141 R142 N146 A147	E110-I144 HydrophobicContact CG-CD1 4.18Å; L113-I144 HydrophobicContact CB-CD1 4.26Å; L113-I144 HydrophobicContact CD2-CD1 3.64Å; L113-I144 HydrophobicContact CD2-CG1 3.85Å; L113-I144 HydrophobicContact CD2-CG2 4.15Å; L113-I144 HydrophobicContact CG-CD1 3.81Å; L114-I144 HydrophobicContact CD2-CD1 3.76Å; L114-I144 HydrophobicContact CG-CD1 3.87Å; I117-I144 HydrophobicContact CD1-CD1 4.31Å; I117-I144 HydrophobicContact CD1-CG2 3.68Å; V131-I144 HydrophobicContact CB-CG2 4.13Å; V131-I144 HydrophobicContact CG1-CG2 3.93Å; V131-I144 HydrophobicContact CG2-CG2 3.93Å; L135-I144 HydrophobicContact CD1-CB 4.01Å; L135-I144 HydrophobicContact CD1-CG1 3.86Å; L135-I144 HydrophobicContact CD1-CG2 3.9Å; I139-I144 HydrophobicContact CG2-CD1 4.07Å; I139-I144 HydrophobicContact CG2-CG1 3.49Å; I139-I144 VanDerWaalsContact CG2-CG1 3.49Å; D140-I144 WeakPolarHBondContact O-CG1 3.36Å; D140-I144 PolarHBondContact O-N 3.48Å; E141-I144 PolarHBondContact O-N 3.35Å; R142-I144 VanDerWaalsContact C-N 3.31Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 2.91Å; I144-A147 WeakPolarHBondContact O-CB 3.11Å; I144-A147 PolarHBondContact O-N 3.48Å
145	C	97.6	Very high	97.6	Very high	14 Å²	14	48.7 Å²	48.7	10%	0.095	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-37.5	177.5	-66.7	0	0	0	0	112.1	E141 R142 A147 F157	E141-C145 WeakPolarHBondContact O-CB 3.34Å; E141-C145 PolarHBondContact O-N 2.88Å; E141-C145 PolarHBondContact O-SG 2.84Å; R142-C145 PolarHBondContact O-N 3.13Å; C145-A147 VanDerWaalsContact C-N 3.25Å; C145-A147 PolarHBondContact O-N 3.27Å; C145-F157 HydrophobicContact CB-CB 3.97Å
146	N	98.3	Very high	97.7	Very high	58 Å²	58	47.9 Å²	47.9	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.9	177.6	-73.8	-11.5	0	0	0	113.8	R142 R143 I144 H158 V159	R142-N146 WeakPolarHBondContact O-CB 3.32Å; R142-N146 PolarHBondContact O-N 2.93Å; R143-N146 PolarHBondContact O-N 2.82Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 2.91Å; N146-H158 VanDerWaalsContact CA-CD2 3.5Å; N146-H158 WeakPolarHBondContact CA-CD2 3.32Å; N146-H158 PolarHBondContact O-CD2 3.49Å; N146-H158 PolarHBondContact O-NE2 2.98Å; N146-V159 WeakPolarHBondContact OD1-CB 3.48Å; N146-V159 PolarHBondContact OD1-N 3.26Å
147	A	98.6	Very high	97.7	Very high	28 Å²	28	48.1 Å²	48.1	23%	0.231	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-21.8	175.3	0	0	0	0	0	112.4	L114 I117 N121 R143 I144 C145	L114-A147 HydrophobicContact CD2-CB 3.37Å; I117-A147 HydrophobicContact CD1-CB 4.44Å; I117-A147 HydrophobicContact CG2-CB 3.94Å; I117-A147 VanDerWaalsContact CG2-O 3.28Å; I117-A147 WeakPolarHBondContact CG2-O 3.46Å; N121-A147 PolarHBondContact ND2-O 3.23Å; R143-A147 PolarHBondContact O-N 2.75Å; R143-A147 VanDerWaalsContact O-N 3.14Å; I144-A147 WeakPolarHBondContact O-CB 3.11Å; I144-A147 PolarHBondContact O-N 3.48Å; C145-A147 VanDerWaalsContact C-N 3.25Å; C145-A147 PolarHBondContact O-N 3.27Å
148	V	98.7	Very high	97.8	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	19%	0.193	C	C	.	.	S	Bend	trans	-69.1	130.9	175.3	177.8	0	0	0	0	109.1	I117 L129 V131 D153 H158	I117-V148 HydrophobicContact CG2-CG2 4.11Å; L129-V148 HydrophobicContact CB-CG1 4.01Å; L129-V148 HydrophobicContact CD2-CG1 4.06Å; L129-V148 HydrophobicContact CD2-CG2 4.17Å; L129-V148 HydrophobicContact CG-CG1 4.05Å; L129-V148 HydrophobicContact CG-CG2 4.29Å; V131-V148 HydrophobicContact CG2-CG2 4.26Å; V148-D153 HydrophobicContact CG1-CB 3.88Å; V148-H158 PolarHBondContact O-CD2 3.46Å
149	S	98.5	Very high	97.9	Very high	33 Å²	33	38 Å²	38	23%	0.231	19%	0.192	C	C	.	.			trans	-57.7	133	179.3	-166.2	0	0	0	0	110.8	N121 D151 K152 D153	N121-S149 WeakPolarHBondContact OD1-CB 3.46Å; N121-S149 PolarHBondContact OD1-N 3.09Å; S149-D151 VanDerWaalsContact CB-OD1 3.28Å; S149-D151 WeakPolarHBondContact CB-OD1 3.48Å; S149-D151 PolarHBondContact O-N 3.47Å; S149-D151 VanDerWaalsContact O-N 3.13Å; S149-D151 PolarHBondContact OG-OD1 2.87Å; S149-K152 CarbonylContact O-C 3.58Å; S149-K152 PolarHBondContact O-N 3.49Å; S149-D153 PolarHBondContact O-N 2.98Å
150	P	98.2	Very high	97.9	Very high	37 Å²	37	41.6 Å²	41.6	24%	0.24	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.3	-175.7	-24.5	30.3	0	0	0	114.5	K152 I160 N161	P150-K152 VanDerWaalsContact C-N 3.32Å; P150-I160 HydrophobicContact CB-CB 4.37Å; P150-I160 HydrophobicContact CB-CG2 4.36Å; P150-I160 HydrophobicContact CG-CB 4.28Å; P150-I160 HydrophobicContact CG-CD1 3.81Å; P150-N161 PolarHBondContact O-ND2 2.78Å
151	D	97.3	Very high	97.9	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.4	178.7	65.2	-40.1	0	0	0	113.4	S149	S149-D151 VanDerWaalsContact CB-OD1 3.28Å; S149-D151 WeakPolarHBondContact CB-OD1 3.48Å; S149-D151 PolarHBondContact O-N 3.47Å; S149-D151 VanDerWaalsContact O-N 3.13Å; S149-D151 PolarHBondContact OG-OD1 2.87Å
152	K	98.5	Very high	98	Very high	14 Å²	14	35.7 Å²	35.7	6%	0.061	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-6.4	174.3	-54.7	-166.6	-173.1	-166.6	0	113.5	L120 N121 D123 V126 D127 L129 S149 P150 V154	L120-K152 PolarHBondContact O-NZ 3.42Å; N121-K152 WeakPolarHBondContact O-CE 3.48Å; N121-K152 PolarHBondContact O-NZ 3.37Å; D123-K152 PolarHBondContact O-NZ 2.82Å; V126-K152 WeakPolarHBondContact O-CD 3.43Å; V126-K152 WeakPolarHBondContact O-CE 3.49Å; V126-K152 PolarHBondContact O-NZ 2.89Å; D127-K152 WeakPolarHBondContact O-CA 3.06Å; L129-K152 HydrophobicContact CB-CB 4.23Å; L129-K152 PolarHBondContact N-O 2.87Å; S149-K152 CarbonylContact O-C 3.58Å; S149-K152 PolarHBondContact O-N 3.49Å; P150-K152 VanDerWaalsContact C-N 3.32Å; K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 3.41Å
153	D	98.4	Very high	98.1	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-73.9	74.9	-177.9	170.8	38.6	0	0	0	111.5	V148 S149 D155 G156 F157 H158 N161 M172	V148-D153 HydrophobicContact CG1-CB 3.88Å; S149-D153 PolarHBondContact O-N 2.98Å; D153-D155 PolarHBondContact O-N 3.24Å; D153-G156 PolarHBondContact O-N 3.24Å; D153-G156 PolarHBondContact OD1-N 2.97Å; D153-G156 VanDerWaalsContact OD2-CA 3.24Å; D153-G156 WeakPolarHBondContact OD2-CA 3.45Å; D153-F157 PolarHBondContact OD1-N 3.29Å; D153-F157 VanDerWaalsContact OD1-N 3.12Å; D153-F157 PolarHBondContact OD2-N 3.29Å; D153-H158 HydrophobicContact CB-CB 4.09Å; D153-H158 WeakPolarHBondContact OD2-CB 3.38Å; D153-H158 PolarHBondContact OD2-N 2.9Å; D153-N161 WeakPolarHBondContact CB-ND2 3.49Å; D153-N161 PolarHBondContact OD2-ND2 3.46Å; D153-M172 WeakPolarHBondContact O-CB 3.5Å; D153-M172 WeakPolarHBondContact O-CG 3.37Å
154	V	98.3	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.8	-178.2	-67	0	0	0	0	113.6	L70 L130 K152 L320 N323 A327	L70-V154 HydrophobicContact CD1-CG2 3.81Å; L130-V154 HydrophobicContact CB-CG2 4.19Å; K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 3.41Å; V154-L320 HydrophobicContact CB-CD1 3.92Å; V154-L320 HydrophobicContact CG2-CD1 3.61Å; V154-N323 HydrophobicContact CB-CB 3.95Å; V154-N323 HydrophobicContact CG1-CB 4.2Å; V154-N323 PolarHBondContact O-ND2 3.32Å; V154-A327 HydrophobicContact CG1-CB 4.01Å
155	D	95.6	Very high	98.1	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.08	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.4	169.4	-96.3	-25.5	0	0	0	112.4	L130 D153 F157 P174	L130-D155 WeakPolarHBondContact CB-OD2 3.32Å; D153-D155 PolarHBondContact O-N 3.24Å; D155-F157 VanDerWaalsContact C-N 3.35Å; D155-F157 HydrophobicContact CB-CD2 3.77Å; D155-F157 HydrophobicContact CB-CE2 3.71Å; D155-F157 HydrophobicContact CB-CG 4.24Å; D155-F157 HydrophobicContact CB-CZ 4.14Å; D155-F157 VanDerWaalsContact O-CD1 3.27Å; D155-F157 WeakPolarHBondContact O-CD1 3.36Å; D155-F157 VanDerWaalsContact O-CE1 3.27Å; D155-F157 WeakPolarHBondContact O-CE1 3.5Å; D155-F157 PolarHBondContact O-N 2.86Å; D155-P174 VanDerWaalsContact O-CA 3.24Å; D155-P174 WeakPolarHBondContact O-CA 3.4Å; D155-P174 WeakPolarHBondContact O-CB 3.46Å
156	G	97.6	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.			trans	69.5	25.5	175.3	0	0	0	0	0	114.6	D153 M172	D153-G156 PolarHBondContact O-N 3.24Å; D153-G156 PolarHBondContact OD1-N 2.97Å; D153-G156 VanDerWaalsContact OD2-CA 3.24Å; D153-G156 WeakPolarHBondContact OD2-CA 3.45Å; G156-M172 WeakPolarHBondContact CA-O 3.4Å
157	F	97.9	Very high	98.2	Very high	31 Å²	31	32.1 Å²	32.1	14%	0.136	19%	0.187	C	C	.	.			trans	-96.7	-13.5	-174.3	-61.9	-25.5	0	0	0	114.7	L133 R142 C145 D153 D155 P174 N204	L133-F157 HydrophobicContact CD1-CD2 4.29Å; L133-F157 HydrophobicContact CD1-CE2 4.16Å; R142-F157 PolarHBondContact NH1-O 3.02Å; C145-F157 HydrophobicContact CB-CB 3.97Å; D153-F157 PolarHBondContact OD1-N 3.29Å; D153-F157 VanDerWaalsContact OD1-N 3.12Å; D153-F157 PolarHBondContact OD2-N 3.29Å; D155-F157 VanDerWaalsContact C-N 3.35Å; D155-F157 HydrophobicContact CB-CD2 3.77Å; D155-F157 HydrophobicContact CB-CE2 3.71Å; D155-F157 HydrophobicContact CB-CG 4.24Å; D155-F157 HydrophobicContact CB-CZ 4.14Å; D155-F157 VanDerWaalsContact O-CD1 3.27Å; D155-F157 WeakPolarHBondContact O-CD1 3.36Å; D155-F157 VanDerWaalsContact O-CE1 3.27Å; D155-F157 WeakPolarHBondContact O-CE1 3.5Å; D155-F157 PolarHBondContact O-N 2.86Å; F157-P174 HydrophobicContact CD1-CB 4.34Å; F157-P174 HydrophobicContact CE1-CB 3.92Å; F157-N204 HydrophobicContact CD1-CB 4.14Å; F157-N204 HydrophobicContact CE1-CB 3.41Å; F157-N204 VanDerWaalsContact CE1-CB 3.41Å; F157-N204 HydrophobicContact CZ-CB 3.67Å
158	H	98.6	Very high	98.1	Very high	18 Å²	18	31.5 Å²	31.5	8%	0.083	18%	0.179	C	C	.	.	S	Bend	trans	-60.7	137.2	175.8	-171.3	-79.4	0	0	0	109.9	N146 V148 D153 I160 N161 V162	N146-H158 VanDerWaalsContact CA-CD2 3.5Å; N146-H158 WeakPolarHBondContact CA-CD2 3.32Å; N146-H158 PolarHBondContact O-CD2 3.49Å; N146-H158 PolarHBondContact O-NE2 2.98Å; V148-H158 PolarHBondContact O-CD2 3.46Å; D153-H158 HydrophobicContact CB-CB 4.09Å; D153-H158 WeakPolarHBondContact OD2-CB 3.38Å; D153-H158 PolarHBondContact OD2-N 2.9Å; H158-I160 WeakPolarHBondContact ND1-CB 3.49Å; H158-I160 PolarHBondContact ND1-N 3.19Å; H158-I160 PolarHBondContact O-N 3.22Å; H158-I160 VanDerWaalsContact O-N 3.09Å; H158-N161 PolarHBondContact O-N 3.08Å; H158-V162 PolarHBondContact O-N 2.83Å
159	V	98.3	Very high	98.1	Very high	80 Å²	80	34.5 Å²	34.5	49%	0.485	19%	0.193	S	C	.	.	H	α-helix	trans	-54.8	-33.7	-176.1	64.9	0	0	0	0	113.5	N146 G163	N146-V159 WeakPolarHBondContact OD1-CB 3.48Å; N146-V159 PolarHBondContact OD1-N 3.26Å; V159-G163 PolarHBondContact O-N 3.39Å
160	I	98.4	Very high	98	Very high	85 Å²	85	37.3 Å²	37.3	44%	0.436	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-47	173.8	-66.5	172	0	0	0	111.4	P150 H158 V162 G163 R164	P150-I160 HydrophobicContact CB-CB 4.37Å; P150-I160 HydrophobicContact CB-CG2 4.36Å; P150-I160 HydrophobicContact CG-CB 4.28Å; P150-I160 HydrophobicContact CG-CD1 3.81Å; H158-I160 WeakPolarHBondContact ND1-CB 3.49Å; H158-I160 PolarHBondContact ND1-N 3.19Å; H158-I160 PolarHBondContact O-N 3.22Å; H158-I160 VanDerWaalsContact O-N 3.09Å; I160-V162 PolarHBondContact O-N 3.44Å; I160-G163 PolarHBondContact O-N 3.29Å; I160-R164 HydrophobicContact CG2-CG 4.34Å; I160-R164 WeakPolarHBondContact O-CB 3.48Å; I160-R164 VanDerWaalsContact O-CG 3.31Å; I160-R164 WeakPolarHBondContact O-CG 3.28Å; I160-R164 PolarHBondContact O-N 2.93Å
161	N	98.6	Very high	98	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-40.5	178.5	-80.6	-43.2	0	0	0	111.8	P150 D153 H158 M165 S171 M172	P150-N161 PolarHBondContact O-ND2 2.78Å; D153-N161 WeakPolarHBondContact CB-ND2 3.49Å; D153-N161 PolarHBondContact OD2-ND2 3.46Å; H158-N161 PolarHBondContact O-N 3.08Å; N161-M165 VanDerWaalsContact O-CB 3.28Å; N161-M165 WeakPolarHBondContact O-CB 3.4Å; N161-M165 PolarHBondContact O-N 2.84Å; N161-S171 WeakPolarHBondContact O-CB 3.19Å; N161-S171 PolarHBondContact O-OG 3.24Å; N161-M172 PolarHBondContact OD1-N 2.64Å; N161-M172 VanDerWaalsContact OD1-N 3.17Å
162	V	98.3	Very high	98	Very high	25 Å²	25	33.8 Å²	33.8	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-45.1	173.6	174.9	0	0	0	0	111	H158 I160 M165 C166 M207	H158-V162 PolarHBondContact O-N 2.83Å; I160-V162 PolarHBondContact O-N 3.44Å; V162-M165 HydrophobicContact CG1-CE 4.45Å; V162-M165 WeakPolarHBondContact O-CB 3.42Å; V162-M165 PolarHBondContact O-N 2.91Å; V162-C166 WeakPolarHBondContact O-CB 3.46Å; V162-C166 PolarHBondContact O-N 2.97Å; V162-C166 PolarHBondContact O-SG 2.96Å; V162-M207 HydrophobicContact CG1-CE 3.77Å
163	G	98.5	Very high	98	Very high	29 Å²	29	33.7 Å²	33.7	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-61.2	-49.9	178.6	0	0	0	0	0	112.1	V159 I160 M165 C166 L167	V159-G163 PolarHBondContact O-N 3.39Å; I160-G163 PolarHBondContact O-N 3.29Å; G163-M165 VanDerWaalsContact C-N 3.34Å; G163-M165 PolarHBondContact O-N 2.74Å; G163-C166 WeakPolarHBondContact O-CB 3.43Å; G163-C166 PolarHBondContact O-N 3.35Å; G163-C166 VanDerWaalsContact O-N 3.14Å; G163-L167 WeakPolarHBondContact O-CG 3.21Å; G163-L167 PolarHBondContact O-N 2.74Å
164	R	98.5	Very high	98	Very high	41 Å²	41	33.5 Å²	33.5	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-43.5	175.5	-71.5	177	68.2	99.2	17.1	111.6	I160 C166 L167 D168 Q169 Y170 E336	I160-R164 HydrophobicContact CG2-CG 4.34Å; I160-R164 WeakPolarHBondContact O-CB 3.48Å; I160-R164 VanDerWaalsContact O-CG 3.31Å; I160-R164 WeakPolarHBondContact O-CG 3.28Å; I160-R164 PolarHBondContact O-N 2.93Å; R164-C166 VanDerWaalsContact C-N 3.34Å; R164-C166 PolarHBondContact O-N 3.09Å; R164-L167 CarbonylContact O-C 3.54Å; R164-L167 PolarHBondContact O-N 3.27Å; R164-L167 VanDerWaalsContact O-N 3.12Å; R164-D168 PolarHBondContact O-N 2.97Å; R164-Q169 HydrophobicContact CB-CB 4.17Å; R164-Q169 PolarHBondContact O-N 3.45Å; R164-Y170 VanDerWaalsContact CZ-O 3.28Å; R164-Y170 PolarHBondContact NE-O 3.45Å; R164-Y170 PolarHBondContact NH2-O 2.92Å; R164-E336 IonicContact CZ-OE1 3.92Å; R164-E336 IonicContact NH1-OE1 3.61Å; R164-E336 PolarHBondContact NH1-OE1 2.68Å
165	M	98.5	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-43.8	174.3	179.3	-167.9	68.7	0	0	111.8	N161 V162 G163 L167 D168 L173 P174 M207 P208 M211 L212 R221	N161-M165 VanDerWaalsContact O-CB 3.28Å; N161-M165 WeakPolarHBondContact O-CB 3.4Å; N161-M165 PolarHBondContact O-N 2.84Å; V162-M165 HydrophobicContact CG1-CE 4.45Å; V162-M165 WeakPolarHBondContact O-CB 3.42Å; V162-M165 PolarHBondContact O-N 2.91Å; G163-M165 VanDerWaalsContact C-N 3.34Å; G163-M165 PolarHBondContact O-N 2.74Å; M165-L167 PolarHBondContact O-N 3.08Å; M165-D168 PolarHBondContact O-N 3.25Å; M165-L173 HydrophobicContact CB-CD2 4.3Å; M165-L173 HydrophobicContact CG-CD2 3.8Å; M165-L173 HydrophobicContact SD-CD2 4.2Å; M165-P174 HydrophobicContact SD-CG 4.44Å; M165-M207 HydrophobicContact CE-CE 4.27Å; M165-M207 HydrophobicContact CE-SD 4.13Å; M165-P208 HydrophobicContact CE-CB 3.71Å; M165-P208 HydrophobicContact CE-CG 4Å; M165-P208 HydrophobicContact SD-CB 3.73Å; M165-P208 HydrophobicContact SD-CG 4.5Å; M165-M211 HydrophobicContact CE-CB 4.29Å; M165-M211 HydrophobicContact CE-CG 4.36Å; M165-M211 HydrophobicContact CG-CG 4.44Å; M165-L212 HydrophobicContact CG-CD2 4.41Å; M165-R221 PolarHBondContact O-NH2 3.44Å
166	C	98.4	Very high	98.1	Very high	47 Å²	47	34.2 Å²	34.2	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-68.7	-18.4	178.1	-67.9	0	0	0	0	113.9	V162 G163 R164 M211	V162-C166 WeakPolarHBondContact O-CB 3.46Å; V162-C166 PolarHBondContact O-N 2.97Å; V162-C166 PolarHBondContact O-SG 2.96Å; G163-C166 WeakPolarHBondContact O-CB 3.43Å; G163-C166 PolarHBondContact O-N 3.35Å; G163-C166 VanDerWaalsContact O-N 3.14Å; R164-C166 VanDerWaalsContact C-N 3.34Å; R164-C166 PolarHBondContact O-N 3.09Å; C166-M211 HydrophobicContact CB-CE 4.16Å; C166-M211 HydrophobicContact CB-SD 4.32Å
167	L	98.4	Very high	98.2	Very high	123 Å²	123	34.3 Å²	34.3	64%	0.644	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	12.3	176.4	-64.6	176.5	0	0	0	112.3	G163 R164 M165 Q169	G163-L167 WeakPolarHBondContact O-CG 3.21Å; G163-L167 PolarHBondContact O-N 2.74Å; R164-L167 CarbonylContact O-C 3.54Å; R164-L167 PolarHBondContact O-N 3.27Å; R164-L167 VanDerWaalsContact O-N 3.12Å; M165-L167 PolarHBondContact O-N 3.08Å; L167-Q169 HydrophobicContact CB-CG 4.2Å; L167-Q169 PolarHBondContact O-N 3.1Å
168	D	97.6	Very high	98.2	Very high	15 Å²	15	34.3 Å²	34.3	8%	0.08	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	30	-179.7	-53.4	-30.9	0	0	0	114.5	R164 M165 T215 H219 R221	R164-D168 PolarHBondContact O-N 2.97Å; M165-D168 PolarHBondContact O-N 3.25Å; D168-T215 WeakPolarHBondContact OD1-CB 3.45Å; D168-T215 WeakPolarHBondContact OD1-CG2 3.49Å; D168-T215 PolarHBondContact OD1-OG1 3.29Å; D168-T215 WeakPolarHBondContact OD2-CB 3.23Å; D168-T215 WeakPolarHBondContact OD2-CG2 3.43Å; D168-H219 HydrophobicContact CB-CB 3.55Å; D168-H219 WeakPolarHBondContact CB-ND1 2.94Å; D168-H219 IonicContact OD2-CE1 3.61Å; D168-H219 PolarHBondContact OD2-CE1 3.42Å; D168-H219 IonicContact OD2-CG 3.6Å; D168-H219 IonicContact OD2-ND1 2.74Å; D168-H219 PolarHBondContact OD2-ND1 3.12Å; D168-R221 WeakPolarHBondContact O-CB 3.4Å; D168-R221 PolarHBondContact O-N 3.14Å; D168-R221 IonicContact OD1-CZ 3.72Å; D168-R221 IonicContact OD1-NH1 2.87Å; D168-R221 IonicContact OD1-NH2 2.75Å; D168-R221 PolarHBondContact OD1-NH2 3.37Å
169	Q	98	Very high	98.2	Very high	68 Å²	68	33.5 Å²	33.5	32%	0.318	18%	0.18	S	C	.	.			trans	-96.8	160.6	174.2	-60	-179.2	-54.3	0	0	110.4	R164 L167 S171	R164-Q169 HydrophobicContact CB-CB 4.17Å; R164-Q169 PolarHBondContact O-N 3.45Å; L167-Q169 HydrophobicContact CB-CG 4.2Å; L167-Q169 PolarHBondContact O-N 3.1Å; Q169-S171 PolarHBondContact O-N 2.88Å
170	Y	96.4	Very high	98.2	Very high	92 Å²	92	29.7 Å²	29.7	36%	0.361	16%	0.157	S	C	.	.			trans	-60.5	132.4	173.8	-63.4	-58.9	0	0	0	110.9	R164 E220 R221 E335	R164-Y170 VanDerWaalsContact CZ-O 3.28Å; R164-Y170 PolarHBondContact NE-O 3.45Å; R164-Y170 PolarHBondContact NH2-O 2.92Å; Y170-E220 HydrophobicContact CD2-CG 3.45Å; Y170-E220 VanDerWaalsContact CD2-CG 3.45Å; Y170-E220 WeakPolarHBondContact CD2-OE1 2.95Å; Y170-E220 HydrophobicContact CE1-CG 4.45Å; Y170-E220 WeakPolarHBondContact CE1-O 3.1Å; Y170-E220 HydrophobicContact CE2-CG 3.35Å; Y170-E220 HydrophobicContact CG-CG 4.08Å; Y170-E220 PolarHBondContact N-OE1 2.85Å; Y170-E220 PolarHBondContact OH-O 3.44Å; Y170-R221 HydrophobicContact CD1-CB 4.22Å; Y170-E335 WeakPolarHBondContact CD2-OE2 3.47Å; Y170-E335 WeakPolarHBondContact CE2-OE1 3.47Å
171	S	97.5	Very high	98.3	Very high	13 Å²	13	26.8 Å²	26.8	9%	0.091	14%	0.14	C	C	.	.			trans	-155.6	167.5	177.2	71.4	0	0	0	0	110.7	N161 Q169 L173	N161-S171 WeakPolarHBondContact O-CB 3.19Å; N161-S171 PolarHBondContact O-OG 3.24Å; Q169-S171 PolarHBondContact O-N 2.88Å; S171-L173 PolarHBondContact O-N 3.15Å; S171-L173 VanDerWaalsContact O-N 3.09Å
172	M	98.1	Very high	98.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.142	C	C	.	.			trans	-68.8	106.4	165.6	-63.4	-61.8	-169.9	0	0	108.6	D153 G156 N161 N323 I326 A327 L332	D153-M172 WeakPolarHBondContact O-CB 3.5Å; D153-M172 WeakPolarHBondContact O-CG 3.37Å; G156-M172 WeakPolarHBondContact CA-O 3.4Å; N161-M172 PolarHBondContact OD1-N 2.64Å; N161-M172 VanDerWaalsContact OD1-N 3.17Å; M172-N323 HydrophobicContact SD-CB 4.41Å; M172-I326 HydrophobicContact CE-CG2 3.99Å; M172-I326 HydrophobicContact SD-CG2 3.95Å; M172-A327 HydrophobicContact CE-CB 3.51Å; M172-L332 HydrophobicContact CE-CD1 3.96Å; M172-L332 HydrophobicContact CG-CD1 4.02Å; M172-L332 HydrophobicContact SD-CD1 3.88Å
173	L	98.3	Very high	98.3	Very high	12 Å²	12	26 Å²	26	6%	0.063	14%	0.135	C	C	.	.			trans	-73.6	140.3	178.9	-64.3	-175.8	0	0	0	110.2	M165 S171 A175 W178 W181 L212 N323	M165-L173 HydrophobicContact CB-CD2 4.3Å; M165-L173 HydrophobicContact CG-CD2 3.8Å; M165-L173 HydrophobicContact SD-CD2 4.2Å; S171-L173 PolarHBondContact O-N 3.15Å; S171-L173 VanDerWaalsContact O-N 3.09Å; L173-A175 PolarHBondContact O-N 3.49Å; L173-W178 HydrophobicContact CB-CB 4.01Å; L173-W178 HydrophobicContact CB-CD2 4.29Å; L173-W178 HydrophobicContact CB-CE3 4.35Å; L173-W178 HydrophobicContact CB-CG 4.19Å; L173-W178 HydrophobicContact CD1-CB 4.39Å; L173-W178 HydrophobicContact CD1-CD2 4.21Å; L173-W178 HydrophobicContact CD1-CG 3.96Å; L173-W181 HydrophobicContact CD1-CE3 4.48Å; L173-W181 HydrophobicContact CD1-CZ3 4.23Å; L173-L212 HydrophobicContact CD1-CD1 4.49Å; L173-L212 HydrophobicContact CD1-CD2 3.96Å; L173-L212 HydrophobicContact CD2-CD2 3.88Å; L173-N323 PolarHBondContact O-ND2 2.88Å
174	P	98.4	Very high	98.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.121	C	C	.	.			trans	-62.9	134.2	175.6	-16.1	26.6	0	0	0	111.7	D155 F157 M165 T176 P177 W178 P208	D155-P174 VanDerWaalsContact O-CA 3.24Å; D155-P174 WeakPolarHBondContact O-CA 3.4Å; D155-P174 WeakPolarHBondContact O-CB 3.46Å; F157-P174 HydrophobicContact CD1-CB 4.34Å; F157-P174 HydrophobicContact CE1-CB 3.92Å; M165-P174 HydrophobicContact SD-CG 4.44Å; P174-T176 PolarHBondContact O-N 2.83Å; P174-P177 HydrophobicContact CB-CG 3.89Å; P174-P177 HydrophobicContact CG-CG 4.42Å; P174-P177 VanDerWaalsContact O-CD 3.22Å; P174-P177 WeakPolarHBondContact O-CD 3.39Å; P174-W178 PolarHBondContact O-N 3.17Å; P174-P208 HydrophobicContact CG-CB 4.09Å; P174-P208 HydrophobicContact CG-CG 4.03Å
175	A	97.7	Very high	98.3	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-39.2	-163.5	0	0	0	0	0	114	L173 G179 T316 M319 L320	L173-A175 PolarHBondContact O-N 3.49Å; A175-G179 PolarHBondContact O-N 3.09Å; A175-T316 HydrophobicContact CB-CG2 4.2Å; A175-T316 WeakPolarHBondContact CB-O 3.42Å; A175-M319 HydrophobicContact CB-CB 4.13Å; A175-L320 HydrophobicContact CB-CB 4.3Å
176	T	98.1	Very high	98.3	Very high	27 Å²	27	31.3 Å²	31.3	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-53.2	176.8	-64.1	0	0	0	0	111.9	P174 W178 G179 V180 V205 V274 V312 T316	P174-T176 PolarHBondContact O-N 2.83Å; T176-W178 VanDerWaalsContact C-N 3.31Å; T176-W178 PolarHBondContact O-N 3.17Å; T176-G179 PolarHBondContact O-N 2.94Å; T176-G179 VanDerWaalsContact O-N 3.14Å; T176-V180 WeakPolarHBondContact O-CG2 3.45Å; T176-V180 PolarHBondContact O-N 3.27Å; T176-V205 HydrophobicContact CG2-CG1 3.95Å; T176-V205 HydrophobicContact CG2-CG2 4.17Å; T176-V274 HydrophobicContact CG2-CG1 3.51Å; T176-V312 HydrophobicContact CG2-CG1 3.95Å; T176-T316 WeakPolarHBondContact OG1-CG2 3.22Å; T176-T316 PolarHBondContact OG1-OG1 3.12Å
177	P	98.8	Very high	98.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-51.2	-45.8	171.8	-31	34.7	0	0	0	114.5	P174 G179 V180 W181 N204 P208 I209 L212	P174-P177 HydrophobicContact CB-CG 3.89Å; P174-P177 HydrophobicContact CG-CG 4.42Å; P174-P177 VanDerWaalsContact O-CD 3.22Å; P174-P177 WeakPolarHBondContact O-CD 3.39Å; P177-G179 VanDerWaalsContact C-N 3.35Å; P177-V180 PolarHBondContact O-N 3.32Å; P177-W181 PolarHBondContact O-N 3.07Å; P177-W181 VanDerWaalsContact O-N 3.07Å; P177-N204 WeakPolarHBondContact CG-O 3.24Å; P177-P208 HydrophobicContact CB-CB 3.75Å; P177-P208 HydrophobicContact CG-CB 3.49Å; P177-P208 VanDerWaalsContact CG-CB 3.49Å; P177-P208 HydrophobicContact CG-CG 4.09Å; P177-I209 HydrophobicContact CB-CG1 3.8Å; P177-I209 HydrophobicContact CG-CG1 4.08Å; P177-L212 HydrophobicContact CB-CD1 3.9Å
178	W	98.8	Very high	98.3	Very high	31 Å²	31	27.8 Å²	27.8	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-39.3	178.2	-167	13	0	0	0	111.5	L173 P174 T176 V180 W181 E182 M319 K322 N323 I326	L173-W178 HydrophobicContact CB-CB 4.01Å; L173-W178 HydrophobicContact CB-CD2 4.29Å; L173-W178 HydrophobicContact CB-CE3 4.35Å; L173-W178 HydrophobicContact CB-CG 4.19Å; L173-W178 HydrophobicContact CD1-CB 4.39Å; L173-W178 HydrophobicContact CD1-CD2 4.21Å; L173-W178 HydrophobicContact CD1-CG 3.96Å; P174-W178 PolarHBondContact O-N 3.17Å; T176-W178 VanDerWaalsContact C-N 3.31Å; T176-W178 PolarHBondContact O-N 3.17Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.98Å; W178-W181 PolarHBondContact O-N 3.15Å; W178-W181 VanDerWaalsContact O-N 3.15Å; W178-E182 PolarHBondContact NE1-OE1 3.43Å; W178-E182 WeakPolarHBondContact O-CG 3.46Å; W178-E182 PolarHBondContact O-N 3.34Å; W178-M319 HydrophobicContact CB-CG 4.34Å; W178-M319 HydrophobicContact CD2-CE 3.17Å; W178-M319 HydrophobicContact CD2-CG 4.48Å; W178-M319 HydrophobicContact CE3-CB 4.1Å; W178-M319 HydrophobicContact CE3-CE 3.35Å; W178-M319 HydrophobicContact CE3-CG 4.49Å; W178-M319 HydrophobicContact CG-CE 3.76Å; W178-M319 HydrophobicContact CG-CG 4.42Å; W178-M319 HydrophobicContact CH2-CE 3.66Å; W178-M319 HydrophobicContact CZ2-CE 3.48Å; W178-M319 VanDerWaalsContact CZ2-CE 3.48Å; W178-M319 HydrophobicContact CZ3-CE 3.57Å; W178-K322 HydrophobicContact CH2-CB 4.08Å; W178-K322 HydrophobicContact CH2-CG 3.41Å; W178-K322 VanDerWaalsContact CH2-CG 3.41Å; W178-K322 HydrophobicContact CZ2-CG 4.3Å; W178-K322 HydrophobicContact CZ3-CB 3.98Å; W178-K322 HydrophobicContact CZ3-CG 3.83Å; W178-N323 WeakPolarHBondContact CZ3-OD1 3.45Å; W178-I326 HydrophobicContact CH2-CD1 3.75Å; W178-I326 HydrophobicContact CZ3-CD1 4.16Å
179	G	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-37.9	175	0	0	0	0	0	113.5	A175 T176 P177 E182 I183	A175-G179 PolarHBondContact O-N 3.09Å; T176-G179 PolarHBondContact O-N 2.94Å; T176-G179 VanDerWaalsContact O-N 3.14Å; P177-G179 VanDerWaalsContact C-N 3.35Å; G179-E182 PolarHBondContact O-N 2.93Å; G179-I183 WeakPolarHBondContact O-CG1 3.38Å; G179-I183 PolarHBondContact O-N 2.88Å
180	V	98.9	Very high	98.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-45.1	172.1	166.1	0	0	0	0	110.8	T176 P177 W178 I183 I184 I209 I251 I272 V274 V312	T176-V180 WeakPolarHBondContact O-CG2 3.45Å; T176-V180 PolarHBondContact O-N 3.27Å; P177-V180 PolarHBondContact O-N 3.32Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 2.98Å; V180-I183 WeakPolarHBondContact O-CB 3.06Å; V180-I183 PolarHBondContact O-N 3.37Å; V180-I184 HydrophobicContact CG1-CD1 4.16Å; V180-I184 WeakPolarHBondContact O-CG1 3.24Å; V180-I184 PolarHBondContact O-N 3.28Å; V180-I184 VanDerWaalsContact O-N 3.15Å; V180-I209 HydrophobicContact CB-CD1 4.35Å; V180-I209 HydrophobicContact CB-CG1 4.44Å; V180-I209 HydrophobicContact CG1-CD1 4.39Å; V180-I209 HydrophobicContact CG1-CG1 4.46Å; V180-I209 HydrophobicContact CG1-CG2 4.43Å; V180-I209 HydrophobicContact CG2-CD1 4Å; V180-I251 HydrophobicContact CG1-CD1 3.94Å; V180-I251 HydrophobicContact CG1-CG2 4.33Å; V180-I272 HydrophobicContact CG1-CG2 4.13Å; V180-I272 HydrophobicContact CG2-CG2 4.16Å; V180-V274 HydrophobicContact CG2-CG2 3.75Å; V180-V312 HydrophobicContact CG2-CG1 3.77Å; V180-V312 HydrophobicContact CG2-CG2 4.15Å
181	W	98.8	Very high	98.5	Very high	23 Å²	23	25.2 Å²	25.2	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-38.1	179.2	-168.2	24	0	0	0	112.4	L173 P177 W178 I184 K185 L212 P222	L173-W181 HydrophobicContact CD1-CE3 4.48Å; L173-W181 HydrophobicContact CD1-CZ3 4.23Å; P177-W181 PolarHBondContact O-N 3.07Å; P177-W181 VanDerWaalsContact O-N 3.07Å; W178-W181 PolarHBondContact O-N 3.15Å; W178-W181 VanDerWaalsContact O-N 3.15Å; W181-I184 PolarHBondContact O-N 3.35Å; W181-K185 HydrophobicContact CZ2-CD 4.42Å; W181-K185 WeakPolarHBondContact O-CG 3.12Å; W181-K185 PolarHBondContact O-N 3.26Å; W181-L212 HydrophobicContact CD2-CB 4.48Å; W181-L212 HydrophobicContact CE3-CB 4.3Å; W181-L212 HydrophobicContact CE3-CD1 4.09Å; W181-L212 HydrophobicContact CE3-CD2 4.01Å; W181-L212 HydrophobicContact CE3-CG 4.36Å; W181-L212 HydrophobicContact CZ3-CD2 3.95Å; W181-P222 WeakPolarHBondContact CH2-O 3.21Å; W181-P222 WeakPolarHBondContact CZ2-O 3.24Å
182	E	98.9	Very high	98.5	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-39.7	172.5	-75.3	-61.7	130.9	0	0	112.4	I49 W178 G179 I184 K185 R186 M315 M319	I49-E182 HydrophobicContact CD1-CB 4.5Å; W178-E182 PolarHBondContact NE1-OE1 3.43Å; W178-E182 WeakPolarHBondContact O-CG 3.46Å; W178-E182 PolarHBondContact O-N 3.34Å; G179-E182 PolarHBondContact O-N 2.93Å; E182-I184 VanDerWaalsContact C-N 3.32Å; E182-I184 PolarHBondContact O-N 2.85Å; E182-K185 PolarHBondContact O-N 2.83Å; E182-K185 WeakPolarHBondContact OE1-CE 3.34Å; E182-K185 IonicContact OE1-NZ 3.21Å; E182-K185 PolarHBondContact OE1-NZ 3.14Å; E182-R186 VanDerWaalsContact O-CB 3.27Å; E182-R186 WeakPolarHBondContact O-CB 3.49Å; E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.43Å; E182-R186 PolarHBondContact O-N 3.43Å; E182-R186 IonicContact OE2-CZ 2.9Å; E182-R186 IonicContact OE2-NE 3.68Å; E182-R186 PolarHBondContact OE2-NE 3.4Å; E182-R186 IonicContact OE2-NH2 3.86Å; E182-M315 HydrophobicContact CB-CE 3.62Å; E182-M319 HydrophobicContact CB-SD 4.49Å; E182-M319 HydrophobicContact CG-CE 3.73Å; E182-M319 HydrophobicContact CG-SD 3.86Å
183	I	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.4	-50.3	171.8	-77.3	162.3	0	0	0	110.3	I40 L45 G179 V180 T187 I272 T306 V312 M315	I40-I183 HydrophobicContact CD1-CG2 3.96Å; I40-I183 HydrophobicContact CG2-CG2 4Å; L45-I183 HydrophobicContact CD1-CB 4.5Å; L45-I183 HydrophobicContact CD1-CG1 4.05Å; G179-I183 WeakPolarHBondContact O-CG1 3.38Å; G179-I183 PolarHBondContact O-N 2.88Å; V180-I183 WeakPolarHBondContact O-CB 3.06Å; V180-I183 PolarHBondContact O-N 3.37Å; I183-T187 WeakPolarHBondContact O-CB 3.27Å; I183-T187 PolarHBondContact O-N 3.12Å; I183-T187 VanDerWaalsContact O-N 3.1Å; I183-T187 PolarHBondContact O-OG1 2.95Å; I183-I272 HydrophobicContact CG2-CD1 3.87Å; I183-T306 HydrophobicContact CD1-CG2 4.28Å; I183-T306 HydrophobicContact CG2-CG2 4.14Å; I183-V312 HydrophobicContact CD1-CG2 3.93Å; I183-M315 HydrophobicContact CD1-CB 4.41Å; I183-M315 HydrophobicContact CD1-CG 3.74Å; I183-M315 HydrophobicContact CG1-CE 4.14Å; I183-M315 HydrophobicContact CG1-CG 3.8Å; I183-M315 HydrophobicContact CG1-SD 4.38Å
184	I	98.8	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-51.1	-178.1	-67.9	167.6	0	0	0	110.4	V180 W181 E182 T187 G188 I189 T191 L213 I249 I251 I272	V180-I184 HydrophobicContact CG1-CD1 4.16Å; V180-I184 WeakPolarHBondContact O-CG1 3.24Å; V180-I184 PolarHBondContact O-N 3.28Å; V180-I184 VanDerWaalsContact O-N 3.15Å; W181-I184 PolarHBondContact O-N 3.35Å; E182-I184 VanDerWaalsContact C-N 3.32Å; E182-I184 PolarHBondContact O-N 2.85Å; I184-T187 PolarHBondContact O-N 3.06Å; I184-G188 PolarHBondContact O-N 3.42Å; I184-I189 HydrophobicContact CG2-CB 4.01Å; I184-I189 HydrophobicContact CG2-CG2 4.27Å; I184-I189 WeakPolarHBondContact CG2-O 3.08Å; I184-I189 PolarHBondContact O-N 2.96Å; I184-I189 VanDerWaalsContact O-N 3.08Å; I184-T191 HydrophobicContact CG2-CG2 3.52Å; I184-L213 HydrophobicContact CD1-CD1 4.32Å; I184-L213 HydrophobicContact CD1-CD2 4.05Å; I184-I249 HydrophobicContact CD1-CG2 4.46Å; I184-I249 HydrophobicContact CG2-CD1 4.47Å; I184-I251 HydrophobicContact CD1-CD1 4.3Å; I184-I272 HydrophobicContact CG1-CG1 4.43Å
185	K	98.5	Very high	98.6	Very high	98 Å²	98	39 Å²	39	43%	0.426	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-51.9	-178.4	-72.2	-170.4	-58.7	172.8	0	112.6	W181 E182 T187 G188	W181-K185 HydrophobicContact CZ2-CD 4.42Å; W181-K185 WeakPolarHBondContact O-CG 3.12Å; W181-K185 PolarHBondContact O-N 3.26Å; E182-K185 PolarHBondContact O-N 2.83Å; E182-K185 WeakPolarHBondContact OE1-CE 3.34Å; E182-K185 IonicContact OE1-NZ 3.21Å; E182-K185 PolarHBondContact OE1-NZ 3.14Å; K185-T187 PolarHBondContact O-N 2.79Å; K185-G188 PolarHBondContact O-N 3.07Å
186	R	98.6	Very high	98.7	Very high	83 Å²	83	39 Å²	39	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-68.6	-22.6	-176.8	-65.7	-178.3	178.6	-117	-2.8	112.8	L45 I49 E52 E182 G188	L45-R186 HydrophobicContact CD2-CB 3.89Å; I49-R186 VanDerWaalsContact CG1-CZ 3.42Å; E52-R186 IonicContact OE1-CZ 3.05Å; E52-R186 IonicContact OE1-NH1 3.49Å; E52-R186 PolarHBondContact OE1-NH1 2.8Å; E52-R186 IonicContact OE1-NH2 3.77Å; E52-R186 PolarHBondContact OE1-NH2 3.47Å; E52-R186 IonicContact OE2-CZ 3.99Å; E52-R186 IonicContact OE2-NH1 3.74Å; E52-R186 IonicContact OE2-NH2 2.86Å; E52-R186 PolarHBondContact OE2-NH2 2.93Å; E182-R186 VanDerWaalsContact O-CB 3.27Å; E182-R186 WeakPolarHBondContact O-CB 3.49Å; E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.43Å; E182-R186 PolarHBondContact O-N 3.43Å; E182-R186 IonicContact OE2-CZ 2.9Å; E182-R186 IonicContact OE2-NE 3.68Å; E182-R186 PolarHBondContact OE2-NE 3.4Å; E182-R186 IonicContact OE2-NH2 3.86Å; R186-G188 VanDerWaalsContact C-N 3.33Å
187	T	98.2	Very high	98.7	Very high	37 Å²	37	37.9 Å²	37.9	23%	0.227	22%	0.217	C	C	.	.	H	α-helix	trans	-83.3	-10.8	172.8	-50.5	0	0	0	0	112.5	I40 I183 I184 K185 I189 Y304	I40-T187 HydrophobicContact CD1-CG2 4.08Å; I40-T187 HydrophobicContact CG1-CG2 4.18Å; I183-T187 WeakPolarHBondContact O-CB 3.27Å; I183-T187 PolarHBondContact O-N 3.12Å; I183-T187 VanDerWaalsContact O-N 3.1Å; I183-T187 PolarHBondContact O-OG1 2.95Å; I184-T187 PolarHBondContact O-N 3.06Å; K185-T187 PolarHBondContact O-N 2.79Å; T187-I189 HydrophobicContact CG2-CD1 3.84Å; T187-I189 HydrophobicContact CG2-CG1 3.98Å; T187-Y304 HydrophobicContact CG2-CD1 3.65Å; T187-Y304 HydrophobicContact CG2-CE1 3.58Å
188	G	98.3	Very high	98.7	Very high	59 Å²	59	37.8 Å²	37.8	61%	0.608	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	25.3	-178.5	0	0	0	0	0	113.8	I184 K185 R186 P190	I184-G188 PolarHBondContact O-N 3.42Å; K185-G188 PolarHBondContact O-N 3.07Å; R186-G188 VanDerWaalsContact C-N 3.33Å; G188-P190 WeakPolarHBondContact O-CD 3.27Å
189	I	98.6	Very high	98.7	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.082	21%	0.212	C	C	.	.			trans	-80.1	117.7	177.7	-63.1	162.8	0	0	0	108	I40 I184 T187 I249 A270 Y304	I40-I189 HydrophobicContact CD1-CD1 4.18Å; I184-I189 HydrophobicContact CG2-CB 4.01Å; I184-I189 HydrophobicContact CG2-CG2 4.27Å; I184-I189 WeakPolarHBondContact CG2-O 3.08Å; I184-I189 PolarHBondContact O-N 2.96Å; I184-I189 VanDerWaalsContact O-N 3.08Å; T187-I189 HydrophobicContact CG2-CD1 3.84Å; T187-I189 HydrophobicContact CG2-CG1 3.98Å; I189-I249 HydrophobicContact CG2-CD1 3.83Å; I189-I249 HydrophobicContact CG2-CG1 4.2Å; I189-A270 HydrophobicContact CD1-CB 3.83Å; I189-A270 HydrophobicContact CG2-CB 4.08Å; I189-Y304 HydrophobicContact CD1-CD1 4.39Å; I189-Y304 HydrophobicContact CD1-CD2 4.11Å; I189-Y304 HydrophobicContact CD1-CG 3.98Å; I189-Y304 HydrophobicContact CG1-CD2 4.07Å; I189-Y304 HydrophobicContact CG1-CE2 4.16Å; I189-Y304 HydrophobicContact CG1-CG 4.35Å
190	P	98.5	Very high	98.7	Very high	81 Å²	81	36.7 Å²	36.7	53%	0.526	22%	0.215	S	C	.	.			trans	-68.8	140.9	-178.6	28.5	-34.5	0	0	0	111	G188 K194	G188-P190 WeakPolarHBondContact O-CD 3.27Å; P190-K194 VanDerWaalsContact O-CG 3.26Å; P190-K194 WeakPolarHBondContact O-CG 3.5Å
191	T	98.9	Very high	98.6	Very high	24 Å²	24	42.4 Å²	42.4	15%	0.147	24%	0.236	C	C	.	.			trans	-111.1	-32.8	176.2	55.2	0	0	0	0	113	I184 G193 K194 L213 G224 A226 I249	I184-T191 HydrophobicContact CG2-CG2 3.52Å; T191-G193 PolarHBondContact O-N 2.81Å; T191-K194 VanDerWaalsContact O-CB 3.3Å; T191-K194 WeakPolarHBondContact O-CB 3.1Å; T191-K194 PolarHBondContact O-N 2.9Å; T191-L213 HydrophobicContact CG2-CD2 4.12Å; T191-G224 CarbonylContact C-O 3.57Å; T191-G224 WeakPolarHBondContact CB-O 3.28Å; T191-G224 WeakPolarHBondContact OG1-CA 3.31Å; T191-G224 PolarHBondContact OG1-O 3.33Å; T191-A226 WeakPolarHBondContact O-CB 3.44Å; T191-I249 HydrophobicContact CG2-CD1 4.11Å
192	L	98.7	Very high	98.5	Very high	126 Å²	126	43.5 Å²	43.5	66%	0.66	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	123.2	-177.6	-177.1	154.2	0	0	0	111.3	K194 G224 D225	L192-K194 PolarHBondContact O-N 3.05Å; L192-G224 WeakPolarHBondContact CA-O 3.32Å; L192-G224 PolarHBondContact N-O 3.14Å; L192-G224 VanDerWaalsContact N-O 3.17Å; L192-D225 HydrophobicContact CB-CB 4.04Å; L192-D225 HydrophobicContact CD1-CB 4.25Å; L192-D225 HydrophobicContact CG-CB 3.85Å
193	G	98.4	Very high	98.3	Very high	55 Å²	55	49.1 Å²	49.1	57%	0.567	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	13.6	-179.5	0	0	0	0	0	114.6	T191 D225	T191-G193 PolarHBondContact O-N 2.81Å; G193-D225 PolarHBondContact N-O 3.23Å
194	K	98.8	Very high	97.9	Very high	73 Å²	73	52.2 Å²	52.2	32%	0.317	29%	0.288	S	S	.	.			trans	-92.5	151.8	179.3	-60.5	-47.3	-176.4	-176.3	0	112.3	P190 T191 L192 T227 D248	P190-K194 VanDerWaalsContact O-CG 3.26Å; P190-K194 WeakPolarHBondContact O-CG 3.5Å; T191-K194 VanDerWaalsContact O-CB 3.3Å; T191-K194 WeakPolarHBondContact O-CB 3.1Å; T191-K194 PolarHBondContact O-N 2.9Å; L192-K194 PolarHBondContact O-N 3.05Å; K194-T227 PolarHBondContact O-N 3.28Å; K194-D248 WeakPolarHBondContact CA-OD2 3.03Å; K194-D248 HydrophobicContact CB-CB 4.01Å; K194-D248 HydrophobicContact CD-CB 4.38Å; K194-D248 HydrophobicContact CG-CB 4.41Å
195	N	98.9	Very high	97.9	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	173.4	-68	-27.6	0	0	0	109.8	L246 A247 D248 I249	N195-L246 WeakPolarHBondContact CB-O 3.47Å; N195-L246 PolarHBondContact ND2-O 3.49Å; N195-L246 VanDerWaalsContact ND2-O 3.15Å; N195-A247 CarbonylContact O-C 3.59Å; N195-A247 WeakPolarHBondContact O-CA 3.17Å; N195-D248 PolarHBondContact N-OD2 2.96Å; N195-D248 PolarHBondContact O-N 2.86Å; N195-I249 PolarHBondContact O-N 2.83Å; N195-I249 VanDerWaalsContact O-N 3.12Å
196	V	98.9	Very high	97.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.5	178	177	0	0	0	0	109.3	V198 L213 A226 T227 V228 T229 I249 I251	V196-V198 HydrophobicContact CG1-CG2 4.16Å; V196-L213 HydrophobicContact CG1-CD1 3.94Å; V196-A226 HydrophobicContact CB-CB 4.39Å; V196-A226 HydrophobicContact CG2-CB 3.51Å; V196-T227 PolarHBondContact N-O 3.31Å; V196-V228 HydrophobicContact CB-CG2 3.99Å; V196-V228 HydrophobicContact CG1-CG1 4.47Å; V196-V228 HydrophobicContact CG1-CG2 4.32Å; V196-V228 CarbonylContact O-C 3.18Å; V196-V228 WeakPolarHBondContact O-CA 3.42Å; V196-T229 PolarHBondContact O-N 2.9Å; V196-I249 CarbonylContact C-O 3.6Å; V196-I249 VanDerWaalsContact CA-O 3.3Å; V196-I249 WeakPolarHBondContact CA-O 3.27Å; V196-I249 HydrophobicContact CG2-CB 4.09Å; V196-I249 HydrophobicContact CG2-CD1 4.2Å; V196-I249 HydrophobicContact CG2-CG1 4.4Å; V196-I251 HydrophobicContact CG1-CD1 4.17Å
197	V	98.9	Very high	97.9	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.4	167.7	174.3	0	0	0	0	109.6	T229 L240 H243 T244 A247 I249 I251	V197-T229 WeakPolarHBondContact CA-O 3.39Å; V197-L240 HydrophobicContact CG1-CD1 4.4Å; V197-H243 HydrophobicContact CG2-CB 3.89Å; V197-T244 HydrophobicContact CB-CG2 4.19Å; V197-T244 HydrophobicContact CG1-CG2 3.8Å; V197-T244 HydrophobicContact CG2-CG2 4.41Å; V197-A247 HydrophobicContact CB-CB 4.25Å; V197-A247 HydrophobicContact CG2-CB 3.8Å; V197-I249 PolarHBondContact N-O 3.13Å; V197-I251 PolarHBondContact O-N 3.02Å
198	V	98.9	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.2	170.9	-173.1	0	0	0	0	108.9	V196 G200 I209 A210 V228 T229 S231 I251	V196-V198 HydrophobicContact CG1-CG2 4.16Å; V198-G200 PolarHBondContact O-N 3.32Å; V198-I209 HydrophobicContact CG1-CG2 4.28Å; V198-I209 HydrophobicContact CG2-CG2 3.86Å; V198-A210 HydrophobicContact CG2-CB 4.27Å; V198-V228 HydrophobicContact CG2-CG1 3.99Å; V198-T229 PolarHBondContact N-O 2.85Å; V198-S231 PolarHBondContact O-N 2.9Å; V198-S231 PolarHBondContact O-OG 3.47Å; V198-I251 CarbonylContact C-O 3.46Å; V198-I251 WeakPolarHBondContact CA-O 3.48Å; V198-I251 HydrophobicContact CG2-CB 4.5Å
199	A	98.8	Very high	97.9	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	92.1	174.9	0	0	0	0	0	110.2	S231 L240 I251 A253 A254 L259	A199-S231 VanDerWaalsContact CA-OG 3.28Å; A199-S231 WeakPolarHBondContact CA-OG 3.32Å; A199-L240 HydrophobicContact CB-CD1 4.43Å; A199-I251 PolarHBondContact N-O 3Å; A199-A253 CarbonylContact O-C 3.59Å; A199-A253 WeakPolarHBondContact O-CA 3.42Å; A199-A253 PolarHBondContact O-N 2.95Å; A199-A254 PolarHBondContact O-N 3.4Å; A199-L259 HydrophobicContact CB-CD2 4.47Å
200	G	97.9	Very high	97.9	Very high	6 Å²	6	41 Å²	41	6%	0.062	22%	0.224	C	C	.	.			trans	137.4	139	-172.8	0	0	0	0	0	110.7	V198 G206 S231	V198-G200 PolarHBondContact O-N 3.32Å; G200-G206 WeakPolarHBondContact O-CA 3.33Å; G200-S231 CarbonylContact C-O 3.06Å; G200-S231 PolarHBondContact N-O 2.94Å
201	R	97.7	Very high	97.9	Very high	120 Å²	120	38.9 Å²	38.9	45%	0.453	21%	0.208	S	C	.	.			trans	-130.2	21.2	-178.5	69.6	174.9	179.7	-175.4	5.9	113.5	I230 H232	R201-I230 HydrophobicContact CB-CG2 3.97Å; R201-H232 HydrophobicContact CB-CB 4.42Å; R201-H232 HydrophobicContact CG-CB 3.74Å; R201-H232 PolarHBondContact NH1-CD2 2.94Å; R201-H232 VanDerWaalsContact NH1-CD2 3.33Å; R201-H232 PolarHBondContact NH1-CE1 2.95Å; R201-H232 PolarHBondContact NH1-NE2 3.09Å; R201-H232 VanDerWaalsContact NH1-NE2 3.14Å
202	S	95.9	Very high	97.9	Very high	47 Å²	47	37.8 Å²	37.8	33%	0.329	20%	0.201	S	C	.	.			trans	-59.2	149.5	178.2	70.1	0	0	0	0	110	N204 V205 G206 M207	S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 WeakPolarHBondContact CB-OD1 3.49Å; S202-N204 PolarHBondContact O-N 3.13Å; S202-N204 PolarHBondContact OG-OD1 3.08Å; S202-V205 WeakPolarHBondContact OG-CB 3.43Å; S202-V205 PolarHBondContact OG-N 3.37Å; S202-G206 PolarHBondContact O-N 3.38Å; S202-G206 PolarHBondContact OG-N 3.19Å; S202-M207 PolarHBondContact O-N 2.73Å
203	K	94.4	Very high	97.9	Very high	134 Å²	134	31.9 Å²	31.9	58%	0.583	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.5	-175.3	-59.8	-57.2	-174.8	176.4	0	112.9	P208	K203-P208 WeakPolarHBondContact O-CD 3.39Å; K203-P208 VanDerWaalsContact O-CG 3.25Å; K203-P208 WeakPolarHBondContact O-CG 3.17Å
204	N	92.3	Very high	98	Very high	64 Å²	64	33.4 Å²	33.4	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.9	-179.8	60.6	-24	0	0	0	114.2	F157 P177 S202	F157-N204 HydrophobicContact CD1-CB 4.14Å; F157-N204 HydrophobicContact CE1-CB 3.41Å; F157-N204 VanDerWaalsContact CE1-CB 3.41Å; F157-N204 HydrophobicContact CZ-CB 3.67Å; P177-N204 WeakPolarHBondContact CG-O 3.24Å; S202-N204 VanDerWaalsContact C-N 3.26Å; S202-N204 WeakPolarHBondContact CB-OD1 3.49Å; S202-N204 PolarHBondContact O-N 3.13Å; S202-N204 PolarHBondContact OG-OD1 3.08Å
205	V	97.1	Very high	98	Very high	20 Å²	20	30.3 Å²	30.3	12%	0.121	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-69.1	-174.7	-177.3	0	0	0	0	111.7	T176 S202 M207 P208 I209 A253 V274	T176-V205 HydrophobicContact CG2-CG1 3.95Å; T176-V205 HydrophobicContact CG2-CG2 4.17Å; S202-V205 WeakPolarHBondContact OG-CB 3.43Å; S202-V205 PolarHBondContact OG-N 3.37Å; V205-M207 PolarHBondContact O-N 3.02Å; V205-P208 WeakPolarHBondContact O-CD 3.14Å; V205-I209 HydrophobicContact CG1-CD1 3.63Å; V205-I209 WeakPolarHBondContact O-CB 3.42Å; V205-I209 WeakPolarHBondContact O-CD1 3.28Å; V205-I209 VanDerWaalsContact O-CG1 3.23Å; V205-I209 WeakPolarHBondContact O-CG1 3.29Å; V205-I209 PolarHBondContact O-N 3.08Å; V205-I209 VanDerWaalsContact O-N 3.07Å; V205-A253 HydrophobicContact CG1-CB 3.68Å; V205-V274 HydrophobicContact CG1-CG1 3.73Å
206	G	98.2	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-47.6	-169.6	0	0	0	0	0	114.2	G200 S202 I209 A210	G200-G206 WeakPolarHBondContact O-CA 3.33Å; S202-G206 PolarHBondContact O-N 3.38Å; S202-G206 PolarHBondContact OG-N 3.19Å; G206-I209 PolarHBondContact O-N 3.43Å; G206-A210 PolarHBondContact O-N 2.99Å; G206-A210 VanDerWaalsContact O-N 3.12Å
207	M	98.6	Very high	97.9	Very high	35 Å²	35	31.8 Å²	31.8	17%	0.172	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-48.8	-179.9	176.7	-75.3	-68.2	0	0	112.3	V162 M165 S202 V205 I209 A210 M211	V162-M207 HydrophobicContact CG1-CE 3.77Å; M165-M207 HydrophobicContact CE-CE 4.27Å; M165-M207 HydrophobicContact CE-SD 4.13Å; S202-M207 PolarHBondContact O-N 2.73Å; V205-M207 PolarHBondContact O-N 3.02Å; M207-I209 PolarHBondContact O-N 2.89Å; M207-A210 PolarHBondContact O-N 2.76Å; M207-M211 PolarHBondContact O-N 2.96Å
208	P	98.8	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-37.8	176.4	-25.9	34.3	0	0	0	114.1	M165 P174 P177 K203 V205 A210 M211 L212	M165-P208 HydrophobicContact CE-CB 3.71Å; M165-P208 HydrophobicContact CE-CG 4Å; M165-P208 HydrophobicContact SD-CB 3.73Å; M165-P208 HydrophobicContact SD-CG 4.5Å; P174-P208 HydrophobicContact CG-CB 4.09Å; P174-P208 HydrophobicContact CG-CG 4.03Å; P177-P208 HydrophobicContact CB-CB 3.75Å; P177-P208 HydrophobicContact CG-CB 3.49Å; P177-P208 VanDerWaalsContact CG-CB 3.49Å; P177-P208 HydrophobicContact CG-CG 4.09Å; K203-P208 WeakPolarHBondContact O-CD 3.39Å; K203-P208 VanDerWaalsContact O-CG 3.25Å; K203-P208 WeakPolarHBondContact O-CG 3.17Å; V205-P208 WeakPolarHBondContact O-CD 3.14Å; P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.93Å; P208-M211 PolarHBondContact O-N 2.79Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 2.86Å
209	I	98.9	Very high	97.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-47.1	174.7	-73.4	168	0	0	0	110.2	P177 V180 V198 V205 G206 M207 M211 L212 L213 I251 V274	P177-I209 HydrophobicContact CB-CG1 3.8Å; P177-I209 HydrophobicContact CG-CG1 4.08Å; V180-I209 HydrophobicContact CB-CD1 4.35Å; V180-I209 HydrophobicContact CB-CG1 4.44Å; V180-I209 HydrophobicContact CG1-CD1 4.39Å; V180-I209 HydrophobicContact CG1-CG1 4.46Å; V180-I209 HydrophobicContact CG1-CG2 4.43Å; V180-I209 HydrophobicContact CG2-CD1 4Å; V198-I209 HydrophobicContact CG1-CG2 4.28Å; V198-I209 HydrophobicContact CG2-CG2 3.86Å; V205-I209 HydrophobicContact CG1-CD1 3.63Å; V205-I209 WeakPolarHBondContact O-CB 3.42Å; V205-I209 WeakPolarHBondContact O-CD1 3.28Å; V205-I209 VanDerWaalsContact O-CG1 3.23Å; V205-I209 WeakPolarHBondContact O-CG1 3.29Å; V205-I209 PolarHBondContact O-N 3.08Å; V205-I209 VanDerWaalsContact O-N 3.07Å; G206-I209 PolarHBondContact O-N 3.43Å; M207-I209 PolarHBondContact O-N 2.89Å; I209-M211 VanDerWaalsContact C-N 3.3Å; I209-M211 PolarHBondContact O-N 3.22Å; I209-L212 PolarHBondContact O-N 3.34Å; I209-L213 HydrophobicContact CG2-CD1 3.8Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.04Å; I209-L213 VanDerWaalsContact O-N 3.15Å; I209-I251 HydrophobicContact CD1-CG2 4.09Å; I209-I251 HydrophobicContact CG2-CD1 3.53Å; I209-I251 HydrophobicContact CG2-CG2 4.17Å; I209-V274 HydrophobicContact CD1-CG2 4.31Å
210	A	98.9	Very high	97.6	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-39.5	178.3	0	0	0	0	0	111.9	V198 G206 M207 P208 H214 V228 I230	V198-A210 HydrophobicContact CG2-CB 4.27Å; G206-A210 PolarHBondContact O-N 2.99Å; G206-A210 VanDerWaalsContact O-N 3.12Å; M207-A210 PolarHBondContact O-N 2.76Å; P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.93Å; A210-H214 PolarHBondContact O-N 3.02Å; A210-H214 PolarHBondContact O-ND1 3.18Å; A210-V228 HydrophobicContact CB-CG1 3.84Å; A210-I230 HydrophobicContact CB-CD1 3.61Å; A210-I230 HydrophobicContact CB-CG1 3.73Å
211	M	98.8	Very high	97.6	Very high	36 Å²	36	44.1 Å²	44.1	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-49.9	177.6	-168.1	58.4	59	0	0	111.9	M165 C166 M207 P208 I209 L213 H214 T215	M165-M211 HydrophobicContact CE-CB 4.29Å; M165-M211 HydrophobicContact CE-CG 4.36Å; M165-M211 HydrophobicContact CG-CG 4.44Å; C166-M211 HydrophobicContact CB-CE 4.16Å; C166-M211 HydrophobicContact CB-SD 4.32Å; M207-M211 PolarHBondContact O-N 2.96Å; P208-M211 PolarHBondContact O-N 2.79Å; I209-M211 VanDerWaalsContact C-N 3.3Å; I209-M211 PolarHBondContact O-N 3.22Å; M211-L213 VanDerWaalsContact C-N 3.28Å; M211-L213 PolarHBondContact O-N 2.71Å; M211-H214 PolarHBondContact O-ND1 3.47Å; M211-H214 PolarHBondContact SD-CE1 3.19Å; M211-T215 HydrophobicContact CG-CG2 4.35Å; M211-T215 WeakPolarHBondContact O-CB 3.12Å; M211-T215 WeakPolarHBondContact O-CG2 3.4Å; M211-T215 PolarHBondContact O-N 2.62Å; M211-T215 PolarHBondContact O-OG1 2.79Å; M211-T215 HydrophobicContact SD-CG2 3.74Å
212	L	98.8	Very high	97.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-36.5	-179.8	-69.7	174.6	0	0	0	112.8	M165 L173 P177 W181 P208 I209 T215 G223 G224	M165-L212 HydrophobicContact CG-CD2 4.41Å; L173-L212 HydrophobicContact CD1-CD1 4.49Å; L173-L212 HydrophobicContact CD1-CD2 3.96Å; L173-L212 HydrophobicContact CD2-CD2 3.88Å; P177-L212 HydrophobicContact CB-CD1 3.9Å; W181-L212 HydrophobicContact CD2-CB 4.48Å; W181-L212 HydrophobicContact CE3-CB 4.3Å; W181-L212 HydrophobicContact CE3-CD1 4.09Å; W181-L212 HydrophobicContact CE3-CD2 4.01Å; W181-L212 HydrophobicContact CE3-CG 4.36Å; W181-L212 HydrophobicContact CZ3-CD2 3.95Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 2.86Å; I209-L212 PolarHBondContact O-N 3.34Å; L212-T215 PolarHBondContact O-OG1 3.13Å; L212-G223 CarbonylContact O-C 3.58Å; L212-G223 WeakPolarHBondContact O-CA 3.28Å; L212-G224 PolarHBondContact O-N 2.93Å
213	L	98.9	Very high	97.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-84.5	-29.7	-173.4	-67.1	174.3	0	0	0	113.9	I184 T191 V196 I209 M211 G224 D225 A226 V228 I251	I184-L213 HydrophobicContact CD1-CD1 4.32Å; I184-L213 HydrophobicContact CD1-CD2 4.05Å; T191-L213 HydrophobicContact CG2-CD2 4.12Å; V196-L213 HydrophobicContact CG1-CD1 3.94Å; I209-L213 HydrophobicContact CG2-CD1 3.8Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.04Å; I209-L213 VanDerWaalsContact O-N 3.15Å; M211-L213 VanDerWaalsContact C-N 3.28Å; M211-L213 PolarHBondContact O-N 2.71Å; L213-G224 CarbonylContact O-C 3.56Å; L213-G224 VanDerWaalsContact O-CA 3.23Å; L213-G224 WeakPolarHBondContact O-CA 3.41Å; L213-D225 PolarHBondContact O-N 2.87Å; L213-A226 WeakPolarHBondContact O-CB 3.49Å; L213-A226 PolarHBondContact O-N 3.49Å; L213-V228 HydrophobicContact CB-CG2 3.98Å; L213-I251 HydrophobicContact CD1-CD1 3.26Å
214	H	98.8	Very high	97.9	Very high	87 Å²	87	33.3 Å²	33.3	40%	0.403	19%	0.193	S	C	.	.	H	α-helix	trans	-90	-20.3	-177.1	85.7	-91.7	0	0	0	114.9	A210 M211 A226 V228	A210-H214 PolarHBondContact O-N 3.02Å; A210-H214 PolarHBondContact O-ND1 3.18Å; M211-H214 PolarHBondContact O-ND1 3.47Å; M211-H214 PolarHBondContact SD-CE1 3.19Å; H214-A226 VanDerWaalsContact CA-O 3.28Å; H214-A226 WeakPolarHBondContact CA-O 3.49Å; H214-A226 WeakPolarHBondContact CB-O 3.25Å; H214-V228 HydrophobicContact CB-CB 3.97Å; H214-V228 HydrophobicContact CB-CG2 3.51Å
215	T	98.6	Very high	98.2	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	19%	0.191	C	C	.	.	S	Bend	trans	-73.7	164.5	-171.2	44.9	0	0	0	0	112.1	D168 M211 L212 R221 G223 G224 D225	D168-T215 WeakPolarHBondContact OD1-CB 3.45Å; D168-T215 WeakPolarHBondContact OD1-CG2 3.49Å; D168-T215 PolarHBondContact OD1-OG1 3.29Å; D168-T215 WeakPolarHBondContact OD2-CB 3.23Å; D168-T215 WeakPolarHBondContact OD2-CG2 3.43Å; M211-T215 HydrophobicContact CG-CG2 4.35Å; M211-T215 WeakPolarHBondContact O-CB 3.12Å; M211-T215 WeakPolarHBondContact O-CG2 3.4Å; M211-T215 PolarHBondContact O-N 2.62Å; M211-T215 PolarHBondContact O-OG1 2.79Å; M211-T215 HydrophobicContact SD-CG2 3.74Å; L212-T215 PolarHBondContact O-OG1 3.13Å; T215-R221 PolarHBondContact OG1-NH1 2.92Å; T215-G223 CarbonylContact O-C 3.52Å; T215-G223 VanDerWaalsContact O-CA 3.25Å; T215-G223 WeakPolarHBondContact O-CA 3.49Å; T215-G223 WeakPolarHBondContact OG1-CA 3.47Å; T215-G224 PolarHBondContact O-N 3.15Å; T215-D225 PolarHBondContact O-N 3.28Å
216	D	98.4	Very high	98.3	Very high	69 Å²	69	32.2 Å²	32.2	37%	0.369	19%	0.187	S	C	.	.			trans	-72.3	129.4	-170.7	-166.1	-37.5	0	0	0	111.6	A218 H219 G223 D225	D216-A218 PolarHBondContact O-N 2.95Å; D216-A218 VanDerWaalsContact OD1-CB 3.29Å; D216-A218 WeakPolarHBondContact OD1-CB 3.25Å; D216-A218 PolarHBondContact OD1-N 3.22Å; D216-H219 PolarHBondContact O-N 2.95Å; D216-G223 PolarHBondContact O-N 3.41Å; D216-D225 WeakPolarHBondContact CA-OD1 3.21Å
217	G	98	Very high	98.3	Very high	28 Å²	28	36.4 Å²	36.4	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.5	175.5	0	0	0	0	0	114.7	P222 D225	G217-P222 WeakPolarHBondContact O-CB 3.33Å; G217-D225 VanDerWaalsContact CA-OD2 3.28Å; G217-D225 WeakPolarHBondContact CA-OD2 3.23Å; G217-D225 VanDerWaalsContact N-CG 3.34Å; G217-D225 PolarHBondContact N-OD1 3.2Å; G217-D225 PolarHBondContact N-OD2 2.79Å
218	A	97.6	Very high	98.3	Very high	87 Å²	87	36.3 Å²	36.3	72%	0.719	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.4	-179.9	0	0	0	0	0	114.5	D216	D216-A218 PolarHBondContact O-N 2.95Å; D216-A218 VanDerWaalsContact OD1-CB 3.29Å; D216-A218 WeakPolarHBondContact OD1-CB 3.25Å; D216-A218 PolarHBondContact OD1-N 3.22Å
219	H	97.7	Very high	98.3	Very high	88 Å²	88	38.6 Å²	38.6	41%	0.407	23%	0.229	S	C	.	.	S	Bend	trans	-76.2	167.1	178.4	-72.7	174.6	0	0	0	113.3	D168 D216 R221	D168-H219 HydrophobicContact CB-CB 3.55Å; D168-H219 WeakPolarHBondContact CB-ND1 2.94Å; D168-H219 IonicContact OD2-CE1 3.61Å; D168-H219 PolarHBondContact OD2-CE1 3.42Å; D168-H219 IonicContact OD2-CG 3.6Å; D168-H219 IonicContact OD2-ND1 2.74Å; D168-H219 PolarHBondContact OD2-ND1 3.12Å; D216-H219 PolarHBondContact O-N 2.95Å; H219-R221 VanDerWaalsContact C-N 3.29Å; H219-R221 CarbonylContact O-C 3.52Å; H219-R221 PolarHBondContact O-N 3.23Å
220	E	96.1	Very high	98.3	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	25%	0.249	S	C	.	.	S	Bend	trans	-48.7	-50.2	-177.7	176.9	-173.5	130.4	0	0	111.7	Y170 P222	Y170-E220 HydrophobicContact CD2-CG 3.45Å; Y170-E220 VanDerWaalsContact CD2-CG 3.45Å; Y170-E220 WeakPolarHBondContact CD2-OE1 2.95Å; Y170-E220 HydrophobicContact CE1-CG 4.45Å; Y170-E220 WeakPolarHBondContact CE1-O 3.1Å; Y170-E220 HydrophobicContact CE2-CG 3.35Å; Y170-E220 HydrophobicContact CG-CG 4.08Å; Y170-E220 PolarHBondContact N-OE1 2.85Å; Y170-E220 PolarHBondContact OH-O 3.44Å; E220-P222 WeakPolarHBondContact O-CD 3.5Å
221	R	97.4	Very high	98.3	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.045	25%	0.249	C	C	.	.	S	Bend	trans	-99.8	106	163.1	-174	-80.3	-59.5	139.8	-2.7	107.2	M165 D168 Y170 T215 H219	M165-R221 PolarHBondContact O-NH2 3.44Å; D168-R221 WeakPolarHBondContact O-CB 3.4Å; D168-R221 PolarHBondContact O-N 3.14Å; D168-R221 IonicContact OD1-CZ 3.72Å; D168-R221 IonicContact OD1-NH1 2.87Å; D168-R221 IonicContact OD1-NH2 2.75Å; D168-R221 PolarHBondContact OD1-NH2 3.37Å; Y170-R221 HydrophobicContact CD1-CB 4.22Å; T215-R221 PolarHBondContact OG1-NH1 2.92Å; H219-R221 VanDerWaalsContact C-N 3.29Å; H219-R221 CarbonylContact O-C 3.52Å; H219-R221 PolarHBondContact O-N 3.23Å
222	P	96.8	Very high	98.3	Very high	62 Å²	62	43.8 Å²	43.8	40%	0.403	25%	0.254	S	S	.	.			trans	-54.6	141.5	-178.1	-30.4	37.5	0	0	0	112.6	W181 G217 E220	W181-P222 WeakPolarHBondContact CH2-O 3.21Å; W181-P222 WeakPolarHBondContact CZ2-O 3.24Å; G217-P222 WeakPolarHBondContact O-CB 3.33Å; E220-P222 WeakPolarHBondContact O-CD 3.5Å
223	G	98.3	Very high	98.2	Very high	10 Å²	10	53.4 Å²	53.4	10%	0.103	29%	0.291	C	S	.	.			trans	-97.4	-162.4	170.3	0	0	0	0	0	113.3	L212 T215 D216	L212-G223 CarbonylContact O-C 3.58Å; L212-G223 WeakPolarHBondContact O-CA 3.28Å; T215-G223 CarbonylContact O-C 3.52Å; T215-G223 VanDerWaalsContact O-CA 3.25Å; T215-G223 WeakPolarHBondContact O-CA 3.49Å; T215-G223 WeakPolarHBondContact OG1-CA 3.47Å; D216-G223 PolarHBondContact O-N 3.41Å
224	G	98.6	Very high	98.1	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.021	32%	0.322	C	S	.	.			trans	-104.8	-8.3	-179.5	0	0	0	0	0	115.2	T191 L192 L212 L213 T215 A226	T191-G224 CarbonylContact C-O 3.57Å; T191-G224 WeakPolarHBondContact CB-O 3.28Å; T191-G224 WeakPolarHBondContact OG1-CA 3.31Å; T191-G224 PolarHBondContact OG1-O 3.33Å; L192-G224 WeakPolarHBondContact CA-O 3.32Å; L192-G224 PolarHBondContact N-O 3.14Å; L192-G224 VanDerWaalsContact N-O 3.17Å; L212-G224 PolarHBondContact O-N 2.93Å; L213-G224 CarbonylContact O-C 3.56Å; L213-G224 VanDerWaalsContact O-CA 3.23Å; L213-G224 WeakPolarHBondContact O-CA 3.41Å; T215-G224 PolarHBondContact O-N 3.15Å; G224-A226 PolarHBondContact O-N 3.19Å; G224-A226 VanDerWaalsContact O-N 3.16Å
225	D	98.8	Very high	98.1	Very high	54 Å²	54	59 Å²	59	29%	0.289	31%	0.313	S	S	.	.			trans	52.8	30	-177.3	-64.4	-65.3	0	0	0	114.6	L192 G193 L213 T215 D216 G217	L192-D225 HydrophobicContact CB-CB 4.04Å; L192-D225 HydrophobicContact CD1-CB 4.25Å; L192-D225 HydrophobicContact CG-CB 3.85Å; G193-D225 PolarHBondContact N-O 3.23Å; L213-D225 PolarHBondContact O-N 2.87Å; T215-D225 PolarHBondContact O-N 3.28Å; D216-D225 WeakPolarHBondContact CA-OD1 3.21Å; G217-D225 VanDerWaalsContact CA-OD2 3.28Å; G217-D225 WeakPolarHBondContact CA-OD2 3.23Å; G217-D225 VanDerWaalsContact N-CG 3.34Å; G217-D225 PolarHBondContact N-OD1 3.2Å; G217-D225 PolarHBondContact N-OD2 2.79Å
226	A	98.9	Very high	98.1	Very high	7 Å²	7	62.5 Å²	62.5	6%	0.058	34%	0.336	C	S	.	.			trans	-92.7	149.6	-179.4	0	0	0	0	0	112.8	T191 V196 L213 H214 G224 V228	T191-A226 WeakPolarHBondContact O-CB 3.44Å; V196-A226 HydrophobicContact CB-CB 4.39Å; V196-A226 HydrophobicContact CG2-CB 3.51Å; L213-A226 WeakPolarHBondContact O-CB 3.49Å; L213-A226 PolarHBondContact O-N 3.49Å; H214-A226 VanDerWaalsContact CA-O 3.28Å; H214-A226 WeakPolarHBondContact CA-O 3.49Å; H214-A226 WeakPolarHBondContact CB-O 3.25Å; G224-A226 PolarHBondContact O-N 3.19Å; G224-A226 VanDerWaalsContact O-N 3.16Å; A226-V228 HydrophobicContact CB-CG2 4.14Å; A226-V228 PolarHBondContact O-N 3.37Å
227	T	98.9	Very high	98.1	Very high	88 Å²	88	63.5 Å²	63.5	54%	0.54	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	103	166.3	-58.6	0	0	0	0	108.6	K194 V196	K194-T227 PolarHBondContact O-N 3.28Å; V196-T227 PolarHBondContact N-O 3.31Å
228	V	98.9	Very high	98.1	Very high	34 Å²	34	68 Å²	68	21%	0.206	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.3	-173.8	-178	0	0	0	0	112.3	V196 V198 A210 L213 H214 A226 I230	V196-V228 HydrophobicContact CB-CG2 3.99Å; V196-V228 HydrophobicContact CG1-CG1 4.47Å; V196-V228 HydrophobicContact CG1-CG2 4.32Å; V196-V228 CarbonylContact O-C 3.18Å; V196-V228 WeakPolarHBondContact O-CA 3.42Å; V198-V228 HydrophobicContact CG2-CG1 3.99Å; A210-V228 HydrophobicContact CB-CG1 3.84Å; L213-V228 HydrophobicContact CB-CG2 3.98Å; H214-V228 HydrophobicContact CB-CB 3.97Å; H214-V228 HydrophobicContact CB-CG2 3.51Å; A226-V228 HydrophobicContact CB-CG2 4.14Å; A226-V228 PolarHBondContact O-N 3.37Å; V228-I230 HydrophobicContact CG1-CG1 4.38Å
229	T	98.9	Very high	98.2	Very high	47 Å²	47	67.7 Å²	67.7	29%	0.288	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.6	166.2	-62	0	0	0	0	110.4	V196 V197 V198 H243	V196-T229 PolarHBondContact O-N 2.9Å; V197-T229 WeakPolarHBondContact CA-O 3.39Å; V198-T229 PolarHBondContact N-O 2.85Å; T229-H243 HydrophobicContact CG2-CB 4.19Å
230	I	98.9	Very high	98.2	Very high	84 Å²	84	64 Å²	64	43%	0.431	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.4	174.5	-55.1	173.8	0	0	0	109.5	R201 A210 V228	R201-I230 HydrophobicContact CB-CG2 3.97Å; A210-I230 HydrophobicContact CB-CD1 3.61Å; A210-I230 HydrophobicContact CB-CG1 3.73Å; V228-I230 HydrophobicContact CG1-CG1 4.38Å
231	S	98.7	Very high	98.4	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.1	173.9	61.6	0	0	0	0	111.3	V198 A199 G200 T235 L240	V198-S231 PolarHBondContact O-N 2.9Å; V198-S231 PolarHBondContact O-OG 3.47Å; A199-S231 VanDerWaalsContact CA-OG 3.28Å; A199-S231 WeakPolarHBondContact CA-OG 3.32Å; G200-S231 CarbonylContact C-O 3.06Å; G200-S231 PolarHBondContact N-O 2.94Å; S231-T235 WeakPolarHBondContact CA-OG1 3.29Å; S231-T235 WeakPolarHBondContact CB-OG1 3.29Å; S231-L240 WeakPolarHBondContact OG-CD1 3.44Å
232	H	98.4	Very high	98.4	Very high	60 Å²	60	68.6 Å²	68.6	28%	0.278	34%	0.337	S	S	.	.			trans	-158.4	-175.1	-173.9	52.3	78.7	0	0	0	112.2	R201 Y234 T235	R201-H232 HydrophobicContact CB-CB 4.42Å; R201-H232 HydrophobicContact CG-CB 3.74Å; R201-H232 PolarHBondContact NH1-CD2 2.94Å; R201-H232 VanDerWaalsContact NH1-CD2 3.33Å; R201-H232 PolarHBondContact NH1-CE1 2.95Å; R201-H232 PolarHBondContact NH1-NE2 3.09Å; R201-H232 VanDerWaalsContact NH1-NE2 3.14Å; H232-Y234 AromaticContact ND1-CD2 3.9Å; H232-Y234 PolarHBondContact ND1-N 3.05Å; H232-Y234 PolarHBondContact O-N 2.99Å; H232-T235 PolarHBondContact N-OG1 2.76Å; H232-T235 WeakPolarHBondContact O-CB 3.48Å; H232-T235 PolarHBondContact O-N 3.01Å; H232-T235 PolarHBondContact O-OG1 2.73Å
233	R	95.6	Very high	98.5	Very high	204 Å²	204	69.1 Å²	69.1	77%	0.77	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.1	-178.3	72.7	176.2	73.4	-107.3	3.3	117
234	Y	98.3	Very high	98.5	Very high	169 Å²	169	68.6 Å²	68.6	66%	0.663	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.5	178.6	-57.6	-62.5	0	0	0	112.6	H232 P236	H232-Y234 AromaticContact ND1-CD2 3.9Å; H232-Y234 PolarHBondContact ND1-N 3.05Å; H232-Y234 PolarHBondContact O-N 2.99Å; Y234-P236 VanDerWaalsContact O-CD 3.24Å; Y234-P236 WeakPolarHBondContact O-CD 3.37Å
235	T	98.6	Very high	98.5	Very high	37 Å²	37	71.7 Å²	71.7	23%	0.227	34%	0.344	C	S	.	.	S	Bend	trans	-73.3	116.3	171	-55.2	0	0	0	0	107.4	S231 H232 Q239 L240	S231-T235 WeakPolarHBondContact CA-OG1 3.29Å; S231-T235 WeakPolarHBondContact CB-OG1 3.29Å; H232-T235 PolarHBondContact N-OG1 2.76Å; H232-T235 WeakPolarHBondContact O-CB 3.48Å; H232-T235 PolarHBondContact O-N 3.01Å; H232-T235 PolarHBondContact O-OG1 2.73Å; T235-Q239 HydrophobicContact CG2-CB 4.03Å; T235-L240 HydrophobicContact CG2-CB 4.16Å
236	P	98.6	Very high	98.5	Very high	81 Å²	81	74.3 Å²	74.3	53%	0.526	36%	0.357	S	S	.	.			trans	-58.8	144.9	176.2	-23.5	35.2	0	0	0	110.5	Y234 E238 Q239 L240	Y234-P236 VanDerWaalsContact O-CD 3.24Å; Y234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-E238 PolarHBondContact O-N 3.05Å; P236-Q239 HydrophobicContact CB-CG 4.33Å; P236-Q239 HydrophobicContact CG-CG 4.29Å; P236-Q239 WeakPolarHBondContact O-CA 3.19Å; P236-Q239 WeakPolarHBondContact O-CB 3.3Å; P236-Q239 PolarHBondContact O-N 2.83Å; P236-L240 PolarHBondContact O-N 3.06Å
237	K	98.1	Very high	98.5	Very high	89 Å²	89	74 Å²	74	39%	0.387	36%	0.355	S	S	.	.	H	α-helix	trans	-53.6	-39.9	-178	-175.3	73.1	177.4	-163.9	0	112.5	Q239 L240 K241 L259 M264	K237-Q239 VanDerWaalsContact C-N 3.33Å; K237-Q239 PolarHBondContact O-N 2.8Å; K237-L240 WeakPolarHBondContact O-CB 3.46Å; K237-L240 PolarHBondContact O-N 3.34Å; K237-K241 WeakPolarHBondContact O-CB 3.26Å; K237-K241 PolarHBondContact O-N 3.21Å; K237-L259 PolarHBondContact NZ-O 3.23Å; K237-M264 VanDerWaalsContact CE-SD 3.51Å; K237-M264 PolarHBondContact NZ-SD 3.28Å; K237-M264 VanDerWaalsContact NZ-SD 3.38Å
238	E	98.4	Very high	98.5	Very high	123 Å²	123	71.5 Å²	71.5	58%	0.575	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-39.8	175.3	-65.1	-51.3	125.1	0	0	112.9	P236 K242	P236-E238 PolarHBondContact O-N 3.05Å; E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.34Å; E238-K242 PolarHBondContact O-N 2.89Å
239	Q	98.8	Very high	98.5	Very high	80 Å²	80	70 Å²	70	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-71.1	-40.4	175.7	-66.2	-63.1	-21.8	0	0	110.9	T235 P236 K237 K241 K242 H243	T235-Q239 HydrophobicContact CG2-CB 4.03Å; P236-Q239 HydrophobicContact CB-CG 4.33Å; P236-Q239 HydrophobicContact CG-CG 4.29Å; P236-Q239 WeakPolarHBondContact O-CA 3.19Å; P236-Q239 WeakPolarHBondContact O-CB 3.3Å; P236-Q239 PolarHBondContact O-N 2.83Å; K237-Q239 VanDerWaalsContact C-N 3.33Å; K237-Q239 PolarHBondContact O-N 2.8Å; Q239-K241 VanDerWaalsContact C-N 3.32Å; Q239-K241 PolarHBondContact O-N 2.96Å; Q239-K242 PolarHBondContact O-N 3.42Å; Q239-H243 PolarHBondContact O-N 3.03Å; Q239-H243 PolarHBondContact O-ND1 2.93Å
240	L	98.8	Very high	98.5	Very high	11 Å²	11	67.7 Å²	67.7	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-45.7	174.4	179.5	61.7	0	0	0	111.2	V197 A199 S231 T235 P236 K237 K242 H243 T244 L259 I260 M264	V197-L240 HydrophobicContact CG1-CD1 4.4Å; A199-L240 HydrophobicContact CB-CD1 4.43Å; S231-L240 WeakPolarHBondContact OG-CD1 3.44Å; T235-L240 HydrophobicContact CG2-CB 4.16Å; P236-L240 PolarHBondContact O-N 3.06Å; K237-L240 WeakPolarHBondContact O-CB 3.46Å; K237-L240 PolarHBondContact O-N 3.34Å; L240-K242 PolarHBondContact O-N 3.37Å; L240-H243 PolarHBondContact O-N 2.8Å; L240-T244 HydrophobicContact CD1-CG2 3.99Å; L240-T244 HydrophobicContact CG-CG2 4.37Å; L240-T244 WeakPolarHBondContact O-CB 3.28Å; L240-T244 WeakPolarHBondContact O-CG2 3.38Å; L240-T244 PolarHBondContact O-N 2.86Å; L240-T244 PolarHBondContact O-OG1 2.65Å; L240-L259 HydrophobicContact CD2-CD1 3.96Å; L240-L259 HydrophobicContact CD2-CG 4.22Å; L240-I260 HydrophobicContact CD2-CD1 4.33Å; L240-M264 HydrophobicContact CB-CE 4.38Å; L240-M264 HydrophobicContact CD2-CE 3.76Å; L240-M264 HydrophobicContact CG-CE 3.61Å
241	K	98.8	Very high	98.5	Very high	74 Å²	74	63.7 Å²	63.7	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.9	-178.3	168.7	176.9	171.5	0	112.4	K237 Q239 H243 T244 I245 D263 M264	K237-K241 WeakPolarHBondContact O-CB 3.26Å; K237-K241 PolarHBondContact O-N 3.21Å; Q239-K241 VanDerWaalsContact C-N 3.32Å; Q239-K241 PolarHBondContact O-N 2.96Å; K241-H243 VanDerWaalsContact C-N 3.26Å; K241-H243 PolarHBondContact O-N 3.11Å; K241-T244 VanDerWaalsContact CA-OG1 3.28Å; K241-T244 WeakPolarHBondContact CA-OG1 3.47Å; K241-T244 PolarHBondContact O-N 3.45Å; K241-T244 PolarHBondContact O-OG1 2.91Å; K241-I245 WeakPolarHBondContact O-CB 3.14Å; K241-I245 PolarHBondContact O-N 2.83Å; K241-D263 VanDerWaalsContact CE-OD2 3.28Å; K241-D263 WeakPolarHBondContact CE-OD2 3.42Å; K241-D263 IonicContact NZ-OD2 2.68Å; K241-D263 PolarHBondContact NZ-OD2 3.17Å; K241-M264 HydrophobicContact CB-CE 4.48Å; K241-M264 HydrophobicContact CB-CG 4.26Å; K241-M264 HydrophobicContact CD-CG 4.31Å; K241-M264 HydrophobicContact CG-CG 4.06Å
242	K	98.8	Very high	98.5	Very high	119 Å²	119	63.5 Å²	63.5	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-35.2	177.9	-77.1	174.6	-178.1	-177.3	0	113.7	E238 Q239 L240 I245	E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.34Å; E238-K242 PolarHBondContact O-N 2.89Å; Q239-K242 PolarHBondContact O-N 3.42Å; L240-K242 PolarHBondContact O-N 3.37Å; K242-I245 WeakPolarHBondContact O-CG2 3.44Å
243	H	98.9	Very high	98.5	Very high	73 Å²	73	61.5 Å²	61.5	34%	0.338	29%	0.287	S	S	.	.	H	α-helix	trans	-85	-41.1	179	-64.3	82.3	0	0	0	111.6	V197 T229 Q239 L240 K241 I245 L246 A247	V197-H243 HydrophobicContact CG2-CB 3.89Å; T229-H243 HydrophobicContact CG2-CB 4.19Å; Q239-H243 PolarHBondContact O-N 3.03Å; Q239-H243 PolarHBondContact O-ND1 2.93Å; L240-H243 PolarHBondContact O-N 2.8Å; K241-H243 VanDerWaalsContact C-N 3.26Å; K241-H243 PolarHBondContact O-N 3.11Å; H243-I245 VanDerWaalsContact C-N 3.3Å; H243-I245 PolarHBondContact O-N 2.89Å; H243-L246 PolarHBondContact O-N 2.85Å; H243-L246 VanDerWaalsContact O-N 3.14Å; H243-A247 PolarHBondContact O-N 2.78Å
244	T	98.8	Very high	98.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-31.6	-179.6	44.6	0	0	0	0	113	V197 L240 K241 L246 A247 V250 M264	V197-T244 HydrophobicContact CB-CG2 4.19Å; V197-T244 HydrophobicContact CG1-CG2 3.8Å; V197-T244 HydrophobicContact CG2-CG2 4.41Å; L240-T244 HydrophobicContact CD1-CG2 3.99Å; L240-T244 HydrophobicContact CG-CG2 4.37Å; L240-T244 WeakPolarHBondContact O-CB 3.28Å; L240-T244 WeakPolarHBondContact O-CG2 3.38Å; L240-T244 PolarHBondContact O-N 2.86Å; L240-T244 PolarHBondContact O-OG1 2.65Å; K241-T244 VanDerWaalsContact CA-OG1 3.28Å; K241-T244 WeakPolarHBondContact CA-OG1 3.47Å; K241-T244 PolarHBondContact O-N 3.45Å; K241-T244 PolarHBondContact O-OG1 2.91Å; T244-L246 PolarHBondContact O-N 3.31Å; T244-A247 WeakPolarHBondContact O-CB 3.41Å; T244-A247 PolarHBondContact O-N 3.15Å; T244-V250 HydrophobicContact CG2-CG1 4.14Å; T244-V250 HydrophobicContact CG2-CG2 4.21Å; T244-M264 CarbonylContact C-O 3.41Å; T244-M264 WeakPolarHBondContact CB-O 3.45Å; T244-M264 HydrophobicContact CG2-CE 4.42Å; T244-M264 PolarHBondContact OG1-O 3.16Å
245	I	98.4	Very high	98.5	Very high	67 Å²	67	47.6 Å²	47.6	34%	0.344	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.1	176.6	-156.4	64.9	0	0	0	113.4	K241 K242 H243 M264 K266	K241-I245 WeakPolarHBondContact O-CB 3.14Å; K241-I245 PolarHBondContact O-N 2.83Å; K242-I245 WeakPolarHBondContact O-CG2 3.44Å; H243-I245 VanDerWaalsContact C-N 3.3Å; H243-I245 PolarHBondContact O-N 2.89Å; I245-M264 WeakPolarHBondContact CA-O 3.16Å; I245-M264 PolarHBondContact N-O 2.9Å; I245-M264 VanDerWaalsContact N-O 3.14Å; I245-K266 WeakPolarHBondContact O-CB 3.49Å
246	L	98.6	Very high	98.4	Very high	108 Å²	108	49.7 Å²	49.7	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.9	176	-60.5	176.2	0	0	0	112.6	N195 H243 T244	N195-L246 WeakPolarHBondContact CB-O 3.47Å; N195-L246 PolarHBondContact ND2-O 3.49Å; N195-L246 VanDerWaalsContact ND2-O 3.15Å; H243-L246 PolarHBondContact O-N 2.85Å; H243-L246 VanDerWaalsContact O-N 3.14Å; T244-L246 PolarHBondContact O-N 3.31Å
247	A	98.8	Very high	98.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.254	C	S	.	.			trans	-76.9	132.4	-171.3	0	0	0	0	0	111.5	N195 V197 H243 T244 V250 K266	N195-A247 CarbonylContact O-C 3.59Å; N195-A247 WeakPolarHBondContact O-CA 3.17Å; V197-A247 HydrophobicContact CB-CB 4.25Å; V197-A247 HydrophobicContact CG2-CB 3.8Å; H243-A247 PolarHBondContact O-N 2.78Å; T244-A247 WeakPolarHBondContact O-CB 3.41Å; T244-A247 PolarHBondContact O-N 3.15Å; A247-V250 HydrophobicContact CB-CG2 3.67Å; A247-K266 WeakPolarHBondContact O-CB 3.49Å
248	D	98.9	Very high	98.3	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	26%	0.262	C	S	.	.	S	Bend	trans	-77.6	-28.4	165.7	-58.6	-62.6	0	0	0	110.9	K194 N195 K266 A269 A270	K194-D248 WeakPolarHBondContact CA-OD2 3.03Å; K194-D248 HydrophobicContact CB-CB 4.01Å; K194-D248 HydrophobicContact CD-CB 4.38Å; K194-D248 HydrophobicContact CG-CB 4.41Å; N195-D248 PolarHBondContact N-OD2 2.96Å; N195-D248 PolarHBondContact O-N 2.86Å; D248-K266 IonicContact OD1-NZ 3.84Å; D248-K266 PolarHBondContact OD1-NZ 3.42Å; D248-A269 CarbonylContact O-C 3.5Å; D248-A269 WeakPolarHBondContact O-CA 3.36Å; D248-A269 WeakPolarHBondContact O-CB 3.37Å; D248-A270 PolarHBondContact O-N 3.38Å
249	I	98.9	Very high	98.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.1	176.7	-47.4	178.3	0	0	0	109.5	I184 I189 T191 N195 V196 V197 I251 A270	I184-I249 HydrophobicContact CD1-CG2 4.46Å; I184-I249 HydrophobicContact CG2-CD1 4.47Å; I189-I249 HydrophobicContact CG2-CD1 3.83Å; I189-I249 HydrophobicContact CG2-CG1 4.2Å; T191-I249 HydrophobicContact CG2-CD1 4.11Å; N195-I249 PolarHBondContact O-N 2.83Å; N195-I249 VanDerWaalsContact O-N 3.12Å; V196-I249 CarbonylContact C-O 3.6Å; V196-I249 VanDerWaalsContact CA-O 3.3Å; V196-I249 WeakPolarHBondContact CA-O 3.27Å; V196-I249 HydrophobicContact CG2-CB 4.09Å; V196-I249 HydrophobicContact CG2-CD1 4.2Å; V196-I249 HydrophobicContact CG2-CG1 4.4Å; V197-I249 PolarHBondContact N-O 3.13Å; I249-I251 HydrophobicContact CG2-CD1 4.32Å; I249-I251 HydrophobicContact CG2-CG1 3.99Å; I249-A270 CarbonylContact C-O 3.58Å; I249-A270 VanDerWaalsContact CA-O 3.3Å; I249-A270 WeakPolarHBondContact CA-O 3.36Å; I249-A270 HydrophobicContact CG1-CB 4.36Å; I249-A270 HydrophobicContact CG2-CB 4.33Å
250	V	98.9	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.8	172.1	179.3	0	0	0	0	108.8	T244 A247 I260 I265 A270 V271 I272	T244-V250 HydrophobicContact CG2-CG1 4.14Å; T244-V250 HydrophobicContact CG2-CG2 4.21Å; A247-V250 HydrophobicContact CB-CG2 3.67Å; V250-I260 HydrophobicContact CG1-CD1 4.37Å; V250-I260 HydrophobicContact CG1-CG2 4.31Å; V250-I265 HydrophobicContact CB-CD1 4.09Å; V250-I265 HydrophobicContact CG1-CD1 4.31Å; V250-I265 HydrophobicContact CG2-CD1 3.78Å; V250-A270 PolarHBondContact N-O 3.45Å; V250-V271 CarbonylContact O-C 3.47Å; V250-V271 WeakPolarHBondContact O-CA 3.3Å; V250-I272 PolarHBondContact O-N 3.27Å
251	I	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.5	178.3	-53.8	173.2	0	0	0	108.3	V180 I184 V196 V197 V198 A199 I209 L213 I249 I272 V274	V180-I251 HydrophobicContact CG1-CD1 3.94Å; V180-I251 HydrophobicContact CG1-CG2 4.33Å; I184-I251 HydrophobicContact CD1-CD1 4.3Å; V196-I251 HydrophobicContact CG1-CD1 4.17Å; V197-I251 PolarHBondContact O-N 3.02Å; V198-I251 CarbonylContact C-O 3.46Å; V198-I251 WeakPolarHBondContact CA-O 3.48Å; V198-I251 HydrophobicContact CG2-CB 4.5Å; A199-I251 PolarHBondContact N-O 3Å; I209-I251 HydrophobicContact CD1-CG2 4.09Å; I209-I251 HydrophobicContact CG2-CD1 3.53Å; I209-I251 HydrophobicContact CG2-CG2 4.17Å; L213-I251 HydrophobicContact CD1-CD1 3.26Å; I249-I251 HydrophobicContact CG2-CD1 4.32Å; I249-I251 HydrophobicContact CG2-CG1 3.99Å; I251-I272 CarbonylContact C-O 3.54Å; I251-I272 WeakPolarHBondContact CA-O 3.43Å; I251-I272 HydrophobicContact CG1-CB 4.16Å; I251-I272 HydrophobicContact CG1-CG1 4.34Å; I251-I272 HydrophobicContact CG2-CB 4.38Å; I251-V274 HydrophobicContact CG2-CG2 3.76Å
252	S	98.7	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	-178.7	-161.3	0	0	0	0	111.3	I272 V274 G275 D292	S252-I272 PolarHBondContact N-O 3.35Å; S252-V274 WeakPolarHBondContact O-CA 3.42Å; S252-V274 WeakPolarHBondContact O-CB 3.45Å; S252-V274 PolarHBondContact O-N 2.88Å; S252-G275 PolarHBondContact O-N 3.09Å; S252-D292 WeakPolarHBondContact OG-CB 3.45Å; S252-D292 PolarHBondContact OG-OD2 2.96Å; S252-D292 VanDerWaalsContact OG-OD2 3.13Å
253	A	98.1	Very high	98.2	Very high	18 Å²	18	37.4 Å²	37.4	15%	0.149	22%	0.221	C	C	.	.			trans	-141.8	42.8	-177.8	0	0	0	0	0	110.5	A199 V205 V274	A199-A253 CarbonylContact O-C 3.59Å; A199-A253 WeakPolarHBondContact O-CA 3.42Å; A199-A253 PolarHBondContact O-N 2.95Å; V205-A253 HydrophobicContact CG1-CB 3.68Å; A253-V274 HydrophobicContact CB-CB 3.91Å; A253-V274 HydrophobicContact CB-CG1 4.29Å; A253-V274 HydrophobicContact CB-CG2 4.29Å
254	A	97.3	Very high	98.2	Very high	41 Å²	41	34 Å²	34	34%	0.339	21%	0.205	S	C	.	.	S	Bend	trans	-100.7	-25.5	-173.9	0	0	0	0	0	113.2	A199 I256 L259 D292	A199-A254 PolarHBondContact O-N 3.4Å; A254-I256 HydrophobicContact CB-CD1 4.41Å; A254-I256 HydrophobicContact CB-CG1 4.34Å; A254-L259 HydrophobicContact CB-CD2 3.46Å; A254-L259 VanDerWaalsContact CB-CD2 3.46Å; A254-D292 WeakPolarHBondContact CA-OD2 3.24Å; A254-D292 PolarHBondContact N-OD2 3.49Å
255	G	96.1	Very high	98.2	Very high	40 Å²	40	34 Å²	34	41%	0.412	21%	0.205	S	C	.	.			trans	71.3	43.9	-175	0	0	0	0	0	112.1	N277 D292	G255-N277 VanDerWaalsContact CA-OD1 3.25Å; G255-N277 WeakPolarHBondContact CA-OD1 3.28Å; G255-N277 PolarHBondContact O-OD1 3.12Å; G255-D292 WeakPolarHBondContact CA-OD1 3.47Å; G255-D292 PolarHBondContact N-OD1 3.48Å; G255-D292 VanDerWaalsContact N-OD1 3.09Å; G255-D292 PolarHBondContact N-OD2 3.01Å
256	I	97.3	Very high	98.2	Very high	82 Å²	82	34.6 Å²	34.6	42%	0.421	21%	0.205	S	C	.	.			trans	-134.5	108.3	-179.9	-57.7	177.2	0	0	0	108.1	A254 L259 D292	A254-I256 HydrophobicContact CB-CD1 4.41Å; A254-I256 HydrophobicContact CB-CG1 4.34Å; I256-L259 HydrophobicContact CB-CB 4.03Å; I256-L259 HydrophobicContact CB-CD2 4.33Å; I256-L259 HydrophobicContact CD1-CD2 4.47Å; I256-L259 HydrophobicContact CG2-CB 4.08Å; I256-L259 VanDerWaalsContact O-CB 3.27Å; I256-L259 WeakPolarHBondContact O-CB 3.37Å; I256-L259 PolarHBondContact O-N 3.07Å; I256-D292 PolarHBondContact N-OD1 3.07Å; I256-D292 VanDerWaalsContact O-CA 3.24Å; I256-D292 WeakPolarHBondContact O-CA 3.13Å; I256-D292 WeakPolarHBondContact O-CB 3.36Å
257	P	97.3	Very high	98.2	Very high	52 Å²	52	36.3 Å²	36.3	34%	0.338	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.9	176.7	-25.4	33.4	0	0	0	112.7	L259 N277 V279 V290	P257-L259 PolarHBondContact O-N 3.05Å; P257-L259 VanDerWaalsContact O-N 3.16Å; P257-N277 HydrophobicContact CG-CB 3.62Å; P257-V279 HydrophobicContact CG-CG1 3.99Å; P257-V290 HydrophobicContact CB-CG2 4.22Å; P257-V290 HydrophobicContact CG-CG2 4.26Å
258	N	96.8	Very high	98.1	Very high	101 Å²	101	38.5 Å²	38.5	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	27	178.5	-55.3	-37.1	0	0	0	114.2	I260 D292	N258-I260 VanDerWaalsContact C-N 3.3Å; N258-D292 CarbonylContact C-O 3.54Å; N258-D292 WeakPolarHBondContact CA-O 3.38Å; N258-D292 PolarHBondContact N-O 3.45Å
259	L	98.5	Very high	98.1	Very high	28 Å²	28	36.9 Å²	36.9	15%	0.147	23%	0.225	C	C	.	.			trans	-65.5	-35.7	172.8	177.7	63.3	0	0	0	111.7	A199 K237 L240 A254 I256 P257 D292	A199-L259 HydrophobicContact CB-CD2 4.47Å; K237-L259 PolarHBondContact NZ-O 3.23Å; L240-L259 HydrophobicContact CD2-CD1 3.96Å; L240-L259 HydrophobicContact CD2-CG 4.22Å; A254-L259 HydrophobicContact CB-CD2 3.46Å; A254-L259 VanDerWaalsContact CB-CD2 3.46Å; I256-L259 HydrophobicContact CB-CB 4.03Å; I256-L259 HydrophobicContact CB-CD2 4.33Å; I256-L259 HydrophobicContact CD1-CD2 4.47Å; I256-L259 HydrophobicContact CG2-CB 4.08Å; I256-L259 VanDerWaalsContact O-CB 3.27Å; I256-L259 WeakPolarHBondContact O-CB 3.37Å; I256-L259 PolarHBondContact O-N 3.07Å; P257-L259 PolarHBondContact O-N 3.05Å; P257-L259 VanDerWaalsContact O-N 3.16Å; L259-D292 PolarHBondContact N-O 3.12Å
260	I	98.7	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-109.8	119.5	179.7	-53.9	-59.8	0	0	0	109	L240 V250 N258 M264 I265 D292 V293 D294	L240-I260 HydrophobicContact CD2-CD1 4.33Å; V250-I260 HydrophobicContact CG1-CD1 4.37Å; V250-I260 HydrophobicContact CG1-CG2 4.31Å; N258-I260 VanDerWaalsContact C-N 3.3Å; I260-M264 HydrophobicContact CD1-CE 4.05Å; I260-I265 HydrophobicContact CG2-CD1 3.54Å; I260-I265 HydrophobicContact CG2-CG1 4.03Å; I260-D292 PolarHBondContact N-O 3.21Å; I260-D292 VanDerWaalsContact N-O 3.15Å; I260-V293 HydrophobicContact CB-CB 4.48Å; I260-V293 HydrophobicContact CB-CG1 4.42Å; I260-V293 HydrophobicContact CB-CG2 4.04Å; I260-V293 HydrophobicContact CG1-CG2 4.42Å; I260-V293 HydrophobicContact CG2-CG1 4.47Å; I260-V293 HydrophobicContact CG2-CG2 4.48Å; I260-D294 PolarHBondContact O-N 3.32Å
261	T	98.7	Very high	98.1	Very high	31 Å²	31	37 Å²	37	19%	0.19	23%	0.226	C	C	.	.			trans	-120.3	163.3	-175.2	49.8	0	0	0	0	111.6	D263 M264 D294	T261-D263 VanDerWaalsContact C-N 3.26Å; T261-D263 VanDerWaalsContact CB-OD1 3.31Å; T261-D263 WeakPolarHBondContact CB-OD1 3.48Å; T261-D263 PolarHBondContact O-N 2.84Å; T261-D263 PolarHBondContact OG1-OD1 2.98Å; T261-M264 WeakPolarHBondContact O-CB 3.39Å; T261-M264 PolarHBondContact O-N 3.25Å; T261-M264 PolarHBondContact OG1-SD 2.95Å; T261-D294 HydrophobicContact CG2-CB 4.23Å
262	A	98.3	Very high	98.1	Very high	29 Å²	29	37 Å²	37	24%	0.24	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.1	-34.3	-173.9	0	0	0	0	0	114.3	M264 I265 K301	A262-M264 PolarHBondContact O-N 3.47Å; A262-I265 PolarHBondContact O-N 2.71Å; A262-K301 WeakPolarHBondContact O-CD 3.34Å; A262-K301 PolarHBondContact O-NZ 2.9Å; A262-K301 VanDerWaalsContact O-NZ 3.12Å
263	D	98.1	Very high	98.1	Very high	78 Å²	78	37.1 Å²	37.1	42%	0.417	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-70.7	-13.6	178.5	70.3	-62.7	0	0	0	113.6	K241 T261	K241-D263 VanDerWaalsContact CE-OD2 3.28Å; K241-D263 WeakPolarHBondContact CE-OD2 3.42Å; K241-D263 IonicContact NZ-OD2 2.68Å; K241-D263 PolarHBondContact NZ-OD2 3.17Å; T261-D263 VanDerWaalsContact C-N 3.26Å; T261-D263 VanDerWaalsContact CB-OD1 3.31Å; T261-D263 WeakPolarHBondContact CB-OD1 3.48Å; T261-D263 PolarHBondContact O-N 2.84Å; T261-D263 PolarHBondContact OG1-OD1 2.98Å
264	M	98.7	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-93.1	-14.4	176.9	-59.8	175.8	61.1	0	0	113	K237 L240 K241 T244 I245 I260 T261 A262	K237-M264 VanDerWaalsContact CE-SD 3.51Å; K237-M264 PolarHBondContact NZ-SD 3.28Å; K237-M264 VanDerWaalsContact NZ-SD 3.38Å; L240-M264 HydrophobicContact CB-CE 4.38Å; L240-M264 HydrophobicContact CD2-CE 3.76Å; L240-M264 HydrophobicContact CG-CE 3.61Å; K241-M264 HydrophobicContact CB-CE 4.48Å; K241-M264 HydrophobicContact CB-CG 4.26Å; K241-M264 HydrophobicContact CD-CG 4.31Å; K241-M264 HydrophobicContact CG-CG 4.06Å; T244-M264 CarbonylContact C-O 3.41Å; T244-M264 WeakPolarHBondContact CB-O 3.45Å; T244-M264 HydrophobicContact CG2-CE 4.42Å; T244-M264 PolarHBondContact OG1-O 3.16Å; I245-M264 WeakPolarHBondContact CA-O 3.16Å; I245-M264 PolarHBondContact N-O 2.9Å; I245-M264 VanDerWaalsContact N-O 3.14Å; I260-M264 HydrophobicContact CD1-CE 4.05Å; T261-M264 WeakPolarHBondContact O-CB 3.39Å; T261-M264 PolarHBondContact O-N 3.25Å; T261-M264 PolarHBondContact OG1-SD 2.95Å; A262-M264 PolarHBondContact O-N 3.47Å
265	I	98.6	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-96	135.5	-171.5	-65.5	-56.5	0	0	0	110.7	V250 I260 A262 A269 V271 V298 K301 A302	V250-I265 HydrophobicContact CB-CD1 4.09Å; V250-I265 HydrophobicContact CG1-CD1 4.31Å; V250-I265 HydrophobicContact CG2-CD1 3.78Å; I260-I265 HydrophobicContact CG2-CD1 3.54Å; I260-I265 HydrophobicContact CG2-CG1 4.03Å; A262-I265 PolarHBondContact O-N 2.71Å; I265-A269 HydrophobicContact CG2-CB 4.15Å; I265-V271 HydrophobicContact CD1-CG2 3.8Å; I265-V271 HydrophobicContact CG1-CG2 4.25Å; I265-V271 HydrophobicContact CG2-CG2 4.11Å; I265-V298 HydrophobicContact CG1-CG1 3.88Å; I265-V298 HydrophobicContact CG1-CG2 4.08Å; I265-V298 HydrophobicContact CG2-CG1 4.44Å; I265-K301 HydrophobicContact CB-CD 4.42Å; I265-K301 WeakPolarHBondContact O-CD 3.07Å; I265-K301 WeakPolarHBondContact O-CE 3.48Å; I265-K301 PolarHBondContact O-NZ 2.74Å; I265-A302 HydrophobicContact CG2-CB 4.38Å
266	K	98.1	Very high	97.8	Very high	80 Å²	80	37 Å²	37	35%	0.348	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-69.1	140.3	168	176.3	-174.3	170.9	-179.1	0	110	I245 A247 D248 G268 A269	I245-K266 WeakPolarHBondContact O-CB 3.49Å; A247-K266 WeakPolarHBondContact O-CB 3.49Å; D248-K266 IonicContact OD1-NZ 3.84Å; D248-K266 PolarHBondContact OD1-NZ 3.42Å; K266-G268 PolarHBondContact O-N 3.18Å; K266-A269 HydrophobicContact CB-CB 4.14Å; K266-A269 VanDerWaalsContact O-CB 3.24Å; K266-A269 WeakPolarHBondContact O-CB 3.39Å; K266-A269 PolarHBondContact O-N 3.4Å; K266-A269 VanDerWaalsContact O-N 3.11Å
267	E	98	Very high	97.5	Very high	144 Å²	144	34 Å²	34	67%	0.673	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	130.8	174	-170.2	178.4	164.5	0	0	111	A269 K301	E267-A269 VanDerWaalsContact C-N 3.29Å; E267-A269 PolarHBondContact O-N 3.11Å; E267-K301 WeakPolarHBondContact CA-O 3.27Å; E267-K301 HydrophobicContact CB-CG 4.41Å
268	G	97.3	Very high	97.1	Very high	47 Å²	47	38.8 Å²	38.8	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-1.1	-177.9	0	0	0	0	0	115.4	K266 K301 G303	K266-G268 PolarHBondContact O-N 3.18Å; G268-K301 PolarHBondContact N-O 3.06Å; G268-G303 VanDerWaalsContact C-N 3.27Å; G268-G303 PolarHBondContact O-N 3.36Å
269	A	98.6	Very high	96.7	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	19%	0.192	C	C	.	.			trans	-64	154.9	178.2	0	0	0	0	0	112.8	D248 I265 K266 E267 A302 G303 Y304	D248-A269 CarbonylContact O-C 3.5Å; D248-A269 WeakPolarHBondContact O-CA 3.36Å; D248-A269 WeakPolarHBondContact O-CB 3.37Å; I265-A269 HydrophobicContact CG2-CB 4.15Å; K266-A269 HydrophobicContact CB-CB 4.14Å; K266-A269 VanDerWaalsContact O-CB 3.24Å; K266-A269 WeakPolarHBondContact O-CB 3.39Å; K266-A269 PolarHBondContact O-N 3.4Å; K266-A269 VanDerWaalsContact O-N 3.11Å; E267-A269 VanDerWaalsContact C-N 3.29Å; E267-A269 PolarHBondContact O-N 3.11Å; A269-A302 CarbonylContact O-C 3.59Å; A269-A302 WeakPolarHBondContact O-CA 3.24Å; A269-A302 WeakPolarHBondContact O-CB 3.21Å; A269-G303 PolarHBondContact O-N 3.39Å; A269-Y304 PolarHBondContact O-N 2.9Å
270	A	98.9	Very high	96.2	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.8	168.9	0	0	0	0	0	110.6	I189 D248 I249 V250 Y304	I189-A270 HydrophobicContact CD1-CB 3.83Å; I189-A270 HydrophobicContact CG2-CB 4.08Å; D248-A270 PolarHBondContact O-N 3.38Å; I249-A270 CarbonylContact C-O 3.58Å; I249-A270 VanDerWaalsContact CA-O 3.3Å; I249-A270 WeakPolarHBondContact CA-O 3.36Å; I249-A270 HydrophobicContact CG1-CB 4.36Å; I249-A270 HydrophobicContact CG2-CB 4.33Å; V250-A270 PolarHBondContact N-O 3.45Å; A270-Y304 HydrophobicContact CB-CD2 4.41Å
271	V	98.9	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.2	-179.7	-176.1	0	0	0	0	110.1	V250 I265 V293 V298 A302 Y304 I305 T306	V250-V271 CarbonylContact O-C 3.47Å; V250-V271 WeakPolarHBondContact O-CA 3.3Å; I265-V271 HydrophobicContact CD1-CG2 3.8Å; I265-V271 HydrophobicContact CG1-CG2 4.25Å; I265-V271 HydrophobicContact CG2-CG2 4.11Å; V271-V293 HydrophobicContact CG1-CG1 4.03Å; V271-V293 HydrophobicContact CG1-CG2 3.78Å; V271-V298 HydrophobicContact CB-CG1 4.24Å; V271-V298 HydrophobicContact CG1-CG1 4.26Å; V271-V298 HydrophobicContact CG2-CG1 3.8Å; V271-A302 HydrophobicContact CG2-CB 3.92Å; V271-Y304 PolarHBondContact N-O 2.89Å; V271-I305 HydrophobicContact CB-CG1 4.29Å; V271-I305 VanDerWaalsContact O-CA 3.3Å; V271-I305 WeakPolarHBondContact O-CA 3.17Å; V271-T306 PolarHBondContact O-N 2.93Å
272	I	98.9	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111	179.9	-46.7	-58	0	0	0	109	I40 V180 I183 I184 V250 I251 S252 V274 T306 V312	I40-I272 HydrophobicContact CD1-CD1 4.22Å; V180-I272 HydrophobicContact CG1-CG2 4.13Å; V180-I272 HydrophobicContact CG2-CG2 4.16Å; I183-I272 HydrophobicContact CG2-CD1 3.87Å; I184-I272 HydrophobicContact CG1-CG1 4.43Å; V250-I272 PolarHBondContact O-N 3.27Å; I251-I272 CarbonylContact C-O 3.54Å; I251-I272 WeakPolarHBondContact CA-O 3.43Å; I251-I272 HydrophobicContact CG1-CB 4.16Å; I251-I272 HydrophobicContact CG1-CG1 4.34Å; I251-I272 HydrophobicContact CG2-CB 4.38Å; S252-I272 PolarHBondContact N-O 3.35Å; I272-V274 HydrophobicContact CG2-CG2 4.48Å; I272-T306 HydrophobicContact CD1-CG2 3.8Å; I272-T306 HydrophobicContact CG2-CG2 4.14Å; I272-V312 HydrophobicContact CG2-CG2 3.68Å
273	D	98.7	Very high	93.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	105.4	-179.3	-163.7	-10.6	0	0	0	110.5	G275 G291 D292 V293 T306 V308 V312	D273-G275 PolarHBondContact OD1-N 2.92Å; D273-G291 WeakPolarHBondContact OD2-CA 3.46Å; D273-D292 VanDerWaalsContact CG-N 3.34Å; D273-D292 PolarHBondContact OD1-N 2.82Å; D273-D292 PolarHBondContact OD2-N 2.84Å; D273-V293 HydrophobicContact CB-CB 4.33Å; D273-V293 HydrophobicContact CB-CG2 3.72Å; D273-V293 VanDerWaalsContact OD2-CB 3.27Å; D273-V293 WeakPolarHBondContact OD2-CB 3.32Å; D273-V293 WeakPolarHBondContact OD2-CG2 3.47Å; D273-V293 PolarHBondContact OD2-N 3.1Å; D273-T306 PolarHBondContact N-OG1 2.99Å; D273-V308 HydrophobicContact CB-CG2 3.88Å; D273-V312 WeakPolarHBondContact O-CG2 3.25Å
274	V	98.4	Very high	93.4	Very high	18 Å²	18	53 Å²	53	11%	0.109	29%	0.287	C	S	.	.			trans	-93.2	-14.3	176.6	-166.9	0	0	0	0	110.8	T176 V180 V205 I209 I251 S252 A253 I272 V312	T176-V274 HydrophobicContact CG2-CG1 3.51Å; V180-V274 HydrophobicContact CG2-CG2 3.75Å; V205-V274 HydrophobicContact CG1-CG1 3.73Å; I209-V274 HydrophobicContact CD1-CG2 4.31Å; I251-V274 HydrophobicContact CG2-CG2 3.76Å; S252-V274 WeakPolarHBondContact O-CA 3.42Å; S252-V274 WeakPolarHBondContact O-CB 3.45Å; S252-V274 PolarHBondContact O-N 2.88Å; A253-V274 HydrophobicContact CB-CB 3.91Å; A253-V274 HydrophobicContact CB-CG1 4.29Å; A253-V274 HydrophobicContact CB-CG2 4.29Å; I272-V274 HydrophobicContact CG2-CG2 4.48Å; V274-V312 HydrophobicContact CG1-CG1 4.07Å; V274-V312 HydrophobicContact CG2-CG1 4.45Å; V274-V312 HydrophobicContact CG2-CG2 4.18Å
275	G	94.3	Very high	92.8	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.031	32%	0.316	C	S	.	.			trans	-59.2	141.3	-178.7	0	0	0	0	0	112.1	S252 D273 G291 D292	S252-G275 PolarHBondContact O-N 3.09Å; D273-G275 PolarHBondContact OD1-N 2.92Å; G275-G291 WeakPolarHBondContact O-CA 3.2Å; G275-D292 WeakPolarHBondContact CA-OD1 3.39Å
276	I	92.1	Very high	92.3	Very high	76 Å²	76	63.4 Å²	63.4	39%	0.39	35%	0.346	S	S	.	.			trans	-137.3	106.1	173.3	-58.2	-178.3	0	0	0	107.8	Y84 L289	Y84-I276 WeakPolarHBondContact OH-CD1 3.48Å; I276-L289 HydrophobicContact CG2-CD2 3.83Å
277	N	91.3	Very high	91.8	Very high	19 Å²	19	64.6 Å²	64.6	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.8	-175.6	-56.5	-61.8	0	0	0	109.3	G255 P257 L289 V290 G291 D292	G255-N277 VanDerWaalsContact CA-OD1 3.25Å; G255-N277 WeakPolarHBondContact CA-OD1 3.28Å; G255-N277 PolarHBondContact O-OD1 3.12Å; P257-N277 HydrophobicContact CG-CB 3.62Å; N277-L289 WeakPolarHBondContact O-CA 3.3Å; N277-V290 HydrophobicContact CB-CG2 3.96Å; N277-V290 WeakPolarHBondContact CB-O 3.34Å; N277-V290 PolarHBondContact N-O 2.93Å; N277-V290 PolarHBondContact O-N 2.81Å; N277-G291 VanDerWaalsContact ND2-C 3.32Å; N277-G291 PolarHBondContact ND2-O 2.85Å; N277-D292 PolarHBondContact ND2-OD1 3.42Å
278	R	88.9	Confident	91.4	Very high	152 Å²	152	62.9 Å²	62.9	57%	0.574	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.6	170.4	-75.9	176.3	175.4	172.4	-3.1	108.6	A80 L289	A80-R278 VanDerWaalsContact CA-NH2 3.29Å; A80-R278 VanDerWaalsContact CB-NH2 3.33Å; R278-L289 HydrophobicContact CG-CD2 3.55Å
279	V	88.9	Confident	91.1	Very high	45 Å²	45	63.9 Å²	63.9	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	165.4	174.4	-61	0	0	0	0	109.5	P257 P287 K288 V290	P257-V279 HydrophobicContact CG-CG1 3.99Å; V279-P287 CarbonylContact O-C 3.59Å; V279-P287 WeakPolarHBondContact O-CA 3.48Å; V279-K288 HydrophobicContact CG2-CB 4.25Å; V279-K288 PolarHBondContact N-O 3.37Å; V279-K288 PolarHBondContact O-N 2.96Å; V279-V290 HydrophobicContact CB-CG2 4.31Å; V279-V290 HydrophobicContact CG1-CG2 3.66Å; V279-V290 HydrophobicContact CG2-CB 4.3Å; V279-V290 HydrophobicContact CG2-CG1 3.66Å; V279-V290 HydrophobicContact CG2-CG2 3.66Å
280	H	88.6	Confident	91	Very high	141 Å²	141	65.4 Å²	65.4	65%	0.653	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.2	170	-66.1	83.8	0	0	0	108.7
281	D	82.7	Confident	90.9	Very high	33 Å²	33	65.6 Å²	65.6	18%	0.176	36%	0.357	C	S	.	.			trans	-61.8	123.1	170.3	-170.8	-70.9	0	0	0	108.8	V283 T284 A285 K286	D281-V283 PolarHBondContact O-N 3.31Å; D281-V283 WeakPolarHBondContact OD1-CA 3.05Å; D281-V283 WeakPolarHBondContact OD1-CB 3.38Å; D281-V283 PolarHBondContact OD1-N 3.46Å; D281-T284 WeakPolarHBondContact CB-OG1 3.46Å; D281-T284 PolarHBondContact OD1-N 2.83Å; D281-A285 WeakPolarHBondContact O-CA 3.41Å; D281-A285 PolarHBondContact O-N 3.15Å; D281-K286 WeakPolarHBondContact CB-O 3.32Å; D281-K286 PolarHBondContact N-O 3.44Å
282	P	80	Confident	90.9	Very high	131 Å²	131	65.6 Å²	65.6	85%	0.851	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.3	-175.4	26.8	-34	0	0	0	112.9
283	V	85.1	Confident	90.9	Very high	134 Å²	134	66 Å²	66	81%	0.812	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-48.9	179.2	-176.9	0	0	0	0	110.6	D281	D281-V283 PolarHBondContact O-N 3.31Å; D281-V283 WeakPolarHBondContact OD1-CA 3.05Å; D281-V283 WeakPolarHBondContact OD1-CB 3.38Å; D281-V283 PolarHBondContact OD1-N 3.46Å
284	T	87.1	Confident	90.9	Very high	80 Å²	80	68.4 Å²	68.4	49%	0.491	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5.9	-172.6	79.3	0	0	0	0	114.1	D281 K286	D281-T284 WeakPolarHBondContact CB-OG1 3.46Å; D281-T284 PolarHBondContact OD1-N 2.83Å; T284-K286 PolarHBondContact O-N 3.46Å; T284-K286 WeakPolarHBondContact OG1-CB 3.36Å; T284-K286 PolarHBondContact OG1-N 2.92Å
285	A	86	Confident	90.9	Very high	74 Å²	74	69.7 Å²	69.7	61%	0.612	38%	0.377	S	S	*	.			trans	54.2	12.4	-171.5	0	0	0	0	0	114.9	D281	D281-A285 WeakPolarHBondContact O-CA 3.41Å; D281-A285 PolarHBondContact O-N 3.15Å
286	K	88.3	Confident	91	Very high	146 Å²	146	74.8 Å²	74.8	64%	0.635	40%	0.4	S	S	*	.			trans	-85.7	147.1	-178.5	-69.4	-175.4	179	179.7	0	110	D281 T284 K288	D281-K286 WeakPolarHBondContact CB-O 3.32Å; D281-K286 PolarHBondContact N-O 3.44Å; T284-K286 PolarHBondContact O-N 3.46Å; T284-K286 WeakPolarHBondContact OG1-CB 3.36Å; T284-K286 PolarHBondContact OG1-N 2.92Å; K286-K288 PolarHBondContact O-N 3.22Å
287	P	87.3	Confident	91.3	Very high	105 Å²	105	71.9 Å²	71.9	68%	0.682	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	128.6	170.9	-23.2	33.4	0	0	0	111	V279	V279-P287 CarbonylContact O-C 3.59Å; V279-P287 WeakPolarHBondContact O-CA 3.48Å
288	K	89.1	Confident	91.6	Very high	108 Å²	108	71 Å²	71	47%	0.47	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142	176.7	-178.2	177.8	179.1	178.3	0	109.2	V279 K286 V290	V279-K288 HydrophobicContact CG2-CB 4.25Å; V279-K288 PolarHBondContact N-O 3.37Å; V279-K288 PolarHBondContact O-N 2.96Å; K286-K288 PolarHBondContact O-N 3.22Å; K288-V290 HydrophobicContact CD-CG1 4.18Å; K288-V290 HydrophobicContact CG-CG1 4.15Å
289	L	91.6	Very high	92	Very high	68 Å²	68	66.6 Å²	66.6	36%	0.356	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.2	169.4	-69.1	174.4	0	0	0	109.3	I276 N277 R278	I276-L289 HydrophobicContact CG2-CD2 3.83Å; N277-L289 WeakPolarHBondContact O-CA 3.3Å; R278-L289 HydrophobicContact CG-CD2 3.55Å
290	V	95.8	Very high	92.4	Very high	34 Å²	34	71 Å²	71	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.4	173.2	-60.2	0	0	0	0	109.1	P257 N277 V279 K288	P257-V290 HydrophobicContact CB-CG2 4.22Å; P257-V290 HydrophobicContact CG-CG2 4.26Å; N277-V290 HydrophobicContact CB-CG2 3.96Å; N277-V290 WeakPolarHBondContact CB-O 3.34Å; N277-V290 PolarHBondContact N-O 2.93Å; N277-V290 PolarHBondContact O-N 2.81Å; V279-V290 HydrophobicContact CB-CG2 4.31Å; V279-V290 HydrophobicContact CG1-CG2 3.66Å; V279-V290 HydrophobicContact CG2-CB 4.3Å; V279-V290 HydrophobicContact CG2-CG1 3.66Å; V279-V290 HydrophobicContact CG2-CG2 3.66Å; K288-V290 HydrophobicContact CD-CG1 4.18Å; K288-V290 HydrophobicContact CG-CG1 4.15Å
291	G	97.6	Very high	92.8	Very high	6 Å²	6	67.3 Å²	67.3	6%	0.062	37%	0.367	C	S	.	.			trans	-87.4	-161.5	175.6	0	0	0	0	0	112.4	D273 G275 N277	D273-G291 WeakPolarHBondContact OD2-CA 3.46Å; G275-G291 WeakPolarHBondContact O-CA 3.2Å; N277-G291 VanDerWaalsContact ND2-C 3.32Å; N277-G291 PolarHBondContact ND2-O 2.85Å
292	D	98.5	Very high	93.6	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	-89.9	-12.8	175.7	-68	-10.1	0	0	0	112.6	S252 A254 G255 I256 N258 L259 I260 D273 G275 N277	S252-D292 WeakPolarHBondContact OG-CB 3.45Å; S252-D292 PolarHBondContact OG-OD2 2.96Å; S252-D292 VanDerWaalsContact OG-OD2 3.13Å; A254-D292 WeakPolarHBondContact CA-OD2 3.24Å; A254-D292 PolarHBondContact N-OD2 3.49Å; G255-D292 WeakPolarHBondContact CA-OD1 3.47Å; G255-D292 PolarHBondContact N-OD1 3.48Å; G255-D292 VanDerWaalsContact N-OD1 3.09Å; G255-D292 PolarHBondContact N-OD2 3.01Å; I256-D292 PolarHBondContact N-OD1 3.07Å; I256-D292 VanDerWaalsContact O-CA 3.24Å; I256-D292 WeakPolarHBondContact O-CA 3.13Å; I256-D292 WeakPolarHBondContact O-CB 3.36Å; N258-D292 CarbonylContact C-O 3.54Å; N258-D292 WeakPolarHBondContact CA-O 3.38Å; N258-D292 PolarHBondContact N-O 3.45Å; L259-D292 PolarHBondContact N-O 3.12Å; I260-D292 PolarHBondContact N-O 3.21Å; I260-D292 VanDerWaalsContact N-O 3.15Å; D273-D292 VanDerWaalsContact CG-N 3.34Å; D273-D292 PolarHBondContact OD1-N 2.82Å; D273-D292 PolarHBondContact OD2-N 2.84Å; G275-D292 WeakPolarHBondContact CA-OD1 3.39Å; N277-D292 PolarHBondContact ND2-OD1 3.42Å
293	V	98.6	Very high	94.4	Very high	8 Å²	8	60.8 Å²	60.8	5%	0.048	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-98.8	137.1	-174.8	-175.8	0	0	0	0	110.3	I260 V271 D273 F295 V298 I305	I260-V293 HydrophobicContact CB-CB 4.48Å; I260-V293 HydrophobicContact CB-CG1 4.42Å; I260-V293 HydrophobicContact CB-CG2 4.04Å; I260-V293 HydrophobicContact CG1-CG2 4.42Å; I260-V293 HydrophobicContact CG2-CG1 4.47Å; I260-V293 HydrophobicContact CG2-CG2 4.48Å; V271-V293 HydrophobicContact CG1-CG1 4.03Å; V271-V293 HydrophobicContact CG1-CG2 3.78Å; D273-V293 HydrophobicContact CB-CB 4.33Å; D273-V293 HydrophobicContact CB-CG2 3.72Å; D273-V293 VanDerWaalsContact OD2-CB 3.27Å; D273-V293 WeakPolarHBondContact OD2-CB 3.32Å; D273-V293 WeakPolarHBondContact OD2-CG2 3.47Å; D273-V293 PolarHBondContact OD2-N 3.1Å; V293-F295 VanDerWaalsContact C-N 3.25Å; V293-F295 PolarHBondContact O-N 3.48Å; V293-V298 HydrophobicContact CG1-CB 3.78Å; V293-V298 HydrophobicContact CG1-CG1 4Å; V293-V298 HydrophobicContact CG1-CG2 3.66Å; V293-I305 HydrophobicContact CG1-CD1 4.33Å
294	D	98.2	Very high	95.1	Very high	55 Å²	55	58.1 Å²	58.1	29%	0.294	31%	0.307	S	S	.	.			trans	-68.2	87	162.3	170.5	21	0	0	0	109.1	I260 T261 E296 G297 V298	I260-D294 PolarHBondContact O-N 3.32Å; T261-D294 HydrophobicContact CG2-CB 4.23Å; D294-E296 PolarHBondContact O-N 2.95Å; D294-G297 PolarHBondContact O-N 2.92Å; D294-G297 PolarHBondContact OD1-N 2.81Å; D294-V298 VanDerWaalsContact O-CB 3.28Å; D294-V298 WeakPolarHBondContact O-CB 3.33Å; D294-V298 VanDerWaalsContact O-CG2 3.25Å; D294-V298 WeakPolarHBondContact O-CG2 3.37Å; D294-V298 PolarHBondContact O-N 3.27Å
295	F	98.1	Very high	95.6	Very high	46 Å²	46	54.3 Å²	54.3	20%	0.202	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-45.4	-169.4	-177.6	-90.2	0	0	0	113	V39 V293 V298 R299 I305 P307	V39-F295 HydrophobicContact CG1-CE2 4.49Å; V39-F295 HydrophobicContact CG1-CZ 4.07Å; V39-F295 HydrophobicContact CG2-CZ 3.9Å; V293-F295 VanDerWaalsContact C-N 3.25Å; V293-F295 PolarHBondContact O-N 3.48Å; F295-V298 PolarHBondContact O-N 2.83Å; F295-R299 VanDerWaalsContact O-CB 3.29Å; F295-R299 WeakPolarHBondContact O-CB 3.28Å; F295-R299 VanDerWaalsContact O-CG 3.28Å; F295-R299 WeakPolarHBondContact O-CG 3.33Å; F295-R299 PolarHBondContact O-N 3.29Å; F295-I305 HydrophobicContact CD2-CD1 3.46Å; F295-I305 VanDerWaalsContact CD2-CD1 3.46Å; F295-I305 HydrophobicContact CD2-CG1 3.9Å; F295-I305 HydrophobicContact CE2-CB 4.4Å; F295-I305 HydrophobicContact CE2-CD1 3.79Å; F295-I305 HydrophobicContact CE2-CG1 3.85Å; F295-I305 HydrophobicContact CE2-CG2 3.74Å; F295-I305 HydrophobicContact CG-CD1 4.14Å; F295-I305 HydrophobicContact CZ-CG2 4.08Å; F295-P307 HydrophobicContact CE2-CB 3.91Å; F295-P307 HydrophobicContact CZ-CB 4.27Å
296	E	97.3	Very high	96.3	Very high	109 Å²	109	50.8 Å²	50.8	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-71.4	-34.2	-175.6	-65.4	-55.7	149.4	0	0	112.6	D294 R299 Q300	D294-E296 PolarHBondContact O-N 2.95Å; E296-R299 WeakPolarHBondContact O-CG 3.37Å; E296-R299 IonicContact OE1-NH1 3.59Å; E296-R299 VanDerWaalsContact OE2-CD 3.26Å; E296-R299 WeakPolarHBondContact OE2-CD 3.43Å; E296-R299 IonicContact OE2-NH1 2.69Å; E296-R299 PolarHBondContact OE2-NH1 3.27Å; E296-Q300 PolarHBondContact O-NE2 2.95Å
297	G	97.6	Very high	96.7	Very high	16 Å²	16	45.2 Å²	45.2	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-48.1	172.1	0	0	0	0	0	111.8	D294 R299 Q300	D294-G297 PolarHBondContact O-N 2.92Å; D294-G297 PolarHBondContact OD1-N 2.81Å; G297-R299 PolarHBondContact O-N 3.2Å; G297-Q300 PolarHBondContact O-N 3.4Å
298	V	98.4	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-33.5	-172.7	172.7	0	0	0	0	112.6	I265 V271 V293 D294 F295 Q300 K301 A302 I305	I265-V298 HydrophobicContact CG1-CG1 3.88Å; I265-V298 HydrophobicContact CG1-CG2 4.08Å; I265-V298 HydrophobicContact CG2-CG1 4.44Å; V271-V298 HydrophobicContact CB-CG1 4.24Å; V271-V298 HydrophobicContact CG1-CG1 4.26Å; V271-V298 HydrophobicContact CG2-CG1 3.8Å; V293-V298 HydrophobicContact CG1-CB 3.78Å; V293-V298 HydrophobicContact CG1-CG1 4Å; V293-V298 HydrophobicContact CG1-CG2 3.66Å; D294-V298 VanDerWaalsContact O-CB 3.28Å; D294-V298 WeakPolarHBondContact O-CB 3.33Å; D294-V298 VanDerWaalsContact O-CG2 3.25Å; D294-V298 WeakPolarHBondContact O-CG2 3.37Å; D294-V298 PolarHBondContact O-N 3.27Å; F295-V298 PolarHBondContact O-N 2.83Å; V298-Q300 PolarHBondContact O-N 2.87Å; V298-Q300 VanDerWaalsContact O-N 3.1Å; V298-K301 PolarHBondContact O-N 3.48Å; V298-A302 HydrophobicContact CG1-CB 4.05Å; V298-A302 WeakPolarHBondContact O-CB 3.47Å; V298-A302 PolarHBondContact O-N 3.42Å; V298-I305 HydrophobicContact CB-CD1 4.12Å; V298-I305 HydrophobicContact CG1-CD1 3.92Å
299	R	97.9	Very high	97.5	Very high	59 Å²	59	40.2 Å²	40.2	22%	0.223	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.6	177.2	70.8	179.7	-71.8	-171.2	-4.8	113.8	E36 A37 F295 E296 G297 K301 I305	E36-R299 CarbonylContact C-O 3.59Å; E36-R299 WeakPolarHBondContact CA-O 3.36Å; E36-R299 IonicContact OE2-CZ 2.65Å; E36-R299 IonicContact OE2-NE 3.47Å; E36-R299 IonicContact OE2-NH2 3.42Å; E36-R299 PolarHBondContact OE2-NH2 3.2Å; A37-R299 HydrophobicContact CB-CB 4.17Å; A37-R299 VanDerWaalsContact CB-O 3.29Å; A37-R299 WeakPolarHBondContact CB-O 3.48Å; A37-R299 PolarHBondContact N-O 3.36Å; F295-R299 VanDerWaalsContact O-CB 3.29Å; F295-R299 WeakPolarHBondContact O-CB 3.28Å; F295-R299 VanDerWaalsContact O-CG 3.28Å; F295-R299 WeakPolarHBondContact O-CG 3.33Å; F295-R299 PolarHBondContact O-N 3.29Å; E296-R299 WeakPolarHBondContact O-CG 3.37Å; E296-R299 IonicContact OE1-NH1 3.59Å; E296-R299 VanDerWaalsContact OE2-CD 3.26Å; E296-R299 WeakPolarHBondContact OE2-CD 3.43Å; E296-R299 IonicContact OE2-NH1 2.69Å; E296-R299 PolarHBondContact OE2-NH1 3.27Å; G297-R299 PolarHBondContact O-N 3.2Å; R299-K301 VanDerWaalsContact C-N 3.26Å; R299-I305 HydrophobicContact CB-CD1 4.41Å; R299-I305 HydrophobicContact CB-CG2 4.18Å
300	Q	97.4	Very high	97.8	Very high	137 Å²	137	37.4 Å²	37.4	64%	0.64	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	177.6	-61.2	173.7	36.8	0	0	112.5	E296 G297 V298	E296-Q300 PolarHBondContact O-NE2 2.95Å; G297-Q300 PolarHBondContact O-N 3.4Å; V298-Q300 PolarHBondContact O-N 2.87Å; V298-Q300 VanDerWaalsContact O-N 3.1Å
301	K	96.8	Very high	97.9	Very high	65 Å²	65	35.9 Å²	35.9	28%	0.283	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-37.1	-174.3	-166.6	177.4	-167	-171.6	0	113.5	A262 I265 E267 G268 V298 R299	A262-K301 WeakPolarHBondContact O-CD 3.34Å; A262-K301 PolarHBondContact O-NZ 2.9Å; A262-K301 VanDerWaalsContact O-NZ 3.12Å; I265-K301 HydrophobicContact CB-CD 4.42Å; I265-K301 WeakPolarHBondContact O-CD 3.07Å; I265-K301 WeakPolarHBondContact O-CE 3.48Å; I265-K301 PolarHBondContact O-NZ 2.74Å; E267-K301 WeakPolarHBondContact CA-O 3.27Å; E267-K301 HydrophobicContact CB-CG 4.41Å; G268-K301 PolarHBondContact N-O 3.06Å; V298-K301 PolarHBondContact O-N 3.48Å; R299-K301 VanDerWaalsContact C-N 3.26Å
302	A	98.3	Very high	97.9	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	19%	0.188	C	C	.	.			trans	-65.6	151.5	178	0	0	0	0	0	111.1	A37 I265 A269 V271 V298	A37-A302 WeakPolarHBondContact CA-O 3.5Å; A37-A302 HydrophobicContact CB-CB 4.06Å; A37-A302 WeakPolarHBondContact CB-O 3.42Å; I265-A302 HydrophobicContact CG2-CB 4.38Å; A269-A302 CarbonylContact O-C 3.59Å; A269-A302 WeakPolarHBondContact O-CA 3.24Å; A269-A302 WeakPolarHBondContact O-CB 3.21Å; V271-A302 HydrophobicContact CG2-CB 3.92Å; V298-A302 HydrophobicContact CG1-CB 4.05Å; V298-A302 WeakPolarHBondContact O-CB 3.47Å; V298-A302 PolarHBondContact O-N 3.42Å
303	G	98.3	Very high	97.8	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	20%	0.201	C	C	.	.	S	Bend	trans	-79.2	-32.8	167.6	0	0	0	0	0	111.6	V38 G268 A269	V38-G303 PolarHBondContact N-O 3.41Å; G268-G303 VanDerWaalsContact C-N 3.27Å; G268-G303 PolarHBondContact O-N 3.36Å; A269-G303 PolarHBondContact O-N 3.39Å
304	Y	98.8	Very high	97.8	Very high	78 Å²	78	38.5 Å²	38.5	31%	0.306	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.6	179.2	-61.2	-89.5	0	0	0	110.9	V38 I40 T187 I189 A269 A270 V271	V38-Y304 HydrophobicContact CB-CD1 3.66Å; V38-Y304 HydrophobicContact CB-CE1 3.93Å; V38-Y304 HydrophobicContact CG1-CD1 4.1Å; V38-Y304 HydrophobicContact CG1-CE1 4.23Å; V38-Y304 HydrophobicContact CG2-CD1 4.3Å; V38-Y304 HydrophobicContact CG2-CE1 4.12Å; V38-Y304 WeakPolarHBondContact O-CA 3.35Å; I40-Y304 HydrophobicContact CD1-CD1 4.3Å; I40-Y304 HydrophobicContact CD1-CG 4.47Å; I40-Y304 HydrophobicContact CG1-CD1 4.26Å; T187-Y304 HydrophobicContact CG2-CD1 3.65Å; T187-Y304 HydrophobicContact CG2-CE1 3.58Å; I189-Y304 HydrophobicContact CD1-CD1 4.39Å; I189-Y304 HydrophobicContact CD1-CD2 4.11Å; I189-Y304 HydrophobicContact CD1-CG 3.98Å; I189-Y304 HydrophobicContact CG1-CD2 4.07Å; I189-Y304 HydrophobicContact CG1-CE2 4.16Å; I189-Y304 HydrophobicContact CG1-CG 4.35Å; A269-Y304 PolarHBondContact O-N 2.9Å; A270-Y304 HydrophobicContact CB-CD2 4.41Å; V271-Y304 PolarHBondContact N-O 2.89Å
305	I	98.8	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138.2	175.7	-167.7	170.2	0	0	0	111.3	A37 V38 V39 I40 V271 V293 F295 V298 R299	A37-I305 HydrophobicContact CB-CB 4.24Å; A37-I305 HydrophobicContact CB-CG2 3.73Å; V38-I305 PolarHBondContact O-N 3.02Å; V39-I305 CarbonylContact C-O 3.14Å; V39-I305 WeakPolarHBondContact CA-O 3.39Å; V39-I305 HydrophobicContact CG2-CG2 4.13Å; I40-I305 PolarHBondContact N-O 3.43Å; V271-I305 HydrophobicContact CB-CG1 4.29Å; V271-I305 VanDerWaalsContact O-CA 3.3Å; V271-I305 WeakPolarHBondContact O-CA 3.17Å; V293-I305 HydrophobicContact CG1-CD1 4.33Å; F295-I305 HydrophobicContact CD2-CD1 3.46Å; F295-I305 VanDerWaalsContact CD2-CD1 3.46Å; F295-I305 HydrophobicContact CD2-CG1 3.9Å; F295-I305 HydrophobicContact CE2-CB 4.4Å; F295-I305 HydrophobicContact CE2-CD1 3.79Å; F295-I305 HydrophobicContact CE2-CG1 3.85Å; F295-I305 HydrophobicContact CE2-CG2 3.74Å; F295-I305 HydrophobicContact CG-CD1 4.14Å; F295-I305 HydrophobicContact CZ-CG2 4.08Å; V298-I305 HydrophobicContact CB-CD1 4.12Å; V298-I305 HydrophobicContact CG1-CD1 3.92Å; R299-I305 HydrophobicContact CB-CD1 4.41Å; R299-I305 HydrophobicContact CB-CG2 4.18Å
306	T	98.8	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.			trans	-91.9	135.1	169.6	58.9	0	0	0	0	111	I40 I183 V271 I272 D273	I40-T306 HydrophobicContact CB-CG2 4.09Å; I40-T306 HydrophobicContact CD1-CG2 4.24Å; I183-T306 HydrophobicContact CD1-CG2 4.28Å; I183-T306 HydrophobicContact CG2-CG2 4.14Å; V271-T306 PolarHBondContact O-N 2.93Å; I272-T306 HydrophobicContact CD1-CG2 3.8Å; I272-T306 HydrophobicContact CG2-CG2 4.14Å; D273-T306 PolarHBondContact N-OG1 2.99Å
307	P	98.3	Very high	97.8	Very high	29 Å²	29	30.8 Å²	30.8	19%	0.188	18%	0.177	C	C	.	.			trans	-79.8	154.5	176	33.6	-33.5	0	0	0	111.6	V39 I40 F295 P309 G311	V39-P307 HydrophobicContact CG1-CB 4.19Å; V39-P307 HydrophobicContact CG1-CG 3.88Å; I40-P307 WeakPolarHBondContact O-CD 3.2Å; F295-P307 HydrophobicContact CE2-CB 3.91Å; F295-P307 HydrophobicContact CZ-CB 4.27Å; P307-P309 CarbonylContact O-C 3.19Å; P307-G311 VanDerWaalsContact O-CA 3.24Å; P307-G311 WeakPolarHBondContact O-CA 3.29Å; P307-G311 PolarHBondContact O-N 2.9Å
308	V	97.7	Very high	97.9	Very high	33 Å²	33	30.1 Å²	30.1	20%	0.2	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	119.2	165.9	-179.7	0	0	0	0	108.7	D273	D273-V308 HydrophobicContact CB-CG2 3.88Å
309	P	95.4	Very high	97.9	Very high	75 Å²	75	30.3 Å²	30.3	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	cis	-77.2	167	-2.5	33.6	-36.6	0	0	0	113.3	P307	P307-P309 CarbonylContact O-C 3.19Å
310	G	96.6	Very high	97.9	Very high	9 Å²	9	27.5 Å²	27.5	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	-4.6	170.2	0	0	0	0	0	115.9	G42 R43	G42-G310 CarbonylContact C-O 3.59Å; G42-G310 WeakPolarHBondContact CA-O 3.23Å; G42-G310 PolarHBondContact N-O 3Å; R43-G310 PolarHBondContact N-O 2.9Å
311	G	98.2	Very high	98	Very high	1 Å²	1	21 Å²	21	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	-88.6	-105.7	169.9	0	0	0	0	0	112.2	G42 P307 G313 P314	G42-G311 WeakPolarHBondContact CA-O 3.45Å; P307-G311 VanDerWaalsContact O-CA 3.24Å; P307-G311 WeakPolarHBondContact O-CA 3.29Å; P307-G311 PolarHBondContact O-N 2.9Å; G311-G313 PolarHBondContact O-N 3.02Å; G311-P314 WeakPolarHBondContact O-CD 3.41Å
312	V	98.4	Very high	98.1	Very high	6 Å²	6	20 Å²	20	4%	0.036	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-35.6	-169.8	-177.4	0	0	0	0	113.6	T176 V180 I183 I272 D273 V274 M315 T316	T176-V312 HydrophobicContact CG2-CG1 3.95Å; V180-V312 HydrophobicContact CG2-CG1 3.77Å; V180-V312 HydrophobicContact CG2-CG2 4.15Å; I183-V312 HydrophobicContact CD1-CG2 3.93Å; I272-V312 HydrophobicContact CG2-CG2 3.68Å; D273-V312 WeakPolarHBondContact O-CG2 3.25Å; V274-V312 HydrophobicContact CG1-CG1 4.07Å; V274-V312 HydrophobicContact CG2-CG1 4.45Å; V274-V312 HydrophobicContact CG2-CG2 4.18Å; V312-M315 WeakPolarHBondContact O-CA 3.49Å; V312-M315 VanDerWaalsContact O-CB 3.32Å; V312-M315 WeakPolarHBondContact O-CB 3.48Å; V312-M315 PolarHBondContact O-N 2.81Å; V312-T316 PolarHBondContact O-N 3.18Å; V312-T316 PolarHBondContact O-OG1 2.96Å
313	G	96.4	Very high	98.1	Very high	26 Å²	26	19.9 Å²	19.9	27%	0.268	12%	0.124	S	C	.	.	H	α-helix	trans	-53.6	-51.9	-176	0	0	0	0	0	115.2	G311 M315 T316 V317	G311-G313 PolarHBondContact O-N 3.02Å; G313-M315 VanDerWaalsContact C-N 3.27Å; G313-M315 PolarHBondContact O-N 2.85Å; G313-T316 WeakPolarHBondContact O-CB 3.42Å; G313-T316 PolarHBondContact O-N 3.14Å; G313-V317 PolarHBondContact O-N 2.76Å
314	P	97.6	Very high	98.1	Very high	38 Å²	38	18.9 Å²	18.9	25%	0.247	11%	0.113	C	C	.	.	H	α-helix	trans	-56.6	-35.9	172.6	-28	33.8	0	0	0	114.5	R43 A46 G311 V317 A318	R43-P314 HydrophobicContact CG-CB 4.35Å; R43-P314 HydrophobicContact CG-CG 3.76Å; A46-P314 HydrophobicContact CB-CB 3.79Å; A46-P314 WeakPolarHBondContact CB-O 3.43Å; G311-P314 WeakPolarHBondContact O-CD 3.41Å; P314-V317 PolarHBondContact O-N 3.13Å; P314-A318 PolarHBondContact O-N 3.09Å; P314-A318 VanDerWaalsContact O-N 3.13Å
315	M	98.6	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-40.1	178.2	-63.5	-67.1	-65.7	0	0	111.5	L45 A46 I49 E182 I183 V312 G313 V317 A318 M319	L45-M315 HydrophobicContact CB-CE 4.09Å; L45-M315 HydrophobicContact CB-SD 3.47Å; L45-M315 WeakPolarHBondContact CB-SD 3.37Å; A46-M315 HydrophobicContact CB-SD 4.01Å; A46-M315 PolarHBondContact N-SD 3.13Å; A46-M315 VanDerWaalsContact N-SD 3.38Å; I49-M315 HydrophobicContact CD1-CE 3.31Å; I49-M315 HydrophobicContact CD1-SD 4.06Å; E182-M315 HydrophobicContact CB-CE 3.62Å; I183-M315 HydrophobicContact CD1-CB 4.41Å; I183-M315 HydrophobicContact CD1-CG 3.74Å; I183-M315 HydrophobicContact CG1-CE 4.14Å; I183-M315 HydrophobicContact CG1-CG 3.8Å; I183-M315 HydrophobicContact CG1-SD 4.38Å; V312-M315 WeakPolarHBondContact O-CA 3.49Å; V312-M315 VanDerWaalsContact O-CB 3.32Å; V312-M315 WeakPolarHBondContact O-CB 3.48Å; V312-M315 PolarHBondContact O-N 2.81Å; G313-M315 VanDerWaalsContact C-N 3.27Å; G313-M315 PolarHBondContact O-N 2.85Å; M315-V317 PolarHBondContact O-N 2.82Å; M315-A318 PolarHBondContact O-N 2.93Å; M315-A318 VanDerWaalsContact O-N 3.13Å; M315-M319 WeakPolarHBondContact O-CG 3.48Å; M315-M319 PolarHBondContact O-N 2.81Å
316	T	97.9	Very high	98	Very high	28 Å²	28	16.8 Å²	16.8	17%	0.172	11%	0.107	C	C	.	.	H	α-helix	trans	-53.1	-44.1	173.9	-59.1	0	0	0	0	111.5	A175 T176 V312 G313 L320	A175-T316 HydrophobicContact CB-CG2 4.2Å; A175-T316 WeakPolarHBondContact CB-O 3.42Å; T176-T316 WeakPolarHBondContact OG1-CG2 3.22Å; T176-T316 PolarHBondContact OG1-OG1 3.12Å; V312-T316 PolarHBondContact O-N 3.18Å; V312-T316 PolarHBondContact O-OG1 2.96Å; G313-T316 WeakPolarHBondContact O-CB 3.42Å; G313-T316 PolarHBondContact O-N 3.14Å; T316-L320 PolarHBondContact O-N 3.07Å
317	V	98.1	Very high	98	Very high	20 Å²	20	17.1 Å²	17.1	12%	0.121	11%	0.11	C	C	.	.	H	α-helix	trans	-69.2	-42.5	179.1	179	0	0	0	0	111.3	A91 G313 P314 M315 M319 L320 M321	A91-V317 HydrophobicContact CB-CG1 3.37Å; G313-V317 PolarHBondContact O-N 2.76Å; P314-V317 PolarHBondContact O-N 3.13Å; M315-V317 PolarHBondContact O-N 2.82Å; V317-M319 PolarHBondContact O-N 3.39Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 PolarHBondContact O-N 3.21Å; V317-M321 WeakPolarHBondContact O-CG 2.89Å; V317-M321 PolarHBondContact O-N 3.45Å
318	A	98.6	Very high	97.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-41.6	178.5	0	0	0	0	0	112.4	A46 I49 K50 P314 M315 L320 M321 K322	A46-A318 HydrophobicContact CB-CB 3.94Å; I49-A318 HydrophobicContact CB-CB 4.09Å; I49-A318 HydrophobicContact CG2-CB 3.84Å; K50-A318 HydrophobicContact CG-CB 4.32Å; P314-A318 PolarHBondContact O-N 3.09Å; P314-A318 VanDerWaalsContact O-N 3.13Å; M315-A318 PolarHBondContact O-N 2.93Å; M315-A318 VanDerWaalsContact O-N 3.13Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 3.18Å; A318-M321 WeakPolarHBondContact O-CB 3.3Å; A318-M321 PolarHBondContact O-N 3.17Å; A318-M321 VanDerWaalsContact O-N 3.16Å; A318-K322 PolarHBondContact O-N 2.91Å; A318-K322 VanDerWaalsContact O-N 3.07Å
319	M	98.7	Very high	97.8	Very high	4 Å²	4	17 Å²	17	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-69.1	-31.9	178.7	-61.3	-32.7	-69	0	0	112.8	I49 A175 W178 E182 M315 V317 M321 K322 N323	I49-M319 HydrophobicContact CD1-SD 3.77Å; I49-M319 HydrophobicContact CG2-SD 4.2Å; A175-M319 HydrophobicContact CB-CB 4.13Å; W178-M319 HydrophobicContact CB-CG 4.34Å; W178-M319 HydrophobicContact CD2-CE 3.17Å; W178-M319 HydrophobicContact CD2-CG 4.48Å; W178-M319 HydrophobicContact CE3-CB 4.1Å; W178-M319 HydrophobicContact CE3-CE 3.35Å; W178-M319 HydrophobicContact CE3-CG 4.49Å; W178-M319 HydrophobicContact CG-CE 3.76Å; W178-M319 HydrophobicContact CG-CG 4.42Å; W178-M319 HydrophobicContact CH2-CE 3.66Å; W178-M319 HydrophobicContact CZ2-CE 3.48Å; W178-M319 VanDerWaalsContact CZ2-CE 3.48Å; W178-M319 HydrophobicContact CZ3-CE 3.57Å; E182-M319 HydrophobicContact CB-SD 4.49Å; E182-M319 HydrophobicContact CG-CE 3.73Å; E182-M319 HydrophobicContact CG-SD 3.86Å; M315-M319 WeakPolarHBondContact O-CG 3.48Å; M315-M319 PolarHBondContact O-N 2.81Å; V317-M319 PolarHBondContact O-N 3.39Å; M319-M321 VanDerWaalsContact C-N 3.31Å; M319-M321 PolarHBondContact O-N 3.03Å; M319-K322 HydrophobicContact CE-CB 4.22Å; M319-K322 HydrophobicContact CE-CG 4.36Å; M319-K322 WeakPolarHBondContact O-CB 3.13Å; M319-K322 PolarHBondContact O-N 2.85Å; M319-N323 PolarHBondContact O-N 2.79Å
320	L	98.6	Very high	97.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-41.6	170.6	177.8	69.3	0	0	0	111.5	L70 K88 L130 V154 A175 T316 V317 A318 K322 N323 T324	L70-L320 HydrophobicContact CD2-CD2 4.34Å; K88-L320 HydrophobicContact CB-CD2 4.07Å; K88-L320 HydrophobicContact CD-CD2 3.55Å; K88-L320 HydrophobicContact CG-CD2 3.62Å; L130-L320 HydrophobicContact CD2-CD1 3.98Å; L130-L320 HydrophobicContact CD2-CD2 3.66Å; L130-L320 HydrophobicContact CD2-CG 4.39Å; V154-L320 HydrophobicContact CB-CD1 3.92Å; V154-L320 HydrophobicContact CG2-CD1 3.61Å; A175-L320 HydrophobicContact CB-CB 4.3Å; T316-L320 PolarHBondContact O-N 3.07Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 PolarHBondContact O-N 3.21Å; A318-L320 VanDerWaalsContact C-N 3.34Å; A318-L320 PolarHBondContact O-N 3.18Å; L320-K322 VanDerWaalsContact C-N 3.3Å; L320-K322 PolarHBondContact O-N 3.25Å; L320-N323 PolarHBondContact O-N 3.18Å; L320-T324 PolarHBondContact O-N 2.81Å; L320-T324 PolarHBondContact O-OG1 2.89Å
321	M	98.7	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-40.5	175.9	-58.2	-57.5	95.4	0	0	110.9	V53 L70 A91 A92 V95 I97 V317 A318 M319 T324 I325	V53-M321 HydrophobicContact CG1-CB 4.13Å; L70-M321 HydrophobicContact CD2-CE 3.75Å; A91-M321 HydrophobicContact CB-CG 4.11Å; A91-M321 HydrophobicContact CB-SD 4.08Å; A92-M321 WeakPolarHBondContact CA-SD 3.2Å; A92-M321 HydrophobicContact CB-CE 4.46Å; A92-M321 HydrophobicContact CB-SD 3.8Å; A92-M321 PolarHBondContact N-SD 2.65Å; V95-M321 HydrophobicContact CG2-CB 4.26Å; V95-M321 HydrophobicContact CG2-CG 4.25Å; V95-M321 HydrophobicContact CG2-SD 4.25Å; I97-M321 HydrophobicContact CD1-CB 4.34Å; I97-M321 HydrophobicContact CD1-SD 4.33Å; V317-M321 WeakPolarHBondContact O-CG 2.89Å; V317-M321 PolarHBondContact O-N 3.45Å; A318-M321 WeakPolarHBondContact O-CB 3.3Å; A318-M321 PolarHBondContact O-N 3.17Å; A318-M321 VanDerWaalsContact O-N 3.16Å; M319-M321 VanDerWaalsContact C-N 3.31Å; M319-M321 PolarHBondContact O-N 3.03Å; M321-T324 WeakPolarHBondContact O-CB 3.39Å; M321-T324 PolarHBondContact O-N 2.67Å; M321-I325 PolarHBondContact O-N 3.17Å
322	K	98.6	Very high	94.8	Very high	44 Å²	44	21.1 Å²	21.1	19%	0.191	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-45.4	175.8	-166.9	68	175.2	179.5	0	112.1	V53 E56 W178 A318 M319 L320 T324 I325 I326	V53-K322 HydrophobicContact CG2-CB 4.05Å; V53-K322 HydrophobicContact CG2-CD 3.6Å; V53-K322 HydrophobicContact CG2-CG 4.43Å; E56-K322 IonicContact OE2-NZ 3.55Å; E56-K322 PolarHBondContact OE2-NZ 2.68Å; W178-K322 HydrophobicContact CH2-CB 4.08Å; W178-K322 HydrophobicContact CH2-CG 3.41Å; W178-K322 VanDerWaalsContact CH2-CG 3.41Å; W178-K322 HydrophobicContact CZ2-CG 4.3Å; W178-K322 HydrophobicContact CZ3-CB 3.98Å; W178-K322 HydrophobicContact CZ3-CG 3.83Å; A318-K322 PolarHBondContact O-N 2.91Å; A318-K322 VanDerWaalsContact O-N 3.07Å; M319-K322 HydrophobicContact CE-CB 4.22Å; M319-K322 HydrophobicContact CE-CG 4.36Å; M319-K322 WeakPolarHBondContact O-CB 3.13Å; M319-K322 PolarHBondContact O-N 2.85Å; L320-K322 VanDerWaalsContact C-N 3.3Å; L320-K322 PolarHBondContact O-N 3.25Å; K322-T324 PolarHBondContact O-N 2.94Å; K322-I325 HydrophobicContact CD-CG2 4.37Å; K322-I325 WeakPolarHBondContact O-CG2 3.42Å; K322-I325 PolarHBondContact O-N 3.45Å; K322-I326 HydrophobicContact CG-CD1 4.2Å; K322-I326 VanDerWaalsContact O-CG1 3.28Å; K322-I326 WeakPolarHBondContact O-CG1 3.35Å; K322-I326 PolarHBondContact O-N 3.28Å; K322-I326 VanDerWaalsContact O-N 3.1Å
323	N	98.6	Very high	93.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-36.5	173.5	-84.5	-15	0	0	0	112.1	V154 M172 L173 W178 M319 L320 I326 A327	V154-N323 HydrophobicContact CB-CB 3.95Å; V154-N323 HydrophobicContact CG1-CB 4.2Å; V154-N323 PolarHBondContact O-ND2 3.32Å; M172-N323 HydrophobicContact SD-CB 4.41Å; L173-N323 PolarHBondContact O-ND2 2.88Å; W178-N323 WeakPolarHBondContact CZ3-OD1 3.45Å; M319-N323 PolarHBondContact O-N 2.79Å; L320-N323 PolarHBondContact O-N 3.18Å; N323-I326 WeakPolarHBondContact O-CB 3.25Å; N323-I326 PolarHBondContact O-N 2.97Å; N323-A327 WeakPolarHBondContact O-CB 3.28Å; N323-A327 PolarHBondContact O-N 2.95Å
324	T	98.6	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-42	-178.8	-54.3	0	0	0	0	112.4	P68 L70 I97 L320 M321 K322 A327 A328	P68-T324 HydrophobicContact CB-CG2 4.38Å; L70-T324 HydrophobicContact CB-CG2 4.14Å; L70-T324 HydrophobicContact CD1-CG2 4.34Å; I97-T324 HydrophobicContact CD1-CG2 4.13Å; I97-T324 HydrophobicContact CG2-CG2 3.95Å; L320-T324 PolarHBondContact O-N 2.81Å; L320-T324 PolarHBondContact O-OG1 2.89Å; M321-T324 WeakPolarHBondContact O-CB 3.39Å; M321-T324 PolarHBondContact O-N 2.67Å; K322-T324 PolarHBondContact O-N 2.94Å; T324-A327 PolarHBondContact O-N 3.22Å; T324-A328 PolarHBondContact O-N 3.15Å
325	I	98.2	Very high	89.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.7	-34.6	174.3	-177.8	59.5	0	0	0	111.8	V53 E56 V57 W60 P68 M321 K322 A327 A328 K329	V53-I325 HydrophobicContact CG1-CG2 4.14Å; E56-I325 HydrophobicContact CG-CG1 3.94Å; V57-I325 HydrophobicContact CG2-CB 4.32Å; V57-I325 HydrophobicContact CG2-CD1 4Å; V57-I325 HydrophobicContact CG2-CG1 4.22Å; W60-I325 HydrophobicContact CB-CD1 4.26Å; W60-I325 HydrophobicContact CG-CD1 4.21Å; P68-I325 HydrophobicContact CG-CD1 3.68Å; M321-I325 PolarHBondContact O-N 3.17Å; K322-I325 HydrophobicContact CD-CG2 4.37Å; K322-I325 WeakPolarHBondContact O-CG2 3.42Å; K322-I325 PolarHBondContact O-N 3.45Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 2.89Å; I325-A328 PolarHBondContact O-N 3.28Å; I325-K329 HydrophobicContact CD1-CD 4.35Å; I325-K329 HydrophobicContact CD1-CG 4.13Å; I325-K329 HydrophobicContact CG1-CD 4.27Å; I325-K329 HydrophobicContact CG1-CG 4.46Å; I325-K329 WeakPolarHBondContact O-CB 3.49Å; I325-K329 WeakPolarHBondContact O-CG 3.27Å; I325-K329 PolarHBondContact O-N 2.79Å
326	I	97.8	Very high	87.4	Confident	34 Å²	34	34.1 Å²	34.1	17%	0.174	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-45.2	172.2	-71.5	168.8	0	0	0	110.6	M172 W178 K322 N323 K329 K330 V331 L332	M172-I326 HydrophobicContact CE-CG2 3.99Å; M172-I326 HydrophobicContact SD-CG2 3.95Å; W178-I326 HydrophobicContact CH2-CD1 3.75Å; W178-I326 HydrophobicContact CZ3-CD1 4.16Å; K322-I326 HydrophobicContact CG-CD1 4.2Å; K322-I326 VanDerWaalsContact O-CG1 3.28Å; K322-I326 WeakPolarHBondContact O-CG1 3.35Å; K322-I326 PolarHBondContact O-N 3.28Å; K322-I326 VanDerWaalsContact O-N 3.1Å; N323-I326 WeakPolarHBondContact O-CB 3.25Å; N323-I326 PolarHBondContact O-N 2.97Å; I326-K329 PolarHBondContact O-N 3.26Å; I326-K330 PolarHBondContact O-N 3.19Å; I326-V331 HydrophobicContact CB-CG2 4.5Å; I326-V331 HydrophobicContact CG2-CG2 3.63Å; I326-L332 HydrophobicContact CG2-CG 4.46Å
327	A	97.8	Very high	85.4	Confident	8 Å²	8	39 Å²	39	7%	0.066	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-48.7	177.8	0	0	0	0	0	111.6	D127 V154 M172 N323 T324 I325 K329 K330	D127-A327 WeakPolarHBondContact O-CB 3.41Å; V154-A327 HydrophobicContact CG1-CB 4.01Å; M172-A327 HydrophobicContact CE-CB 3.51Å; N323-A327 WeakPolarHBondContact O-CB 3.28Å; N323-A327 PolarHBondContact O-N 2.95Å; T324-A327 PolarHBondContact O-N 3.22Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 2.89Å; A327-K329 VanDerWaalsContact C-N 3.29Å; A327-K329 PolarHBondContact O-N 3.16Å; A327-K330 WeakPolarHBondContact O-CA 3.34Å; A327-K330 PolarHBondContact O-N 3.29Å
328	A	97.3	Very high	83.2	Confident	7 Å²	7	44.1 Å²	44.1	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-37.2	179.4	0	0	0	0	0	113	P68 D127 T324 I325 K330	P68-A328 HydrophobicContact CB-CB 3.69Å; P68-A328 HydrophobicContact CG-CB 3.75Å; D127-A328 HydrophobicContact CB-CB 3.83Å; T324-A328 PolarHBondContact O-N 3.15Å; I325-A328 PolarHBondContact O-N 3.28Å; A328-K330 PolarHBondContact O-N 3.14Å
329	K	95.2	Very high	81.2	Confident	51 Å²	51	47.8 Å²	47.8	22%	0.222	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.9	175.6	-70.2	-177.8	171.3	-171.3	0	113.7	E56 W60 I325 I326 A327 V331	E56-K329 VanDerWaalsContact CD-NZ 3.34Å; E56-K329 WeakPolarHBondContact OE1-CE 3.44Å; E56-K329 IonicContact OE1-NZ 3.61Å; E56-K329 PolarHBondContact OE1-NZ 3.15Å; W60-K329 HydrophobicContact CD2-CG 3.97Å; W60-K329 HydrophobicContact CE3-CD 4.35Å; W60-K329 HydrophobicContact CE3-CG 3.76Å; W60-K329 HydrophobicContact CH2-CB 4.39Å; W60-K329 HydrophobicContact CH2-CG 4.13Å; W60-K329 HydrophobicContact CZ2-CG 4.33Å; W60-K329 HydrophobicContact CZ3-CB 4.42Å; W60-K329 HydrophobicContact CZ3-CG 3.84Å; I325-K329 HydrophobicContact CD1-CD 4.35Å; I325-K329 HydrophobicContact CD1-CG 4.13Å; I325-K329 HydrophobicContact CG1-CD 4.27Å; I325-K329 HydrophobicContact CG1-CG 4.46Å; I325-K329 WeakPolarHBondContact O-CB 3.49Å; I325-K329 WeakPolarHBondContact O-CG 3.27Å; I325-K329 PolarHBondContact O-N 2.79Å; I326-K329 PolarHBondContact O-N 3.26Å; A327-K329 VanDerWaalsContact C-N 3.29Å; A327-K329 PolarHBondContact O-N 3.16Å; K329-V331 HydrophobicContact CB-CG1 3.72Å; K329-V331 PolarHBondContact O-N 3.29Å; K329-V331 VanDerWaalsContact O-N 3.12Å
330	K	87.9	Confident	79.1	Confident	89 Å²	89	52.5 Å²	52.5	39%	0.387	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	30	-179.1	-61.8	-178.6	177.2	174.3	0	113.6	I326 A327 A328 L332 R333 L334	I326-K330 PolarHBondContact O-N 3.19Å; A327-K330 WeakPolarHBondContact O-CA 3.34Å; A327-K330 PolarHBondContact O-N 3.29Å; A328-K330 PolarHBondContact O-N 3.14Å; K330-L332 VanDerWaalsContact C-N 3.32Å; K330-L332 PolarHBondContact O-N 3.29Å; K330-R333 HydrophobicContact CB-CB 4.37Å; K330-R333 WeakPolarHBondContact O-CB 3.45Å; K330-R333 PolarHBondContact O-N 3.12Å; K330-R333 VanDerWaalsContact O-N 3.08Å; K330-L334 PolarHBondContact O-N 3.37Å; K330-L334 VanDerWaalsContact O-N 3.12Å
331	V	75.2	Confident	76.5	Confident	55 Å²	55	58.7 Å²	58.7	33%	0.333	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-39.9	-173.8	-64.8	0	0	0	0	112.4	I326 K329 R333 L334 E335	I326-V331 HydrophobicContact CB-CG2 4.5Å; I326-V331 HydrophobicContact CG2-CG2 3.63Å; K329-V331 HydrophobicContact CB-CG1 3.72Å; K329-V331 PolarHBondContact O-N 3.29Å; K329-V331 VanDerWaalsContact O-N 3.12Å; V331-R333 VanDerWaalsContact C-N 3.29Å; V331-R333 PolarHBondContact O-N 3.14Å; V331-L334 PolarHBondContact O-N 3.17Å; V331-E335 PolarHBondContact O-N 2.96Å
332	L	64.9	Low	74.2	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-30.4	178	-59.8	178.5	0	0	0	112.7	M172 I326 K330 E336	M172-L332 HydrophobicContact CE-CD1 3.96Å; M172-L332 HydrophobicContact CG-CD1 4.02Å; M172-L332 HydrophobicContact SD-CD1 3.88Å; I326-L332 HydrophobicContact CG2-CG 4.46Å; K330-L332 VanDerWaalsContact C-N 3.32Å; K330-L332 PolarHBondContact O-N 3.29Å; L332-E336 WeakPolarHBondContact O-CG 3.28Å; L332-E336 PolarHBondContact O-N 3.5Å
333	R	61.9	Low	72.2	Confident	101 Å²	101	67.1 Å²	67.1	38%	0.381	32%	0.324	S	S	.	.	H	α-helix	trans	-78.1	-29.9	178.5	-168.5	177.7	-175.1	-179.5	0.8	112.1	K330 V331 R337	K330-R333 HydrophobicContact CB-CB 4.37Å; K330-R333 WeakPolarHBondContact O-CB 3.45Å; K330-R333 PolarHBondContact O-N 3.12Å; K330-R333 VanDerWaalsContact O-N 3.08Å; V331-R333 VanDerWaalsContact C-N 3.29Å; V331-R333 PolarHBondContact O-N 3.14Å; R333-R337 WeakPolarHBondContact O-CG 3.47Å; R333-R337 PolarHBondContact O-N 3.02Å
334	L	57.3	Low	70.1	Confident	92 Å²	92	73.7 Å²	73.7	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-69.3	-44.4	176.8	-71.5	170.3	0	0	0	110.6	K330 V331 E336 R337 E338	K330-L334 PolarHBondContact O-N 3.37Å; K330-L334 VanDerWaalsContact O-N 3.12Å; V331-L334 PolarHBondContact O-N 3.17Å; L334-E336 PolarHBondContact O-N 2.74Å; L334-R337 PolarHBondContact O-N 3.36Å; L334-R337 VanDerWaalsContact O-N 3.16Å; L334-E338 WeakPolarHBondContact O-CG 3.49Å; L334-E338 PolarHBondContact O-N 3.27Å
335	E	58.3	Low	67.9	Low	66 Å²	66	80 Å²	80	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-58.6	-47	175	-69.7	173.9	163.7	0	0	111.7	Y170 V331 R337 E338 V339	Y170-E335 WeakPolarHBondContact CD2-OE2 3.47Å; Y170-E335 WeakPolarHBondContact CE2-OE1 3.47Å; V331-E335 PolarHBondContact O-N 2.96Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.31Å; E335-E338 PolarHBondContact O-N 3.3Å; E335-V339 WeakPolarHBondContact O-CG2 3.31Å; E335-V339 PolarHBondContact O-N 3.26Å
336	E	58.3	Low	65.4	Low	85 Å²	85	82.1 Å²	82.1	40%	0.397	41%	0.41	S	S	.	.	H	α-helix	trans	-58.2	-39.9	176.2	-73	179.2	163.1	0	0	112.7	R164 L332 L334 L340	R164-E336 IonicContact CZ-OE1 3.92Å; R164-E336 IonicContact NH1-OE1 3.61Å; R164-E336 PolarHBondContact NH1-OE1 2.68Å; L332-E336 WeakPolarHBondContact O-CG 3.28Å; L332-E336 PolarHBondContact O-N 3.5Å; L334-E336 PolarHBondContact O-N 2.74Å; E336-L340 WeakPolarHBondContact O-CB 3.28Å; E336-L340 WeakPolarHBondContact O-CD1 3.47Å; E336-L340 VanDerWaalsContact O-CG 3.32Å; E336-L340 WeakPolarHBondContact O-CG 3.41Å; E336-L340 PolarHBondContact O-N 3.33Å
337	R	54.2	Low	63.2	Low	130 Å²	130	86.2 Å²	86.2	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-69.9	-37.4	177.5	-76.8	175.2	172.2	-173.2	-2.5	112.5	R333 L334 E335 L340 K341	R333-R337 WeakPolarHBondContact O-CG 3.47Å; R333-R337 PolarHBondContact O-N 3.02Å; L334-R337 PolarHBondContact O-N 3.36Å; L334-R337 VanDerWaalsContact O-N 3.16Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.31Å; R337-L340 PolarHBondContact O-N 3.46Å; R337-K341 WeakPolarHBondContact O-CB 3.3Å; R337-K341 WeakPolarHBondContact O-CG 3.35Å; R337-K341 PolarHBondContact O-N 3.38Å
338	E	51.7	Low	60.9	Low	127 Å²	127	89.9 Å²	89.9	59%	0.593	47%	0.466	S	S	*	.	H	α-helix	trans	-67.6	-41.6	176	-73.5	-177.1	172.9	0	0	111.2	L334 E335 L340 K341 S342	L334-E338 WeakPolarHBondContact O-CG 3.49Å; L334-E338 PolarHBondContact O-N 3.27Å; E335-E338 PolarHBondContact O-N 3.3Å; E338-L340 PolarHBondContact O-N 3.01Å; E338-K341 PolarHBondContact O-N 3.14Å; E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.33Å; E338-S342 PolarHBondContact O-OG 2.62Å
339	V	57.1	Low	58.3	Low	79 Å²	79	94.4 Å²	94.4	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-42.8	173.4	176.6	0	0	0	0	111.6	E335 S342 K343	E335-V339 WeakPolarHBondContact O-CG2 3.31Å; E335-V339 PolarHBondContact O-N 3.26Å; V339-S342 PolarHBondContact O-N 3.36Å; V339-K343 WeakPolarHBondContact O-CG 3.48Å; V339-K343 PolarHBondContact O-N 2.84Å; V339-K343 VanDerWaalsContact O-N 3.09Å
340	L	54.7	Low	55.6	Low	102 Å²	102	103.1 Å²	103.1	53%	0.534	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-46.7	177.3	-76.7	164.5	0	0	0	112.1	E336 R337 E338 S342 K343 E344	E336-L340 WeakPolarHBondContact O-CB 3.28Å; E336-L340 WeakPolarHBondContact O-CD1 3.47Å; E336-L340 VanDerWaalsContact O-CG 3.32Å; E336-L340 WeakPolarHBondContact O-CG 3.41Å; E336-L340 PolarHBondContact O-N 3.33Å; R337-L340 PolarHBondContact O-N 3.46Å; E338-L340 PolarHBondContact O-N 3.01Å; L340-S342 VanDerWaalsContact C-N 3.31Å; L340-S342 PolarHBondContact O-N 2.6Å; L340-K343 PolarHBondContact O-N 2.75Å; L340-K343 VanDerWaalsContact O-N 3.16Å; L340-E344 WeakPolarHBondContact O-CG 3.44Å; L340-E344 PolarHBondContact O-N 3.07Å
341	K	44.5	Very low	53.9	Low	132 Å²	132	103.8 Å²	103.8	57%	0.574	55%	0.55	S	S	*	*	H	α-helix	trans	-59.8	-40.6	175.4	-77.3	178.5	177	-177.3	0	112.4	R337 E338 K343 E344 L345	R337-K341 WeakPolarHBondContact O-CB 3.3Å; R337-K341 WeakPolarHBondContact O-CG 3.35Å; R337-K341 PolarHBondContact O-N 3.38Å; E338-K341 PolarHBondContact O-N 3.14Å; K341-K343 VanDerWaalsContact C-N 3.29Å; K341-K343 PolarHBondContact O-N 3.29Å; K341-E344 PolarHBondContact O-N 3.43Å; K341-L345 WeakPolarHBondContact O-CB 3.24Å; K341-L345 WeakPolarHBondContact O-CD1 3.33Å; K341-L345 PolarHBondContact O-N 3.23Å
342	S	50.2	Low	52.8	Low	81 Å²	81	106.4 Å²	106.4	57%	0.566	56%	0.562	S	S	*	*	H	α-helix	trans	-62.5	-37.6	177.3	-53.9	0	0	0	0	111.8	E338 V339 L340 G346	E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.33Å; E338-S342 PolarHBondContact O-OG 2.62Å; V339-S342 PolarHBondContact O-N 3.36Å; L340-S342 VanDerWaalsContact C-N 3.31Å; L340-S342 PolarHBondContact O-N 2.6Å; S342-G346 PolarHBondContact O-N 2.93Å; S342-G346 VanDerWaalsContact O-N 3.1Å
343	K	56	Low	52.1	Low	139 Å²	139	110.7 Å²	110.7	60%	0.604	59%	0.585	S	S	*	*	H	α-helix	trans	-71.6	-40.5	175.3	-74.7	-179.6	178.1	-179.8	0	112.5	V339 L340 K341 G346 V347	V339-K343 WeakPolarHBondContact O-CG 3.48Å; V339-K343 PolarHBondContact O-N 2.84Å; V339-K343 VanDerWaalsContact O-N 3.09Å; L340-K343 PolarHBondContact O-N 2.75Å; L340-K343 VanDerWaalsContact O-N 3.16Å; K341-K343 VanDerWaalsContact C-N 3.29Å; K341-K343 PolarHBondContact O-N 3.29Å; K343-G346 PolarHBondContact O-N 3.43Å; K343-V347 VanDerWaalsContact O-CG2 3.28Å; K343-V347 WeakPolarHBondContact O-CG2 3.45Å; K343-V347 PolarHBondContact O-N 2.9Å; K343-V347 VanDerWaalsContact O-N 3.09Å
344	E	54.8	Low	51.6	Low	141 Å²	141	111.3 Å²	111.3	66%	0.659	60%	0.597	S	S	*	*	H	α-helix	trans	-64.1	-40.3	176.3	-72.8	173.5	173.4	0	0	112	L340 K341 G346 V347 A348	L340-E344 WeakPolarHBondContact O-CG 3.44Å; L340-E344 PolarHBondContact O-N 3.07Å; K341-E344 PolarHBondContact O-N 3.43Å; E344-G346 VanDerWaalsContact C-N 3.34Å; E344-V347 PolarHBondContact O-N 2.87Å; E344-A348 PolarHBondContact O-N 3.17Å
345	L	53.5	Low	51.2	Low	133 Å²	133	112.5 Å²	112.5	70%	0.696	60%	0.604	S	S	*	*	H	α-helix	trans	-67.1	-32.6	174	-79.8	154.5	0	0	0	112.8	K341	K341-L345 WeakPolarHBondContact O-CB 3.24Å; K341-L345 WeakPolarHBondContact O-CD1 3.33Å; K341-L345 PolarHBondContact O-N 3.23Å
346	G	45.8	Very low	50.7	Low	44 Å²	44	115.6 Å²	115.6	45%	0.454	62%	0.624	S	S	.	*	H	α-helix	trans	-77.8	-18.6	176.5	0	0	0	0	0	115	S342 K343 E344	S342-G346 PolarHBondContact O-N 2.93Å; S342-G346 VanDerWaalsContact O-N 3.1Å; K343-G346 PolarHBondContact O-N 3.43Å; E344-G346 VanDerWaalsContact C-N 3.34Å
347	V	51.8	Low	50.2	Low	121 Å²	121	117.8 Å²	117.8	73%	0.733	64%	0.64	S	S	*	*	H	α-helix	trans	-88.6	-18.1	176.3	174.8	0	0	0	0	111.8	K343 E344 T349	K343-V347 VanDerWaalsContact O-CG2 3.28Å; K343-V347 WeakPolarHBondContact O-CG2 3.45Å; K343-V347 PolarHBondContact O-N 2.9Å; K343-V347 VanDerWaalsContact O-N 3.09Å; E344-V347 PolarHBondContact O-N 2.87Å; V347-T349 PolarHBondContact O-N 2.85Å
348	A	47.6	Very low	49.9	Very low	84 Å²	84	116.8 Å²	116.8	69%	0.694	65%	0.651	S	S	*	*	S	Bend	trans	-76.9	-0.4	176.7	0	0	0	0	0	114.5	E344	E344-A348 PolarHBondContact O-N 3.17Å
349	T	43.5	Very low	49.8	Very low	103 Å²	103	116 Å²	116	63%	0.632	66%	0.656	S	S	*	*			trans	-128.8	83.2	174.3	50.8	0	0	0	0	110.2	V347	V347-T349 PolarHBondContact O-N 2.85Å
350	N	37.7	Very low	49.1	Very low	233 Å²	233	119.4 Å²	119.4	100%	1.246	67%	0.672	S	S	*	*			trans	-157.7	0	151.9	-90.2	-26.5	0	0	0	110

Retrieved 350 of 350 residues in 2683.2 ms (Link to these results)

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