A0A096NT98_PAPAN Loading...

Ectonucleotide pyrophosphatase/phosphodiesterase family member 7

AlphaFold DB , UniProt , Accession A0A096NT98, Species PAPAN (Papio anubis, Olive baboon), Gene ENPP7, Length 458 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	36.3	Very low	38.3	Very low	234 Å²	234	148.7 Å²	148.7	100%	1.153	86%	0.858	S	S	*	*				0	122.8	0	-77.3	-176.1	-72.8	0	0	108.3
2	R	34.9	Very low	38.5	Very low	257 Å²	257	151.4 Å²	151.4	97%	0.97	87%	0.866	S	S	*	*			trans	63.4	130.6	168.7	-54.1	179.3	178.2	-173.6	-1.5	115
3	G	33.7	Very low	38.8	Very low	71 Å²	71	146.2 Å²	146.2	73%	0.732	85%	0.852	S	S	*	*			cis	-166.7	173.3	3.9	0	0	0	0	0	108.6
4	P	47.3	Very low	38.9	Very low	136 Å²	136	145.6 Å²	145.6	88%	0.883	85%	0.852	S	S	*	*			trans	-101.6	170.7	-151.2	35.8	-29.2	0	0	0	116.2
5	A	40.8	Very low	38.7	Very low	93 Å²	93	146.7 Å²	146.7	77%	0.769	85%	0.852	S	S	*	*			trans	-49.9	132.6	179.4	0	0	0	0	0	117.3
6	I	39.8	Very low	38.7	Very low	154 Å²	154	148.8 Å²	148.8	79%	0.79	86%	0.857	S	S	*	*				26.5	117.2	125.8	-55	177.7	0	0	0	118.9
7	L	37.9	Very low	38.7	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	84%	0.841	S	S	*	*			trans	3.9	124.2	143.9	-77.6	95.5	0	0	0	119.3
8	L	35.1	Very low	38.8	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	84%	0.838	S	S	*	*				-168.3	108.2	117.7	-137.5	77.9	0	0	0	110.2
9	T	35	Very low	38.8	Very low	146 Å²	146	139.4 Å²	139.4	90%	0.896	84%	0.835	S	S	*	*			trans	-140.7	89.1	163.9	11.5	0	0	0	0	107.3
10	V	42.7	Very low	39	Very low	136 Å²	136	137.4 Å²	137.4	82%	0.824	83%	0.834	S	S	*	*			trans	-90.3	118.8	166.3	174	0	0	0	0	107.4	L12	V10-L12 PolarHBondContact O-N 2.71Å
11	A	37.3	Very low	38.9	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	83%	0.826	S	S	*	*			trans	-27.2	117	173.9	0	0	0	0	0	116
12	L	41	Very low	39.1	Very low	181 Å²	181	126.8 Å²	126.8	95%	0.948	80%	0.804	S	S	*	*			trans	-106.2	84	158.4	-169.2	82.9	0	0	0	107.9	V10	V10-L12 PolarHBondContact O-N 2.71Å
13	A	43.2	Very low	39.2	Very low	84 Å²	84	120 Å²	120	69%	0.694	79%	0.793	S	S	*	*			trans	-177	95.6	162.2	0	0	0	0	0	109.9
14	T	38.9	Very low	39.6	Very low	137 Å²	137	123.2 Å²	123.2	84%	0.84	80%	0.799	S	S	*	*			trans	169.9	102.4	143.5	29	0	0	0	0	109.4
15	L	36.4	Very low	39.1	Very low	163 Å²	163	124.9 Å²	124.9	85%	0.853	80%	0.795	S	S	*	*			trans	166.2	62.5	142.7	-90.9	147.9	0	0	0	109.5	A17	L15-A17 HydrophobicContact CD2-CB 4.45Å; L15-A17 PolarHBondContact O-N 2.72Å
16	L	38.8	Very low	38.9	Very low	179 Å²	179	125.5 Å²	125.5	94%	0.937	79%	0.794	S	S	*	*			trans	-83.5	77.3	148.6	-82.6	163.8	0	0	0	106.2	P18	L16-P18 WeakPolarHBondContact O-CD 3.46Å
17	A	38.8	Very low	39.2	Very low	70 Å²	70	124.1 Å²	124.1	58%	0.579	78%	0.784	S	S	*	*			trans	-74.4	121.1	159	0	0	0	0	0	106	L15 G19	L15-A17 HydrophobicContact CD2-CB 4.45Å; L15-A17 PolarHBondContact O-N 2.72Å; A17-G19 PolarHBondContact O-N 2.93Å
18	P	41.3	Very low	39.6	Very low	123 Å²	123	119.3 Å²	119.3	80%	0.799	77%	0.772	S	S	*	*			trans	-60.4	112.8	161.5	26.7	-29.6	0	0	0	104.8	L16 A20	L16-P18 WeakPolarHBondContact O-CD 3.46Å; P18-A20 VanDerWaalsContact C-N 3.3Å; P18-A20 PolarHBondContact O-N 3.5Å
19	G	38	Very low	40.6	Very low	75 Å²	75	116.2 Å²	116.2	77%	0.773	76%	0.764	S	S	*	*			trans	-54.6	105.6	166.9	0	0	0	0	0	105.9	A17 G21	A17-G19 PolarHBondContact O-N 2.93Å; G19-G21 PolarHBondContact O-N 2.95Å
20	A	43.7	Very low	42.9	Very low	100 Å²	100	114.2 Å²	114.2	83%	0.826	74%	0.74	S	S	*	*			trans	-62.3	89.2	161.9	0	0	0	0	0	104.3	P18 A22	P18-A20 VanDerWaalsContact C-N 3.3Å; P18-A20 PolarHBondContact O-N 3.5Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.3Å
21	G	37	Very low	45.4	Very low	64 Å²	64	109.5 Å²	109.5	66%	0.66	71%	0.71	S	S	*	*			trans	-52.4	111.5	162.3	0	0	0	0	0	104.3	G19 P23	G19-G21 PolarHBondContact O-N 2.95Å; G21-P23 VanDerWaalsContact O-N 3.13Å
22	A	39.8	Very low	48.4	Very low	84 Å²	84	106.4 Å²	106.4	69%	0.694	68%	0.679	S	S	*	*			trans	-47.7	127.7	165	0	0	0	0	0	105.1	A20 V24	A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.3Å; A22-V24 PolarHBondContact O-N 3.41Å
23	P	37.6	Very low	51.1	Low	114 Å²	114	97.8 Å²	97.8	74%	0.74	63%	0.634	S	S	*	*			trans	-52.5	127.1	176.4	22.4	-30.2	0	0	0	105.6	G21 Q25	G21-P23 VanDerWaalsContact O-N 3.13Å; P23-Q25 PolarHBondContact O-N 2.65Å
24	V	42	Very low	53.8	Low	139 Å²	139	93.8 Å²	93.8	84%	0.842	60%	0.601	S	S	*	*			trans	-55	101	160.4	173.5	0	0	0	0	102.8	A22 S26	A22-V24 PolarHBondContact O-N 3.41Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.29Å
25	Q	36	Very low	56.6	Low	171 Å²	171	87.3 Å²	87.3	80%	0.799	56%	0.561	S	S	*	*			trans	-54.8	109.5	170.8	-125.3	169.9	-16.5	0	0	102.6	P23 Q27	P23-Q25 PolarHBondContact O-N 2.65Å; Q25-Q27 VanDerWaalsContact C-N 3.27Å; Q25-Q27 PolarHBondContact O-N 2.71Å
26	S	36.4	Very low	59.6	Low	107 Å²	107	79.5 Å²	79.5	75%	0.748	52%	0.52	S	S	*	.			trans	-53.6	106.8	168.7	57.4	0	0	0	0	103.9	V24 G28	V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.29Å; S26-G28 VanDerWaalsContact C-N 3.27Å; S26-G28 PolarHBondContact O-N 3.21Å
27	Q	46.6	Very low	62.5	Low	125 Å²	125	71 Å²	71	58%	0.584	48%	0.476	S	S	*	.			trans	-59.5	105.8	171.1	-74.4	-170.9	-0.1	0	0	103.8	Q25 R30	Q25-Q27 VanDerWaalsContact C-N 3.27Å; Q25-Q27 PolarHBondContact O-N 2.71Å; Q27-R30 VanDerWaalsContact CD-NH1 3.27Å; Q27-R30 VanDerWaalsContact NE2-CZ 3.32Å; Q27-R30 VanDerWaalsContact OE1-NH1 3.08Å
28	G	46.3	Very low	65.3	Low	56 Å²	56	67.8 Å²	67.8	58%	0.577	45%	0.449	S	S	*	.			trans	-49.5	147.7	167.6	0	0	0	0	0	107.8	S26 R30	S26-G28 VanDerWaalsContact C-N 3.27Å; S26-G28 PolarHBondContact O-N 3.21Å; G28-R30 PolarHBondContact O-N 3.14Å
29	S	56.8	Low	68.1	Low	94 Å²	94	62 Å²	62	66%	0.657	41%	0.411	S	S	*	.			trans	-48.7	109.8	-172.7	66.1	0	0	0	0	110.3
30	R	82.1	Confident	71	Confident	104 Å²	104	58.4 Å²	58.4	39%	0.392	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-77	137.5	176.9	-72.5	177.8	166.3	-177	-12.9	108	Q27 G28 G396	Q27-R30 VanDerWaalsContact CD-NH1 3.27Å; Q27-R30 VanDerWaalsContact NE2-CZ 3.32Å; Q27-R30 VanDerWaalsContact OE1-NH1 3.08Å; G28-R30 PolarHBondContact O-N 3.14Å; R30-G396 PolarHBondContact NH2-O 3.5Å
31	N	96.7	Very high	73.6	Confident	36 Å²	36	53.7 Å²	53.7	19%	0.193	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.8	134.5	178	-64.4	-36.6	0	0	0	109.7	H238 N240 P371 S372	N31-H238 CarbonylContact C-O 3.57Å; N31-H238 VanDerWaalsContact CA-O 3.31Å; N31-H238 WeakPolarHBondContact CA-O 3.15Å; N31-N240 WeakPolarHBondContact CB-ND2 3.43Å; N31-P371 HydrophobicContact CB-CG 4.19Å; N31-P371 VanDerWaalsContact CG-CG 3.46Å; N31-P371 WeakPolarHBondContact ND2-CG 3.29Å; N31-S372 PolarHBondContact ND2-OG 2.99Å; N31-S372 VanDerWaalsContact ND2-OG 3.14Å
32	K	98.6	Very high	76.6	Confident	28 Å²	28	51 Å²	51	12%	0.122	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	161	171.1	-59.5	-177.8	176.9	-67.6	0	109.7	F183 D187 L188 D189 L235 H238 L239 N240	K32-F183 HydrophobicContact CB-CD1 4.19Å; K32-F183 HydrophobicContact CB-CE1 4.12Å; K32-F183 HydrophobicContact CD-CB 4.43Å; K32-F183 HydrophobicContact CD-CD1 3.89Å; K32-D187 IonicContact NZ-OD1 2.9Å; K32-D187 PolarHBondContact NZ-OD1 3.23Å; K32-L188 WeakPolarHBondContact CD-O 3.43Å; K32-L188 WeakPolarHBondContact CE-O 3.07Å; K32-L188 PolarHBondContact NZ-O 2.91Å; K32-D189 CarbonylContact C-O 3.56Å; K32-D189 VanDerWaalsContact CA-O 3.3Å; K32-D189 WeakPolarHBondContact CA-O 3.4Å; K32-D189 IonicContact NZ-OD1 3.34Å; K32-D189 PolarHBondContact NZ-OD1 3.04Å; K32-L235 HydrophobicContact CD-CD2 4.48Å; K32-H238 PolarHBondContact N-O 3.34Å; K32-L239 HydrophobicContact CB-CB 4.46Å; K32-L239 HydrophobicContact CB-CD1 4.39Å; K32-L239 HydrophobicContact CB-CG 4.42Å; K32-L239 CarbonylContact O-C 3.49Å; K32-L239 WeakPolarHBondContact O-CA 3.45Å; K32-N240 PolarHBondContact O-N 3.38Å
33	L	98.9	Very high	79.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.2	-178.1	-179	60.4	0	0	0	111.3	F183 D189 L190 V191 N240 I242 M391 L394 L395	L33-F183 WeakPolarHBondContact O-CZ 3.3Å; L33-D189 PolarHBondContact N-O 3.4Å; L33-L190 HydrophobicContact CB-CD1 4.15Å; L33-L190 HydrophobicContact CD2-CD1 4.04Å; L33-L190 HydrophobicContact CG-CD1 4.05Å; L33-L190 CarbonylContact O-C 3.52Å; L33-L190 VanDerWaalsContact O-CA 3.31Å; L33-L190 WeakPolarHBondContact O-CA 3.25Å; L33-V191 PolarHBondContact O-N 3.04Å; L33-N240 WeakPolarHBondContact CA-O 3.46Å; L33-N240 HydrophobicContact CD1-CB 3.99Å; L33-I242 HydrophobicContact CD1-CD1 4.1Å; L33-I242 HydrophobicContact CD1-CG1 4.26Å; L33-M391 HydrophobicContact CD2-CB 3.67Å; L33-M391 HydrophobicContact CD2-CG 3.76Å; L33-M391 HydrophobicContact CD2-SD 4.2Å; L33-L394 HydrophobicContact CD1-CD1 3.98Å; L33-L394 HydrophobicContact CD2-CB 4.47Å; L33-L395 HydrophobicContact CB-CD2 3.78Å; L33-L395 HydrophobicContact CB-CG 4.21Å; L33-L395 HydrophobicContact CD2-CD1 4.1Å; L33-L395 HydrophobicContact CD2-CD2 4.48Å; L33-L395 HydrophobicContact CD2-CG 4Å
34	L	98.9	Very high	82.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.8	168.9	177.6	54.9	0	0	0	109.6	V36 V179 M180 F183 V191 L193 L226 L239 N240 L241 I242	L34-V36 HydrophobicContact CD1-CG2 4.03Å; L34-V36 HydrophobicContact CD2-CG2 4.08Å; L34-V36 HydrophobicContact CG-CG2 3.77Å; L34-V179 HydrophobicContact CD1-CG1 3.96Å; L34-V179 HydrophobicContact CD2-CG1 4.48Å; L34-M180 HydrophobicContact CD2-CE 3.89Å; L34-F183 HydrophobicContact CB-CE2 4Å; L34-F183 HydrophobicContact CB-CZ 3.95Å; L34-F183 HydrophobicContact CD1-CE2 4.16Å; L34-F183 HydrophobicContact CD1-CZ 4.39Å; L34-F183 HydrophobicContact CD2-CE2 4.33Å; L34-F183 HydrophobicContact CG-CE2 4.38Å; L34-V191 WeakPolarHBondContact CA-O 3.48Å; L34-V191 HydrophobicContact CD1-CB 4.09Å; L34-V191 HydrophobicContact CD1-CG1 4.3Å; L34-V191 WeakPolarHBondContact CD1-O 3.28Å; L34-L193 HydrophobicContact CD1-CB 4.23Å; L34-L226 HydrophobicContact CD2-CD1 3.9Å; L34-L226 HydrophobicContact CD2-CD2 4.2Å; L34-L226 HydrophobicContact CD2-CG 4.38Å; L34-L239 HydrophobicContact CB-CD1 4.43Å; L34-L239 HydrophobicContact CB-CD2 4Å; L34-N240 PolarHBondContact N-O 2.83Å; L34-L241 HydrophobicContact CB-CD1 4.18Å; L34-L241 HydrophobicContact CD2-CD1 3.94Å; L34-L241 HydrophobicContact CG-CD1 3.89Å; L34-L241 WeakPolarHBondContact O-CA 3.26Å; L34-I242 PolarHBondContact O-N 2.88Å
35	L	98.9	Very high	85	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.5	167.4	176.3	68.5	0	0	0	108.7	V83 Y142 V191 T192 L193 I242 T244 M391	L35-V83 HydrophobicContact CD2-CG1 4.45Å; L35-Y142 HydrophobicContact CD2-CE2 3.96Å; L35-V191 PolarHBondContact N-O 3.12Å; L35-T192 HydrophobicContact CB-CG2 4.13Å; L35-T192 HydrophobicContact CD2-CG2 4Å; L35-T192 CarbonylContact O-C 3.45Å; L35-T192 VanDerWaalsContact O-CA 3.3Å; L35-T192 WeakPolarHBondContact O-CA 3.22Å; L35-L193 PolarHBondContact O-N 2.65Å; L35-I242 HydrophobicContact CD1-CB 3.89Å; L35-I242 HydrophobicContact CD1-CG2 3.62Å; L35-T244 HydrophobicContact CD1-CG2 3.72Å; L35-M391 HydrophobicContact CB-SD 4.31Å; L35-M391 HydrophobicContact CD1-SD 4.38Å; L35-M391 HydrophobicContact CD2-CE 4.31Å; L35-M391 HydrophobicContact CD2-SD 3.88Å; L35-M391 HydrophobicContact CG-SD 4.41Å
36	V	99	Very high	88	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.2	174.1	-173.6	0	0	0	0	109.6	L34 F38 L193 F195 L226 L241 I242 I243 T244	L34-V36 HydrophobicContact CD1-CG2 4.03Å; L34-V36 HydrophobicContact CD2-CG2 4.08Å; L34-V36 HydrophobicContact CG-CG2 3.77Å; V36-F38 HydrophobicContact CG1-CD2 4.17Å; V36-F38 HydrophobicContact CG1-CE2 3.72Å; V36-F38 HydrophobicContact CG1-CZ 4.15Å; V36-L193 CarbonylContact C-O 3.59Å; V36-L193 VanDerWaalsContact CA-O 3.31Å; V36-L193 WeakPolarHBondContact CA-O 3.32Å; V36-L193 HydrophobicContact CG1-CD2 4.49Å; V36-L193 HydrophobicContact CG1-CG 4.48Å; V36-L193 HydrophobicContact CG2-CB 4.32Å; V36-L193 HydrophobicContact CG2-CD2 4.34Å; V36-F195 HydrophobicContact CG1-CD2 3.9Å; V36-F195 HydrophobicContact CG1-CE2 3.77Å; V36-L226 HydrophobicContact CG2-CD2 3.7Å; V36-L241 HydrophobicContact CG2-CD1 3.86Å; V36-I242 PolarHBondContact N-O 3.01Å; V36-I243 HydrophobicContact CB-CG1 4.28Å; V36-I243 WeakPolarHBondContact O-CA 3.3Å; V36-T244 PolarHBondContact O-N 2.87Å
37	S	98.9	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.5	172.2	-169.5	0	0	0	0	110.9	H79 L193 F195 T244	S37-H79 VanDerWaalsContact CB-NE2 3.31Å; S37-H79 WeakPolarHBondContact CB-NE2 3.33Å; S37-H79 PolarHBondContact OG-NE2 2.97Å; S37-L193 PolarHBondContact N-O 3.49Å; S37-F195 PolarHBondContact O-N 3.29Å; S37-T244 WeakPolarHBondContact CA-O 3.42Å
38	F	98.9	Very high	93.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	104.9	166.4	-70.7	-80.8	0	0	0	107.9	V36 G40 F41 W172 F195 E197 V219 T222 V223 I243 T244 S245	V36-F38 HydrophobicContact CG1-CD2 4.17Å; V36-F38 HydrophobicContact CG1-CE2 3.72Å; V36-F38 HydrophobicContact CG1-CZ 4.15Å; F38-G40 PolarHBondContact O-N 3.03Å; F38-F41 HydrophobicContact CB-CB 4.42Å; F38-F41 HydrophobicContact CB-CD2 4.23Å; F38-F41 WeakPolarHBondContact O-CB 3.44Å; F38-F41 PolarHBondContact O-N 3.03Å; F38-W172 HydrophobicContact CE1-CZ3 4.31Å; F38-F195 HydrophobicContact CD1-CB 3.59Å; F38-F195 AromaticContact CD1-CD2 3.68Å; F38-F195 HydrophobicContact CD1-CD2 3.68Å; F38-F195 AromaticContact CD1-CG 3.86Å; F38-F195 HydrophobicContact CD1-CG 3.86Å; F38-F195 HydrophobicContact CE1-CB 3.9Å; F38-F195 HydrophobicContact CE1-CD1 4.46Å; F38-F195 AromaticContact CE1-CD2 3.25Å; F38-F195 HydrophobicContact CE1-CD2 3.25Å; F38-F195 AromaticContact CE1-CE2 3.82Å; F38-F195 HydrophobicContact CE1-CE2 3.82Å; F38-F195 AromaticContact CE1-CG 3.62Å; F38-F195 HydrophobicContact CE1-CG 3.62Å; F38-F195 HydrophobicContact CE2-CD2 4.36Å; F38-F195 HydrophobicContact CG-CB 4.47Å; F38-F195 HydrophobicContact CG-CD2 4.39Å; F38-F195 AromaticContact CZ-CD2 3.64Å; F38-F195 HydrophobicContact CZ-CD2 3.64Å; F38-F195 AromaticContact CZ-CE2 3.83Å; F38-F195 HydrophobicContact CZ-CE2 3.83Å; F38-F195 HydrophobicContact CZ-CG 4.44Å; F38-E197 CarbonylContact C-O 3.39Å; F38-E197 WeakPolarHBondContact CA-O 3.44Å; F38-E197 WeakPolarHBondContact CB-O 3.45Å; F38-V219 HydrophobicContact CD1-CB 4.32Å; F38-V219 HydrophobicContact CD1-CG1 3.76Å; F38-V219 HydrophobicContact CD1-CG2 3.7Å; F38-V219 HydrophobicContact CD2-CG1 3.85Å; F38-V219 HydrophobicContact CE1-CB 4.32Å; F38-V219 HydrophobicContact CE1-CG1 3.8Å; F38-V219 HydrophobicContact CE1-CG2 4.01Å; F38-V219 HydrophobicContact CE2-CG1 3.89Å; F38-V219 HydrophobicContact CG-CG1 3.79Å; F38-V219 HydrophobicContact CG-CG2 4.32Å; F38-V219 HydrophobicContact CZ-CG1 3.87Å; F38-T222 HydrophobicContact CE1-CG2 4.41Å; F38-T222 HydrophobicContact CZ-CG2 4.13Å; F38-V223 HydrophobicContact CE2-CG2 4.36Å; F38-I243 HydrophobicContact CD2-CG2 3.86Å; F38-I243 HydrophobicContact CE2-CG2 3.95Å; F38-T244 PolarHBondContact N-O 2.85Å; F38-S245 WeakPolarHBondContact O-CB 3.36Å; F38-S245 PolarHBondContact O-OG 3.27Å
39	D	98.9	Very high	95.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	135.6	-173.3	-158.1	-38.9	0	0	0	112.3	F41 T75 Y194 F195 E197 P198 D199 H247	D39-F41 VanDerWaalsContact C-N 3.3Å; D39-F41 PolarHBondContact O-N 3.38Å; D39-T75 WeakPolarHBondContact OD2-CG2 3.5Å; D39-Y194 HydrophobicContact CB-CE2 3.71Å; D39-Y194 VanDerWaalsContact OD2-CE2 3.25Å; D39-Y194 WeakPolarHBondContact OD2-CE2 3.45Å; D39-Y194 VanDerWaalsContact OD2-CZ 3.3Å; D39-Y194 PolarHBondContact OD2-OH 2.64Å; D39-F195 WeakPolarHBondContact CB-O 3.41Å; D39-F195 PolarHBondContact N-O 3.43Å; D39-E197 PolarHBondContact N-O 3.34Å; D39-E197 CarbonylContact O-C 3.54Å; D39-P198 WeakPolarHBondContact O-CD 3.42Å; D39-P198 VanDerWaalsContact O-N 3.12Å; D39-D199 HydrophobicContact CB-CB 3.67Å; D39-D199 WeakPolarHBondContact O-CB 2.86Å; D39-D199 PolarHBondContact O-N 3.47Å; D39-D199 WeakPolarHBondContact OD1-CB 3.46Å; D39-H247 IonicContact OD1-CE1 3.86Å; D39-H247 PolarHBondContact OD1-CE1 3.38Å; D39-H247 IonicContact OD1-NE2 2.73Å
40	G	98.8	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	26.9	173.3	0	0	0	0	0	115.2	F38 R42 Y45 S245 D246 H247	F38-G40 PolarHBondContact O-N 3.03Å; G40-R42 PolarHBondContact O-N 2.93Å; G40-R42 VanDerWaalsContact O-N 3.15Å; G40-Y45 WeakPolarHBondContact O-CE2 3.3Å; G40-S245 PolarHBondContact N-OG 3.23Å; G40-D246 PolarHBondContact N-OD1 3.22Å; G40-H247 CarbonylContact C-O 3.44Å; G40-H247 WeakPolarHBondContact CA-O 3.31Å
41	F	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.			trans	-81	93.8	177.4	-159.9	-61.6	0	0	0	110.2	F38 D39 Y45 L54 P198 V216 V219 S245 H247 T364 I365	F38-F41 HydrophobicContact CB-CB 4.42Å; F38-F41 HydrophobicContact CB-CD2 4.23Å; F38-F41 WeakPolarHBondContact O-CB 3.44Å; F38-F41 PolarHBondContact O-N 3.03Å; D39-F41 VanDerWaalsContact C-N 3.3Å; D39-F41 PolarHBondContact O-N 3.38Å; F41-Y45 HydrophobicContact CD1-CD2 4.28Å; F41-Y45 HydrophobicContact CG-CD2 4.42Å; F41-L54 HydrophobicContact CZ-CD1 4.03Å; F41-P198 HydrophobicContact CB-CG 4.22Å; F41-P198 HydrophobicContact CD2-CG 4.03Å; F41-P198 HydrophobicContact CG-CG 4.33Å; F41-V216 HydrophobicContact CE2-CG1 4.31Å; F41-V216 HydrophobicContact CZ-CG1 4.08Å; F41-V219 HydrophobicContact CD2-CG1 4.14Å; F41-V219 HydrophobicContact CE2-CB 4.28Å; F41-V219 HydrophobicContact CE2-CG1 3.74Å; F41-S245 PolarHBondContact N-OG 2.85Å; F41-H247 PolarHBondContact N-O 3.49Å; F41-T364 PolarHBondContact O-OG1 3.36Å; F41-I365 HydrophobicContact CB-CD1 4.19Å; F41-I365 HydrophobicContact CB-CG1 4.15Å; F41-I365 HydrophobicContact CD1-CB 4.3Å; F41-I365 HydrophobicContact CD1-CD1 3.6Å; F41-I365 HydrophobicContact CD1-CG1 3.79Å; F41-I365 HydrophobicContact CD1-CG2 3.54Å; F41-I365 HydrophobicContact CD2-CD1 4.17Å; F41-I365 HydrophobicContact CE1-CD1 3.97Å; F41-I365 HydrophobicContact CE1-CG1 4.47Å; F41-I365 HydrophobicContact CE1-CG2 3.74Å; F41-I365 HydrophobicContact CG-CD1 3.72Å; F41-I365 HydrophobicContact CG-CG1 4.07Å; F41-I365 HydrophobicContact CZ-CD1 4.42Å
42	R	98.9	Very high	98.8	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.03	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-60.3	142.4	177.5	-162.9	170.8	79	-174.2	-0.7	111.7	G40 N44 Y45 E208 M249 D361	G40-R42 PolarHBondContact O-N 2.93Å; G40-R42 VanDerWaalsContact O-N 3.15Å; R42-N44 PolarHBondContact NE-OD1 3.28Å; R42-N44 PolarHBondContact NH2-OD1 3.27Å; R42-N44 PolarHBondContact O-N 3.2Å; R42-Y45 HydrophobicContact CB-CD1 3.67Å; R42-Y45 HydrophobicContact CB-CD2 4.05Å; R42-Y45 HydrophobicContact CB-CE1 3.6Å; R42-Y45 HydrophobicContact CB-CE2 3.97Å; R42-Y45 HydrophobicContact CB-CG 3.91Å; R42-Y45 HydrophobicContact CG-CE1 4.49Å; R42-Y45 WeakPolarHBondContact O-CB 3.44Å; R42-Y45 PolarHBondContact O-N 2.67Å; R42-E208 IonicContact CZ-OE1 3.76Å; R42-E208 IonicContact NH1-OE1 2.69Å; R42-E208 PolarHBondContact NH1-OE1 2.88Å; R42-E208 IonicContact NH2-OE1 2.8Å; R42-E208 PolarHBondContact NH2-OE1 3.42Å; R42-E208 IonicContact NH2-OE2 2.77Å; R42-E208 PolarHBondContact NH2-OE2 2.71Å; R42-M249 WeakPolarHBondContact CD-O 3.34Å; R42-M249 PolarHBondContact NH1-O 3.32Å; R42-D361 VanDerWaalsContact CD-O 3.25Å; R42-D361 WeakPolarHBondContact CD-O 3.31Å; R42-D361 WeakPolarHBondContact CG-O 3.43Å; R42-D361 IonicContact NH1-OD1 3.43Å; R42-D361 IonicContact NH1-OD2 3.44Å
43	W	98.9	Very high	98.8	Very high	52 Å²	52	26.4 Å²	26.4	20%	0.197	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-25.1	-171.7	74.6	-78.1	0	0	0	116	Y66 M360 K363	W43-Y66 HydrophobicContact CE3-CD1 4.47Å; W43-M360 HydrophobicContact CD2-CE 4.07Å; W43-M360 VanDerWaalsContact CE2-CE 3.44Å; W43-M360 HydrophobicContact CH2-CE 4.16Å; W43-M360 HydrophobicContact CZ2-CE 3.5Å; W43-M360 PolarHBondContact NE1-O 3.13Å; W43-M360 VanDerWaalsContact NE1-O 3.12Å; W43-K363 HydrophobicContact CB-CB 3.97Å; W43-K363 HydrophobicContact CG-CB 3.92Å; W43-K363 PolarHBondContact N-O 3.2Å
44	N	98.9	Very high	98.8	Very high	30 Å²	30	26.4 Å²	26.4	16%	0.16	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	8.8	-175.6	64.3	-1.5	0	0	0	114.3	R42 D46 Q47	R42-N44 PolarHBondContact NE-OD1 3.28Å; R42-N44 PolarHBondContact NH2-OD1 3.27Å; R42-N44 PolarHBondContact O-N 3.2Å; N44-D46 PolarHBondContact O-N 3.22Å; N44-D46 VanDerWaalsContact O-N 3.14Å; N44-Q47 HydrophobicContact CB-CG 4.13Å; N44-Q47 WeakPolarHBondContact O-CB 3.14Å; N44-Q47 PolarHBondContact O-N 3.38Å
45	Y	98.9	Very high	98.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	179.8	-85.8	-2.8	0	0	0	114.2	G40 F41 R42 V49 P198 P207 R212 V216 M249	G40-Y45 WeakPolarHBondContact O-CE2 3.3Å; F41-Y45 HydrophobicContact CD1-CD2 4.28Å; F41-Y45 HydrophobicContact CG-CD2 4.42Å; R42-Y45 HydrophobicContact CB-CD1 3.67Å; R42-Y45 HydrophobicContact CB-CD2 4.05Å; R42-Y45 HydrophobicContact CB-CE1 3.6Å; R42-Y45 HydrophobicContact CB-CE2 3.97Å; R42-Y45 HydrophobicContact CB-CG 3.91Å; R42-Y45 HydrophobicContact CG-CE1 4.49Å; R42-Y45 WeakPolarHBondContact O-CB 3.44Å; R42-Y45 PolarHBondContact O-N 2.67Å; Y45-V49 WeakPolarHBondContact O-CG2 3.35Å; Y45-P198 HydrophobicContact CD2-CG 3.89Å; Y45-P198 HydrophobicContact CE2-CB 4.35Å; Y45-P198 HydrophobicContact CE2-CG 3.79Å; Y45-P207 HydrophobicContact CE1-CB 4.03Å; Y45-P207 WeakPolarHBondContact OH-CA 3.5Å; Y45-P207 WeakPolarHBondContact OH-CB 3.25Å; Y45-R212 HydrophobicContact CD2-CG 4.49Å; Y45-R212 HydrophobicContact CE1-CG 4.25Å; Y45-R212 HydrophobicContact CE2-CG 3.93Å; Y45-R212 PolarHBondContact O-NH1 2.76Å; Y45-V216 HydrophobicContact CD2-CG2 4Å; Y45-V216 HydrophobicContact CG-CG2 4.2Å; Y45-M249 WeakPolarHBondContact OH-CB 3.48Å
46	D	98.6	Very high	98.8	Very high	14 Å²	14	31.1 Å²	31.1	8%	0.075	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.3	173.1	64.7	-33.3	0	0	0	113.6	N44 V49 T51 K63 R367	N44-D46 PolarHBondContact O-N 3.22Å; N44-D46 VanDerWaalsContact O-N 3.14Å; D46-V49 VanDerWaalsContact O-O 3.11Å; D46-T51 HydrophobicContact CB-CG2 4.17Å; D46-K63 IonicContact OD2-NZ 3.45Å; D46-R367 IonicContact OD2-CZ 2.65Å; D46-R367 IonicContact OD2-NH1 3.69Å; D46-R367 IonicContact OD2-NH2 3.55Å; D46-R367 PolarHBondContact OD2-NH2 3.3Å
47	Q	98.8	Very high	98.8	Very high	122 Å²	122	31.1 Å²	31.1	57%	0.57	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-24.5	-176	-63.2	175.9	20.2	0	0	113.6	N44	N44-Q47 HydrophobicContact CB-CG 4.13Å; N44-Q47 WeakPolarHBondContact O-CB 3.14Å; N44-Q47 PolarHBondContact O-N 3.38Å
48	D	98.4	Very high	98.8	Very high	58 Å²	58	32.2 Å²	32.2	31%	0.31	18%	0.176	S	C	.	.	S	Bend	trans	-113.2	18.1	179.5	74.3	-32.2	0	0	0	113.1	R212 R213	D48-R212 IonicContact OD1-CZ 3.63Å; D48-R212 IonicContact OD1-NH1 3.51Å; D48-R212 PolarHBondContact OD1-NH1 2.69Å; D48-R212 IonicContact OD1-NH2 3.18Å; D48-R212 PolarHBondContact OD1-NH2 2.91Å; D48-R212 IonicContact OD2-CZ 3.6Å; D48-R212 IonicContact OD2-NH1 3.23Å; D48-R212 IonicContact OD2-NH2 2.65Å; D48-R212 PolarHBondContact OD2-NH2 2.95Å; D48-R213 IonicContact OD2-CZ 2.72Å; D48-R213 VanDerWaalsContact OD2-CZ 3.28Å; D48-R213 IonicContact OD2-NE 3.37Å; D48-R213 PolarHBondContact OD2-NE 2.77Å; D48-R213 IonicContact OD2-NH2 2.65Å; D48-R213 PolarHBondContact OD2-NH2 3.37Å
49	V	98.7	Very high	98.8	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.073	21%	0.205	C	C	.	.	S	Bend	trans	-141.5	136.6	-178.5	-175.8	0	0	0	0	109.7	Y45 D46 T51 R213 V216 R217	Y45-V49 WeakPolarHBondContact O-CG2 3.35Å; D46-V49 VanDerWaalsContact O-O 3.11Å; V49-T51 HydrophobicContact CB-CG2 4.16Å; V49-T51 HydrophobicContact CG1-CG2 4.06Å; V49-T51 PolarHBondContact O-N 2.86Å; V49-T51 VanDerWaalsContact O-N 3.12Å; V49-R213 HydrophobicContact CG2-CB 3.74Å; V49-R213 HydrophobicContact CG2-CG 3.72Å; V49-V216 HydrophobicContact CB-CG1 4.01Å; V49-V216 HydrophobicContact CG1-CB 4.23Å; V49-V216 HydrophobicContact CG1-CG1 3.93Å; V49-V216 HydrophobicContact CG2-CB 4.19Å; V49-V216 HydrophobicContact CG2-CG1 4.13Å; V49-R217 HydrophobicContact CG1-CG 3.46Å; V49-R217 VanDerWaalsContact CG1-CG 3.46Å
50	D	98.7	Very high	98.8	Very high	143 Å²	143	42.9 Å²	42.9	77%	0.765	22%	0.222	S	C	*	.			trans	-64.1	112.4	170.2	-63.5	-41.4	0	0	0	110	P52	D50-P52 VanDerWaalsContact C-CD 3.46Å; D50-P52 WeakPolarHBondContact O-CD 3.45Å
51	T	98.8	Very high	98.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.222	C	C	.	.			trans	-127.8	62.2	-174.9	53.1	0	0	0	0	112.4	D46 V49 S53 L54 D55 V216 D220	D46-T51 HydrophobicContact CB-CG2 4.17Å; V49-T51 HydrophobicContact CB-CG2 4.16Å; V49-T51 HydrophobicContact CG1-CG2 4.06Å; V49-T51 PolarHBondContact O-N 2.86Å; V49-T51 VanDerWaalsContact O-N 3.12Å; T51-S53 PolarHBondContact O-N 3.34Å; T51-S53 VanDerWaalsContact O-N 3.14Å; T51-L54 HydrophobicContact CG2-CD1 4.09Å; T51-L54 PolarHBondContact O-N 2.74Å; T51-D55 VanDerWaalsContact O-CG 3.28Å; T51-D55 PolarHBondContact O-N 2.73Å; T51-V216 HydrophobicContact CG2-CG1 3.85Å; T51-D220 VanDerWaalsContact CA-OD1 3.29Å; T51-D220 WeakPolarHBondContact CA-OD1 3.25Å; T51-D220 WeakPolarHBondContact CB-OD1 3.34Å; T51-D220 HydrophobicContact CG2-CB 4.17Å
52	P	98.9	Very high	98.8	Very high	82 Å²	82	42.9 Å²	42.9	53%	0.532	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-29.7	-171.8	24.9	-35.8	0	0	0	114.2	D50 A56 D220	D50-P52 VanDerWaalsContact C-CD 3.46Å; D50-P52 WeakPolarHBondContact O-CD 3.45Å; P52-A56 WeakPolarHBondContact O-CB 3.37Å; P52-A56 PolarHBondContact O-N 3.08Å; P52-D220 VanDerWaalsContact CD-OD2 3.26Å; P52-D220 WeakPolarHBondContact CD-OD2 3.47Å
53	S	98.9	Very high	98.8	Very high	26 Å²	26	44.8 Å²	44.8	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-76.4	-40.8	-179.5	-47.5	0	0	0	0	111.6	T51 A56 M57 D220	T51-S53 PolarHBondContact O-N 3.34Å; T51-S53 VanDerWaalsContact O-N 3.14Å; S53-A56 PolarHBondContact O-N 2.9Å; S53-M57 WeakPolarHBondContact O-CB 3.13Å; S53-M57 PolarHBondContact O-N 3.36Å; S53-D220 WeakPolarHBondContact CA-OD1 3.41Å; S53-D220 VanDerWaalsContact CB-O 3.22Å; S53-D220 WeakPolarHBondContact CB-O 3.49Å; S53-D220 WeakPolarHBondContact CB-OD1 3.39Å; S53-D220 VanDerWaalsContact CB-OD2 3.29Å; S53-D220 WeakPolarHBondContact CB-OD2 3.36Å; S53-D220 PolarHBondContact N-OD1 2.64Å; S53-D220 PolarHBondContact N-OD2 2.88Å; S53-D220 PolarHBondContact OG-O 3.04Å; S53-D220 VanDerWaalsContact OG-O 3.1Å; S53-D220 PolarHBondContact OG-OD2 3.16Å
54	L	98.9	Very high	98.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-38.7	172.6	-76.9	167.9	0	0	0	111.6	F41 T51 M57 A58 D220 V223	F41-L54 HydrophobicContact CZ-CD1 4.03Å; T51-L54 HydrophobicContact CG2-CD1 4.09Å; T51-L54 PolarHBondContact O-N 2.74Å; L54-M57 PolarHBondContact O-N 3.11Å; L54-A58 PolarHBondContact O-N 3.2Å; L54-D220 PolarHBondContact N-OD1 3.01Å; L54-V223 HydrophobicContact CD2-CG1 4.44Å; L54-V223 HydrophobicContact CD2-CG2 4.01Å; L54-V223 HydrophobicContact CG-CG2 4.23Å
55	D	98.9	Very high	98.8	Very high	80 Å²	80	45.9 Å²	45.9	43%	0.428	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-43.8	173.8	-71.4	-22.5	0	0	0	111.7	T51 A58 R59	T51-D55 VanDerWaalsContact O-CG 3.28Å; T51-D55 PolarHBondContact O-N 2.73Å; D55-A58 PolarHBondContact O-N 3.13Å; D55-R59 PolarHBondContact O-N 3Å; D55-R59 VanDerWaalsContact O-N 3.11Å
56	A	98.9	Very high	98.8	Very high	19 Å²	19	47.8 Å²	47.8	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-43.7	173.3	0	0	0	0	0	111.6	P52 S53 A58 R59 D60	P52-A56 WeakPolarHBondContact O-CB 3.37Å; P52-A56 PolarHBondContact O-N 3.08Å; S53-A56 PolarHBondContact O-N 2.9Å; A56-A58 VanDerWaalsContact C-N 3.29Å; A56-A58 PolarHBondContact O-N 3.29Å; A56-R59 PolarHBondContact O-N 3.27Å; A56-D60 WeakPolarHBondContact O-CB 3.31Å; A56-D60 PolarHBondContact O-N 3.26Å
57	M	98.8	Very high	98.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-36	177.1	-176.3	169.5	177.2	0	0	112.6	S53 L54 D60 G61 V223 L241 I243 R367 V369	S53-M57 WeakPolarHBondContact O-CB 3.13Å; S53-M57 PolarHBondContact O-N 3.36Å; L54-M57 PolarHBondContact O-N 3.11Å; M57-D60 PolarHBondContact O-N 2.95Å; M57-G61 WeakPolarHBondContact O-CA 3.35Å; M57-G61 PolarHBondContact O-N 3.37Å; M57-V223 HydrophobicContact SD-CG1 4.15Å; M57-L241 HydrophobicContact CE-CD2 4.26Å; M57-L241 HydrophobicContact CE-CG 4.2Å; M57-I243 HydrophobicContact CE-CB 4.18Å; M57-I243 HydrophobicContact CE-CD1 4.13Å; M57-I243 HydrophobicContact CE-CG1 3.89Å; M57-I243 HydrophobicContact SD-CB 4.5Å; M57-I243 HydrophobicContact SD-CD1 3.7Å; M57-I243 HydrophobicContact SD-CG1 4.12Å; M57-R367 HydrophobicContact CE-CB 3.77Å; M57-R367 HydrophobicContact SD-CB 4.16Å; M57-V369 HydrophobicContact CE-CB 4.21Å; M57-V369 HydrophobicContact CE-CG1 3.76Å; M57-V369 HydrophobicContact CG-CB 4.24Å; M57-V369 HydrophobicContact CG-CG1 4.13Å; M57-V369 HydrophobicContact SD-CG1 4.36Å
58	A	98.6	Very high	98.8	Very high	22 Å²	22	42.1 Å²	42.1	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-38.7	174.9	0	0	0	0	0	112.3	L54 D55 A56 K63	L54-A58 PolarHBondContact O-N 3.2Å; D55-A58 PolarHBondContact O-N 3.13Å; A56-A58 VanDerWaalsContact C-N 3.29Å; A56-A58 PolarHBondContact O-N 3.29Å; A58-K63 HydrophobicContact CB-CB 4.36Å; A58-K63 HydrophobicContact CB-CD 4.31Å
59	R	98.8	Very high	98.8	Very high	160 Å²	160	39.4 Å²	39.4	60%	0.604	20%	0.2	S	C	*	.	H	α-helix	trans	-66	-39.9	174.2	-73.6	-176.7	-75.6	109.6	-8.7	112.3	D55 A56 G61 G376	D55-R59 PolarHBondContact O-N 3Å; D55-R59 VanDerWaalsContact O-N 3.11Å; A56-R59 PolarHBondContact O-N 3.27Å; R59-G61 VanDerWaalsContact C-N 3.33Å; R59-G376 WeakPolarHBondContact O-CA 3.46Å; R59-G376 PolarHBondContact O-N 2.79Å
60	D	98.8	Very high	98.9	Very high	69 Å²	69	39.1 Å²	39.1	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-86.3	-7.5	-174.5	-56.8	-22.5	0	0	0	112.8	A56 M57 R227 V369 A375	A56-D60 WeakPolarHBondContact O-CB 3.31Å; A56-D60 PolarHBondContact O-N 3.26Å; M57-D60 PolarHBondContact O-N 2.95Å; D60-R227 IonicContact OD2-CZ 3.23Å; D60-R227 VanDerWaalsContact OD2-CZ 3.23Å; D60-R227 IonicContact OD2-NH1 3.84Å; D60-R227 PolarHBondContact OD2-NH1 3.46Å; D60-R227 IonicContact OD2-NH2 2.72Å; D60-R227 PolarHBondContact OD2-NH2 2.69Å; D60-V369 HydrophobicContact CB-CG2 4.11Å; D60-A375 WeakPolarHBondContact O-CB 3.45Å
61	G	98.8	Very high	98.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-148.2	-145.7	-169.7	0	0	0	0	0	114.2	M57 R59 A368 K374 A375 G376 L377	M57-G61 WeakPolarHBondContact O-CA 3.35Å; M57-G61 PolarHBondContact O-N 3.37Å; R59-G61 VanDerWaalsContact C-N 3.33Å; G61-A368 CarbonylContact C-O 3.57Å; G61-A368 WeakPolarHBondContact CA-O 3.49Å; G61-K374 CarbonylContact C-O 3.47Å; G61-K374 VanDerWaalsContact CA-O 3.27Å; G61-K374 WeakPolarHBondContact CA-O 3.49Å; G61-A375 CarbonylContact O-C 3.5Å; G61-A375 WeakPolarHBondContact O-CA 3.42Å; G61-G376 PolarHBondContact O-N 2.85Å; G61-L377 PolarHBondContact O-N 3.35Å; G61-L377 VanDerWaalsContact O-N 3.15Å
62	V	98.9	Very high	98.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.9	-179.3	-175.7	0	0	0	0	110.1	R367 A368 F373 K374 L377 V379 M412	V62-R367 CarbonylContact O-C 3.33Å; V62-R367 WeakPolarHBondContact O-CA 3.37Å; V62-A368 PolarHBondContact N-O 3.45Å; V62-A368 PolarHBondContact O-N 2.88Å; V62-F373 HydrophobicContact CG2-CB 4.24Å; V62-F373 HydrophobicContact CG2-CD1 4.09Å; V62-K374 HydrophobicContact CG2-CB 4.4Å; V62-K374 VanDerWaalsContact CG2-O 3.25Å; V62-K374 WeakPolarHBondContact CG2-O 3.34Å; V62-L377 CarbonylContact C-O 3.58Å; V62-L377 VanDerWaalsContact CA-O 3.3Å; V62-L377 WeakPolarHBondContact CA-O 3.39Å; V62-L377 HydrophobicContact CG1-CD2 4.39Å; V62-L377 HydrophobicContact CG2-CB 4.31Å; V62-L377 HydrophobicContact CG2-CD2 4.3Å; V62-V379 HydrophobicContact CG1-CG1 4.19Å; V62-M412 HydrophobicContact CG1-CB 4.19Å; V62-M412 HydrophobicContact CG1-CE 4.24Å; V62-M412 HydrophobicContact CG1-CG 3.85Å; V62-M412 HydrophobicContact CG1-SD 4.07Å; V62-M412 HydrophobicContact CG2-CB 4.17Å
63	K	98.9	Very high	98.9	Very high	47 Å²	47	28.4 Å²	28.4	20%	0.204	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.2	171.4	166.8	173.8	175.1	172.3	0	109.4	D46 A58 L377 E378 V379	D46-K63 IonicContact OD2-NZ 3.45Å; A58-K63 HydrophobicContact CB-CB 4.36Å; A58-K63 HydrophobicContact CB-CD 4.31Å; K63-L377 PolarHBondContact N-O 3.46Å; K63-E378 CarbonylContact O-C 3.51Å; K63-E378 VanDerWaalsContact O-CA 3.26Å; K63-E378 WeakPolarHBondContact O-CA 3.4Å; K63-V379 PolarHBondContact O-N 2.77Å
64	A	98.9	Very high	98.9	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.2	162.2	0	0	0	0	0	109.8	Y66 F366 V379 F382	A64-Y66 PolarHBondContact O-N 2.65Å; A64-F366 HydrophobicContact CB-CB 3.97Å; A64-F366 PolarHBondContact N-O 3.21Å; A64-V379 HydrophobicContact CB-CG2 4.07Å; A64-F382 HydrophobicContact CB-CD1 4.24Å; A64-F382 HydrophobicContact CB-CE1 3.61Å; A64-F382 HydrophobicContact CB-CZ 4.42Å
65	R	98.9	Very high	98.9	Very high	103 Å²	103	27.6 Å²	27.6	39%	0.389	13%	0.131	S	C	.	.	S	Bend	trans	-54.8	-41.4	170.9	-178.6	159.5	63.4	91.3	-2.6	111.4	V379 E380 P381	R65-V379 PolarHBondContact N-O 2.87Å; R65-E380 IonicContact CZ-OE2 3.67Å; R65-E380 IonicContact NE-OE2 3.42Å; R65-E380 PolarHBondContact NE-OE2 2.77Å; R65-E380 IonicContact NH2-OE2 3.26Å; R65-E380 PolarHBondContact NH2-OE2 3.26Å; R65-P381 HydrophobicContact CB-CG 4.13Å; R65-P381 HydrophobicContact CG-CG 4.48Å; R65-P381 VanDerWaalsContact NH2-CD 3.34Å
66	Y	98.9	Very high	98.9	Very high	39 Å²	39	23.8 Å²	23.8	15%	0.153	11%	0.11	C	C	.	.			trans	-164.4	165.3	159.8	55.8	-99.3	0	0	0	109.2	W43 A64 M360 K363 P381	W43-Y66 HydrophobicContact CE3-CD1 4.47Å; A64-Y66 PolarHBondContact O-N 2.65Å; Y66-M360 HydrophobicContact CD1-CE 3.96Å; Y66-M360 HydrophobicContact CE1-CE 3.92Å; Y66-M360 HydrophobicContact CE1-SD 4.26Å; Y66-K363 HydrophobicContact CD2-CB 3.93Å; Y66-K363 HydrophobicContact CD2-CD 3.79Å; Y66-K363 HydrophobicContact CD2-CG 3.82Å; Y66-K363 HydrophobicContact CE2-CD 3.87Å; Y66-K363 HydrophobicContact CE2-CG 4.15Å; Y66-K363 HydrophobicContact CG-CB 4.06Å; Y66-K363 HydrophobicContact CG-CG 4.21Å; Y66-P381 HydrophobicContact CD1-CB 4.35Å; Y66-P381 HydrophobicContact CD1-CG 3.74Å; Y66-P381 HydrophobicContact CD2-CB 3.6Å; Y66-P381 HydrophobicContact CD2-CG 3.94Å; Y66-P381 HydrophobicContact CE1-CB 4.07Å; Y66-P381 HydrophobicContact CE1-CG 3.36Å; Y66-P381 HydrophobicContact CE2-CB 3.27Å; Y66-P381 HydrophobicContact CE2-CG 3.57Å; Y66-P381 HydrophobicContact CG-CB 4.12Å; Y66-P381 HydrophobicContact CG-CG 4Å; Y66-P381 VanDerWaalsContact O-CA 3.24Å; Y66-P381 WeakPolarHBondContact O-CA 3.31Å; Y66-P381 WeakPolarHBondContact O-CB 3.41Å
67	M	98.9	Very high	98.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.3	168.4	-172.7	174.5	67.2	0	0	109.3	L82 T244 S245 T364 F366 F382 V387	M67-L82 HydrophobicContact CE-CD2 4.15Å; M67-T244 WeakPolarHBondContact CE-OG1 3.48Å; M67-S245 VanDerWaalsContact CE-O 3.31Å; M67-S245 WeakPolarHBondContact CE-O 3.27Å; M67-T364 HydrophobicContact CB-CG2 4Å; M67-T364 HydrophobicContact CE-CG2 3.47Å; M67-T364 VanDerWaalsContact CE-CG2 3.47Å; M67-T364 HydrophobicContact CG-CG2 4.48Å; M67-T364 PolarHBondContact N-O 3.21Å; M67-T364 PolarHBondContact O-N 3.3Å; M67-F366 HydrophobicContact CB-CB 4.22Å; M67-F366 HydrophobicContact SD-CB 4.3Å; M67-F366 HydrophobicContact SD-CD2 4.19Å; M67-F382 WeakPolarHBondContact CA-O 3.42Å; M67-F382 HydrophobicContact CG-CD2 4.16Å; M67-F382 HydrophobicContact CG-CE2 3.79Å; M67-F382 HydrophobicContact CG-CZ 4.29Å; M67-F382 HydrophobicContact SD-CD2 4.5Å; M67-F382 HydrophobicContact SD-CE2 3.66Å; M67-F382 HydrophobicContact SD-CZ 4.15Å; M67-V387 HydrophobicContact SD-CG2 3.85Å
68	T	98.9	Very high	98.9	Very high	18 Å²	18	22.9 Å²	22.9	11%	0.11	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.7	172.6	-65.9	0	0	0	0	108.6	N357 K363 F382 E383 S384	T68-N357 HydrophobicContact CG2-CB 4.42Å; T68-K363 PolarHBondContact OG1-NZ 3.4Å; T68-F382 PolarHBondContact N-O 3.2Å; T68-E383 HydrophobicContact CG2-CG 4.3Å; T68-E383 CarbonylContact O-C 3.59Å; T68-E383 VanDerWaalsContact O-CA 3.31Å; T68-E383 WeakPolarHBondContact O-CA 3.49Å; T68-S384 PolarHBondContact O-N 3.17Å
69	P	98.9	Very high	98.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-74.6	162.3	175.9	34.5	-39.8	0	0	0	112.2	T73 D246 N357 M362	P69-T73 HydrophobicContact CB-CG2 4.2Å; P69-T73 HydrophobicContact CG-CG2 3.54Å; P69-D246 WeakPolarHBondContact CB-O 3.41Å; P69-N357 HydrophobicContact CG-CB 4.32Å; P69-N357 VanDerWaalsContact O-CB 3.26Å; P69-N357 WeakPolarHBondContact O-CB 3.41Å; P69-N357 PolarHBondContact O-ND2 2.83Å; P69-M362 WeakPolarHBondContact CD-O 3.28Å; P69-M362 VanDerWaalsContact CG-O 3.3Å; P69-M362 WeakPolarHBondContact CG-O 3.31Å
70	A	98.9	Very high	98.9	Very high	6 Å²	6	14.2 Å²	14.2	5%	0.05	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-66.5	154.6	167.7	0	0	0	0	0	111.6	V72 T73 C78 T81 I88 S384	A70-V72 CarbonylContact O-C 3.56Å; A70-T73 WeakPolarHBondContact O-CG2 3.47Å; A70-C78 PolarHBondContact O-SG 3.03Å; A70-C78 VanDerWaalsContact O-SG 3.32Å; A70-T81 HydrophobicContact CB-CG2 4.12Å; A70-I88 HydrophobicContact CB-CD1 3.68Å; A70-I88 HydrophobicContact CB-CG1 4.01Å; A70-S384 PolarHBondContact N-OG 2.91Å
71	F	98.9	Very high	98.9	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.048	C	C	.	.	S	Bend	trans	-100.3	137.1	172.7	-179.9	-85.7	0	0	0	110.9	I88 F315 F319 Y321 Y333 N357	F71-I88 WeakPolarHBondContact O-CD1 3.42Å; F71-F315 HydrophobicContact CD1-CE1 4.3Å; F71-F315 HydrophobicContact CD1-CZ 4.32Å; F71-F315 AromaticContact CE1-CE1 3.89Å; F71-F315 HydrophobicContact CE1-CE1 3.89Å; F71-F315 AromaticContact CE1-CZ 3.51Å; F71-F315 HydrophobicContact CE1-CZ 3.51Å; F71-F315 HydrophobicContact CZ-CZ 4.07Å; F71-F319 HydrophobicContact CB-CB 4.22Å; F71-F319 HydrophobicContact CB-CD1 3.59Å; F71-F319 HydrophobicContact CB-CE1 4.34Å; F71-F319 HydrophobicContact CB-CG 4.29Å; F71-F319 HydrophobicContact CD1-CB 3.76Å; F71-F319 AromaticContact CD1-CD1 3.81Å; F71-F319 HydrophobicContact CD1-CD1 3.81Å; F71-F319 HydrophobicContact CD1-CE1 4.5Å; F71-F319 AromaticContact CD1-CG 3.83Å; F71-F319 HydrophobicContact CD1-CG 3.83Å; F71-F319 AromaticContact CD2-CD1 3.85Å; F71-F319 HydrophobicContact CD2-CD1 3.85Å; F71-F319 AromaticContact CD2-CE1 3.86Å; F71-F319 HydrophobicContact CD2-CE1 3.86Å; F71-F319 HydrophobicContact CE1-CB 4.5Å; F71-F319 HydrophobicContact CE1-CD1 4.49Å; F71-F319 HydrophobicContact CE1-CG 4.35Å; F71-F319 HydrophobicContact CE2-CE1 4.31Å; F71-F319 HydrophobicContact CG-CB 4.17Å; F71-F319 AromaticContact CG-CD1 3.44Å; F71-F319 HydrophobicContact CG-CD1 3.44Å; F71-F319 VanDerWaalsContact CG-CD1 3.44Å; F71-F319 AromaticContact CG-CE1 3.96Å; F71-F319 HydrophobicContact CG-CE1 3.96Å; F71-F319 AromaticContact CG-CG 3.98Å; F71-F319 HydrophobicContact CG-CG 3.98Å; F71-Y321 HydrophobicContact CD1-CD1 4.3Å; F71-Y321 HydrophobicContact CD1-CD2 4.43Å; F71-Y321 AromaticContact CD1-CG 3.93Å; F71-Y321 HydrophobicContact CD1-CG 3.93Å; F71-Y321 AromaticContact CE1-CD1 3.98Å; F71-Y321 HydrophobicContact CE1-CD1 3.98Å; F71-Y321 HydrophobicContact CE1-CG 4.09Å; F71-Y321 WeakPolarHBondContact O-CD2 3.48Å; F71-Y333 HydrophobicContact CZ-CG 4.43Å; F71-N357 HydrophobicContact CB-CB 4.21Å
72	V	98.8	Very high	98.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.048	C	C	.	.	S	Bend	cis	-68.6	142.3	-0.9	-65.2	0	0	0	0	112.6	A70 M74 P77 C78 I88 N283 Y321	A70-V72 CarbonylContact O-C 3.56Å; V72-M74 HydrophobicContact CB-CG 4.24Å; V72-M74 HydrophobicContact CG2-CB 4.13Å; V72-M74 HydrophobicContact CG2-CE 4.22Å; V72-M74 HydrophobicContact CG2-CG 3.77Å; V72-M74 HydrophobicContact CG2-SD 3.78Å; V72-M74 PolarHBondContact O-N 3.44Å; V72-P77 HydrophobicContact CG2-CG 4.25Å; V72-C78 PolarHBondContact O-SG 3.25Å; V72-I88 WeakPolarHBondContact O-CD1 3.25Å; V72-N283 VanDerWaalsContact CG1-OD1 3.28Å; V72-N283 WeakPolarHBondContact CG1-OD1 3.46Å; V72-Y321 HydrophobicContact CB-CE2 4.27Å; V72-Y321 HydrophobicContact CG1-CD1 4.38Å; V72-Y321 HydrophobicContact CG1-CD2 4.16Å; V72-Y321 HydrophobicContact CG1-CE1 3.95Å; V72-Y321 HydrophobicContact CG1-CE2 3.73Å; V72-Y321 HydrophobicContact CG1-CG 4.47Å; V72-Y321 HydrophobicContact CG2-CE2 3.77Å
73	T	98.9	Very high	98.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.048	C	C	.	.			trans	-77.8	59.4	-178.6	52.3	0	0	0	0	111.7	P69 A70 H247 H353 G354 F355 N357 M362	P69-T73 HydrophobicContact CB-CG2 4.2Å; P69-T73 HydrophobicContact CG-CG2 3.54Å; A70-T73 WeakPolarHBondContact O-CG2 3.47Å; T73-H247 PolarHBondContact O-CD2 3.28Å; T73-H353 PolarHBondContact O-ND1 3.29Å; T73-G354 WeakPolarHBondContact O-CA 3.47Å; T73-G354 PolarHBondContact O-N 2.67Å; T73-G354 VanDerWaalsContact O-N 3.12Å; T73-G354 WeakPolarHBondContact OG1-CA 3.07Å; T73-G354 PolarHBondContact OG1-N 3.15Å; T73-F355 PolarHBondContact OG1-N 3.17Å; T73-F355 VanDerWaalsContact OG1-N 3.16Å; T73-F355 PolarHBondContact OG1-O 3.15Å; T73-N357 HydrophobicContact CG2-CB 3.69Å; T73-M362 HydrophobicContact CG2-CB 4.27Å; T73-M362 PolarHBondContact OG1-SD 3.11Å
74	M	98.9	Very high	98.9	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.015	4%	0.04	C	C	.	.			trans	-110.9	152.2	179.1	-69	-176.7	-176.1	0	0	111.1	V72 S76 P77 C78 Y280 N283	V72-M74 HydrophobicContact CB-CG 4.24Å; V72-M74 HydrophobicContact CG2-CB 4.13Å; V72-M74 HydrophobicContact CG2-CE 4.22Å; V72-M74 HydrophobicContact CG2-CG 3.77Å; V72-M74 HydrophobicContact CG2-SD 3.78Å; V72-M74 PolarHBondContact O-N 3.44Å; M74-S76 PolarHBondContact O-N 2.82Å; M74-P77 HydrophobicContact CB-CG 3.94Å; M74-P77 VanDerWaalsContact O-CD 3.32Å; M74-P77 WeakPolarHBondContact O-CD 3.49Å; M74-C78 WeakPolarHBondContact O-CB 3.49Å; M74-C78 PolarHBondContact O-N 2.8Å; M74-C78 PolarHBondContact O-SG 2.77Å; M74-C78 VanDerWaalsContact O-SG 3.34Å; M74-Y280 HydrophobicContact CE-CD1 3.88Å; M74-Y280 HydrophobicContact CE-CE1 4.08Å; M74-Y280 HydrophobicContact SD-CD1 4.44Å; M74-Y280 HydrophobicContact SD-CE1 4.08Å; M74-N283 HydrophobicContact CE-CB 3.8Å
75	T	98.8	Very high	98.9	Very high	7 Å²	7	8.8 Å²	8.8	4%	0.043	4%	0.038	C	C	.	.	H	α-helix	trans	-48.4	-65	-176.3	-43.6	0	0	0	0	115.5	D39 H79 N96 Y109 Y194 D246 H247	D39-T75 WeakPolarHBondContact OD2-CG2 3.5Å; T75-H79 VanDerWaalsContact O-CB 3.25Å; T75-H79 WeakPolarHBondContact O-CB 3.4Å; T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.23Å; T75-N96 PolarHBondContact N-OD1 3.33Å; T75-Y109 HydrophobicContact CG2-CE2 4.08Å; T75-Y194 HydrophobicContact CG2-CE2 4.44Å; T75-D246 VanDerWaalsContact CA-OD2 3.22Å; T75-D246 WeakPolarHBondContact CA-OD2 3.07Å; T75-H247 PolarHBondContact N-NE2 3.3Å; T75-H247 PolarHBondContact OG1-NE2 2.84Å
76	S	98.9	Very high	98.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.8	-48.2	-175.4	-61.8	0	0	0	0	112.5	M74 F80 N96 Y109	M74-S76 PolarHBondContact O-N 2.82Å; S76-F80 WeakPolarHBondContact O-CB 3.24Å; S76-F80 PolarHBondContact O-N 3.1Å; S76-N96 VanDerWaalsContact CB-OD1 3.32Å; S76-N96 WeakPolarHBondContact CB-OD1 3.5Å; S76-N96 PolarHBondContact N-OD1 2.76Å; S76-N96 PolarHBondContact OG-OD1 3.42Å; S76-Y109 WeakPolarHBondContact OG-CD2 3.46Å; S76-Y109 WeakPolarHBondContact OG-CE2 3.43Å
77	P	98.9	Very high	98.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.7	-51.4	175.7	-26.8	36.5	0	0	0	113.3	V72 M74 F80 T81 I88 H91 V93	V72-P77 HydrophobicContact CG2-CG 4.25Å; M74-P77 HydrophobicContact CB-CG 3.94Å; M74-P77 VanDerWaalsContact O-CD 3.32Å; M74-P77 WeakPolarHBondContact O-CD 3.49Å; P77-F80 PolarHBondContact O-N 2.87Å; P77-T81 PolarHBondContact O-N 2.9Å; P77-T81 PolarHBondContact O-OG1 2.94Å; P77-I88 HydrophobicContact CB-CD1 3.37Å; P77-I88 HydrophobicContact CB-CG1 3.71Å; P77-I88 HydrophobicContact CB-CG2 4.15Å; P77-H91 PolarHBondContact O-NE2 3.33Å; P77-V93 WeakPolarHBondContact CA-O 3.48Å; P77-V93 VanDerWaalsContact CB-O 3.25Å; P77-V93 WeakPolarHBondContact CB-O 3.45Å; P77-V93 VanDerWaalsContact CG-O 3.31Å; P77-V93 WeakPolarHBondContact CG-O 3.42Å
78	C	98.9	Very high	98.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.007	3%	0.028	C	C	.	.	H	α-helix	trans	-66.7	-41.6	-177.9	-66.5	0	0	0	0	112.4	A70 V72 M74 F80 T81 L82 D246	A70-C78 PolarHBondContact O-SG 3.03Å; A70-C78 VanDerWaalsContact O-SG 3.32Å; V72-C78 PolarHBondContact O-SG 3.25Å; M74-C78 WeakPolarHBondContact O-CB 3.49Å; M74-C78 PolarHBondContact O-N 2.8Å; M74-C78 PolarHBondContact O-SG 2.77Å; M74-C78 VanDerWaalsContact O-SG 3.34Å; C78-F80 VanDerWaalsContact C-N 3.27Å; C78-F80 PolarHBondContact O-N 2.94Å; C78-T81 WeakPolarHBondContact O-CB 3.45Å; C78-T81 PolarHBondContact O-N 2.88Å; C78-L82 PolarHBondContact O-N 2.68Å; C78-L82 VanDerWaalsContact O-N 3.12Å; C78-D246 HydrophobicContact CB-CB 3.82Å; C78-D246 WeakPolarHBondContact CB-O 3.48Å
79	H	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.6	-36.4	174.3	-82	92.9	0	0	0	112.4	S37 T75 L82 V83 Y142 P143 Y194 D246	S37-H79 VanDerWaalsContact CB-NE2 3.31Å; S37-H79 WeakPolarHBondContact CB-NE2 3.33Å; S37-H79 PolarHBondContact OG-NE2 2.97Å; T75-H79 VanDerWaalsContact O-CB 3.25Å; T75-H79 WeakPolarHBondContact O-CB 3.4Å; T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.23Å; H79-L82 PolarHBondContact O-N 3.5Å; H79-V83 PolarHBondContact O-N 2.82Å; H79-Y142 HydrophobicContact CB-CE1 3.95Å; H79-Y142 AromaticContact CD2-CE2 3.69Å; H79-Y142 AromaticContact CD2-CZ 3.54Å; H79-Y142 PolarHBondContact O-OH 3.15Å; H79-P143 HydrophobicContact CB-CB 4.01Å; H79-P143 HydrophobicContact CB-CG 3.84Å; H79-Y194 AromaticContact CE1-CD2 3.88Å; H79-Y194 AromaticContact CE1-CE2 3.68Å; H79-Y194 AromaticContact NE2-CD2 3.44Å; H79-Y194 WeakPolarHBondContact NE2-CD2 3.46Å; H79-Y194 AromaticContact NE2-CE2 3.74Å; H79-D246 VanDerWaalsContact CE1-CB 3.45Å; H79-D246 WeakPolarHBondContact CE1-CB 3.46Å; H79-D246 IonicContact CE1-OD1 3.89Å; H79-D246 IonicContact CE1-OD2 3.62Å; H79-D246 PolarHBondContact CE1-OD2 2.86Å; H79-D246 WeakPolarHBondContact ND1-CB 3.31Å; H79-D246 IonicContact ND1-OD2 3.12Å; H79-D246 PolarHBondContact ND1-OD2 2.97Å
80	F	98.9	Very high	98.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-74	-32.7	178	-154.1	-118.1	0	0	0	112.3	S76 P77 C78 V83 T84 H91 V93 W119 P125 Y149	S76-F80 WeakPolarHBondContact O-CB 3.24Å; S76-F80 PolarHBondContact O-N 3.1Å; P77-F80 PolarHBondContact O-N 2.87Å; C78-F80 VanDerWaalsContact C-N 3.27Å; C78-F80 PolarHBondContact O-N 2.94Å; F80-V83 HydrophobicContact CD2-CG2 3.88Å; F80-V83 HydrophobicContact CE2-CG2 4.34Å; F80-V83 WeakPolarHBondContact O-CG2 3.34Å; F80-V83 PolarHBondContact O-N 2.89Å; F80-T84 HydrophobicContact CD1-CG2 4Å; F80-T84 HydrophobicContact CD2-CG2 4.5Å; F80-T84 HydrophobicContact CE1-CG2 3.74Å; F80-T84 HydrophobicContact CE2-CG2 4.24Å; F80-T84 HydrophobicContact CG-CG2 4.38Å; F80-T84 HydrophobicContact CZ-CG2 3.86Å; F80-T84 WeakPolarHBondContact O-CB 3.24Å; F80-T84 WeakPolarHBondContact O-CG2 3.42Å; F80-T84 PolarHBondContact O-N 3.11Å; F80-T84 VanDerWaalsContact O-N 3.11Å; F80-T84 PolarHBondContact O-OG1 3.25Å; F80-H91 HydrophobicContact CD1-CB 3.81Å; F80-H91 AromaticContact CD1-CG 3.71Å; F80-H91 AromaticContact CD1-ND1 3.91Å; F80-H91 HydrophobicContact CE1-CB 3.99Å; F80-V93 HydrophobicContact CB-CB 4.3Å; F80-V93 HydrophobicContact CB-CG2 4.31Å; F80-V93 HydrophobicContact CD1-CB 4.05Å; F80-V93 HydrophobicContact CD1-CG2 3.41Å; F80-V93 VanDerWaalsContact CD1-CG2 3.41Å; F80-V93 HydrophobicContact CE1-CG2 3.78Å; F80-V93 HydrophobicContact CG-CB 4.38Å; F80-V93 HydrophobicContact CG-CG2 3.87Å; F80-W119 HydrophobicContact CB-CZ3 4.42Å; F80-W119 AromaticContact CD2-CE3 3.78Å; F80-W119 HydrophobicContact CD2-CE3 3.78Å; F80-W119 HydrophobicContact CD2-CZ3 4.15Å; F80-W119 HydrophobicContact CE2-CE3 4.09Å; F80-W119 HydrophobicContact CG-CE3 4.22Å; F80-W119 HydrophobicContact CG-CZ3 4.43Å; F80-P125 HydrophobicContact CE2-CB 4.08Å; F80-P125 HydrophobicContact CE2-CG 4.39Å; F80-P125 HydrophobicContact CZ-CB 4.48Å; F80-Y149 HydrophobicContact CE2-CE1 4.05Å; F80-Y149 WeakPolarHBondContact CE2-OH 3.17Å; F80-Y149 AromaticContact CZ-CE1 3.81Å; F80-Y149 HydrophobicContact CZ-CE1 3.81Å
81	T	99	Very high	98.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-55.5	-49	167.7	-67.1	0	0	0	0	111	A70 P77 C78 V83 T84 G85 K86 H91 V385	A70-T81 HydrophobicContact CB-CG2 4.12Å; P77-T81 PolarHBondContact O-N 2.9Å; P77-T81 PolarHBondContact O-OG1 2.94Å; C78-T81 WeakPolarHBondContact O-CB 3.45Å; C78-T81 PolarHBondContact O-N 2.88Å; T81-V83 PolarHBondContact O-N 3.12Å; T81-T84 PolarHBondContact O-N 2.73Å; T81-T84 VanDerWaalsContact O-N 3.17Å; T81-G85 PolarHBondContact O-N 3.26Å; T81-K86 WeakPolarHBondContact CB-O 3.12Å; T81-K86 WeakPolarHBondContact CG2-O 3.33Å; T81-K86 PolarHBondContact OG1-O 3.28Å; T81-K86 VanDerWaalsContact OG1-O 3.14Å; T81-H91 PolarHBondContact N-NE2 2.97Å; T81-H91 PolarHBondContact OG1-NE2 3.14Å; T81-H91 VanDerWaalsContact OG1-NE2 3.07Å; T81-V385 HydrophobicContact CG2-CB 4.37Å
82	L	99	Very high	98.9	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-56.2	-37.4	-179.5	-70.1	172.1	0	0	0	113	M67 C78 H79 Y142 T244 V387 M391	M67-L82 HydrophobicContact CE-CD2 4.15Å; C78-L82 PolarHBondContact O-N 2.68Å; C78-L82 VanDerWaalsContact O-N 3.12Å; H79-L82 PolarHBondContact O-N 3.5Å; L82-Y142 WeakPolarHBondContact CB-OH 3.3Å; L82-T244 HydrophobicContact CD1-CG2 4Å; L82-V387 HydrophobicContact CD2-CB 3.91Å; L82-V387 HydrophobicContact CD2-CG1 4.15Å; L82-V387 HydrophobicContact CD2-CG2 3.83Å; L82-M391 WeakPolarHBondContact O-CE 3.4Å
83	V	98.9	Very high	98.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-95.8	1.1	-176.5	-63.5	0	0	0	0	114.5	L35 H79 F80 T81 P125 I126 W127 Y142 T192 Y388	L35-V83 HydrophobicContact CD2-CG1 4.45Å; H79-V83 PolarHBondContact O-N 2.82Å; F80-V83 HydrophobicContact CD2-CG2 3.88Å; F80-V83 HydrophobicContact CE2-CG2 4.34Å; F80-V83 WeakPolarHBondContact O-CG2 3.34Å; F80-V83 PolarHBondContact O-N 2.89Å; T81-V83 PolarHBondContact O-N 3.12Å; V83-P125 HydrophobicContact CB-CB 4.37Å; V83-P125 HydrophobicContact CG2-CB 4.03Å; V83-P125 CarbonylContact O-C 3.5Å; V83-P125 VanDerWaalsContact O-CA 3.31Å; V83-P125 WeakPolarHBondContact O-CA 3.49Å; V83-I126 HydrophobicContact CB-CG2 3.91Å; V83-I126 HydrophobicContact CG1-CG2 4.01Å; V83-I126 PolarHBondContact O-N 2.7Å; V83-W127 HydrophobicContact CB-CH2 4.34Å; V83-W127 HydrophobicContact CG1-CH2 4.12Å; V83-W127 HydrophobicContact CG1-CZ2 4Å; V83-W127 HydrophobicContact CG2-CH2 3.96Å; V83-W127 HydrophobicContact CG2-CZ3 4.19Å; V83-Y142 HydrophobicContact CG1-CD1 4.45Å; V83-Y142 HydrophobicContact CG1-CE1 3.58Å; V83-Y142 HydrophobicContact CG2-CE1 4.28Å; V83-T192 HydrophobicContact CG1-CG2 4.46Å; V83-Y388 WeakPolarHBondContact O-CD2 3.24Å; V83-Y388 WeakPolarHBondContact O-CE2 3.27Å
84	T	98.9	Very high	98.9	Very high	3 Å²	3	9 Å²	9	2%	0.018	4%	0.043	C	C	.	.	H	α-helix	trans	-125.6	-17.8	178.1	57.3	0	0	0	0	114.1	F80 T81 K86 P125 N402	F80-T84 HydrophobicContact CD1-CG2 4Å; F80-T84 HydrophobicContact CD2-CG2 4.5Å; F80-T84 HydrophobicContact CE1-CG2 3.74Å; F80-T84 HydrophobicContact CE2-CG2 4.24Å; F80-T84 HydrophobicContact CG-CG2 4.38Å; F80-T84 HydrophobicContact CZ-CG2 3.86Å; F80-T84 WeakPolarHBondContact O-CB 3.24Å; F80-T84 WeakPolarHBondContact O-CG2 3.42Å; F80-T84 PolarHBondContact O-N 3.11Å; F80-T84 VanDerWaalsContact O-N 3.11Å; F80-T84 PolarHBondContact O-OG1 3.25Å; T81-T84 PolarHBondContact O-N 2.73Å; T81-T84 VanDerWaalsContact O-N 3.17Å; T84-K86 PolarHBondContact O-N 3.04Å; T84-P125 HydrophobicContact CG2-CB 4.29Å; T84-N402 WeakPolarHBondContact O-CB 3.47Å
85	G	98.9	Very high	98.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.			trans	67.4	19	-175.5	0	0	0	0	0	113.2	T81 V385 N402 D403 G404	T81-G85 PolarHBondContact O-N 3.26Å; G85-V385 VanDerWaalsContact CA-O 3.32Å; G85-V385 WeakPolarHBondContact CA-O 3.35Å; G85-V385 WeakPolarHBondContact O-CG2 3.43Å; G85-N402 WeakPolarHBondContact O-CB 3.18Å; G85-N402 PolarHBondContact O-OD1 2.9Å; G85-D403 PolarHBondContact O-N 3.12Å; G85-G404 PolarHBondContact O-N 3.37Å
86	K	98.9	Very high	98.9	Very high	42 Å²	42	8.9 Å²	8.9	18%	0.183	4%	0.042	C	C	.	.			trans	-114.9	144.9	-176	-72.7	-177.2	-179.1	-172.5	0	110.9	T81 T84 N90 H91 S123 A401 N402 D403	T81-K86 WeakPolarHBondContact CB-O 3.12Å; T81-K86 WeakPolarHBondContact CG2-O 3.33Å; T81-K86 PolarHBondContact OG1-O 3.28Å; T81-K86 VanDerWaalsContact OG1-O 3.14Å; T84-K86 PolarHBondContact O-N 3.04Å; K86-N90 HydrophobicContact CB-CB 4.11Å; K86-N90 HydrophobicContact CD-CB 4.24Å; K86-N90 HydrophobicContact CG-CB 4.44Å; K86-H91 HydrophobicContact CB-CB 4.09Å; K86-H91 HydrophobicContact CD-CB 4.48Å; K86-H91 PolarHBondContact O-CD2 2.94Å; K86-H91 VanDerWaalsContact O-CD2 3.26Å; K86-S123 WeakPolarHBondContact CD-OG 3.43Å; K86-S123 PolarHBondContact NZ-OG 2.84Å; K86-A401 WeakPolarHBondContact CE-O 3.25Å; K86-N402 HydrophobicContact CG-CB 4.24Å; K86-D403 WeakPolarHBondContact CA-OD2 3.39Å
87	Y	98.9	Very high	98.9	Very high	35 Å²	35	10.2 Å²	10.2	14%	0.137	5%	0.049	C	C	.	.			trans	-62.2	161	165	-67.4	-66.8	0	0	0	111.3	E89 N90 H91 H320 E383 V385 D403	Y87-E89 VanDerWaalsContact C-N 3.28Å; Y87-E89 PolarHBondContact O-N 2.82Å; Y87-N90 PolarHBondContact O-N 3.47Å; Y87-H91 PolarHBondContact O-N 3.01Å; Y87-H91 VanDerWaalsContact O-N 3.16Å; Y87-H320 VanDerWaalsContact CB-CB 3.5Å; Y87-H320 HydrophobicContact CD1-CB 3.64Å; Y87-H320 AromaticContact CD1-CG 3.97Å; Y87-H320 HydrophobicContact CD2-CB 3.79Å; Y87-H320 AromaticContact CD2-CG 3.68Å; Y87-H320 AromaticContact CD2-ND1 3.98Å; Y87-H320 HydrophobicContact CE1-CB 4.27Å; Y87-H320 AromaticContact CE1-CD2 3.73Å; Y87-H320 HydrophobicContact CE2-CB 4.39Å; Y87-H320 AromaticContact CE2-CD2 3.79Å; Y87-H320 AromaticContact CE2-CG 3.85Å; Y87-H320 HydrophobicContact CG-CB 3.36Å; Y87-H320 AromaticContact CG-CG 3.75Å; Y87-H320 AromaticContact CZ-CD2 3.61Å; Y87-H320 AromaticContact CZ-NE2 3.99Å; Y87-E383 PolarHBondContact OH-OE2 3.06Å; Y87-V385 HydrophobicContact CD1-CG2 4.49Å; Y87-V385 HydrophobicContact CE1-CB 4.29Å; Y87-V385 HydrophobicContact CE1-CG1 4.31Å; Y87-V385 HydrophobicContact CE1-CG2 4.44Å; Y87-D403 HydrophobicContact CD2-CB 3.66Å; Y87-D403 HydrophobicContact CE2-CB 3.88Å; Y87-D403 PolarHBondContact N-OD2 3.15Å
88	I	98.9	Very high	98.9	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-63.7	-36.3	-169.4	-72.8	165.5	0	0	0	112.1	A70 F71 V72 P77 N90 H91 G92 V94 Y321	A70-I88 HydrophobicContact CB-CD1 3.68Å; A70-I88 HydrophobicContact CB-CG1 4.01Å; F71-I88 WeakPolarHBondContact O-CD1 3.42Å; V72-I88 WeakPolarHBondContact O-CD1 3.25Å; P77-I88 HydrophobicContact CB-CD1 3.37Å; P77-I88 HydrophobicContact CB-CG1 3.71Å; P77-I88 HydrophobicContact CB-CG2 4.15Å; I88-N90 VanDerWaalsContact C-N 3.25Å; I88-N90 PolarHBondContact O-N 2.92Å; I88-H91 VanDerWaalsContact CA-CE1 3.43Å; I88-H91 WeakPolarHBondContact CA-CE1 3.26Å; I88-H91 PolarHBondContact O-ND1 3.02Å; I88-G92 PolarHBondContact O-N 3.26Å; I88-V94 HydrophobicContact CG2-CB 4.25Å; I88-V94 HydrophobicContact CG2-CG1 4.07Å; I88-Y321 HydrophobicContact CB-CD2 4.18Å; I88-Y321 HydrophobicContact CG2-CD2 3.61Å; I88-Y321 HydrophobicContact CG2-CE2 3.7Å
89	E	98.8	Very high	98.9	Very high	24 Å²	24	11.6 Å²	11.6	11%	0.112	5%	0.054	C	C	.	.	H	α-helix	trans	-64.2	-29.4	175.8	71.9	-171.7	-177.5	0	0	113.4	Y87 H320 Y321 A322 S323 N324	Y87-E89 VanDerWaalsContact C-N 3.28Å; Y87-E89 PolarHBondContact O-N 2.82Å; E89-H320 WeakPolarHBondContact CB-O 3.22Å; E89-H320 VanDerWaalsContact CG-O 3.28Å; E89-H320 WeakPolarHBondContact CG-O 3.46Å; E89-H320 PolarHBondContact N-O 3.04Å; E89-H320 IonicContact OE1-ND1 3.42Å; E89-H320 VanDerWaalsContact OE2-C 3.28Å; E89-Y321 WeakPolarHBondContact CB-O 3.31Å; E89-Y321 PolarHBondContact OE2-N 3.16Å; E89-Y321 VanDerWaalsContact OE2-N 3.15Å; E89-A322 PolarHBondContact OE2-N 2.89Å; E89-S323 WeakPolarHBondContact OE2-CB 3.41Å; E89-S323 PolarHBondContact OE2-N 3.22Å; E89-S323 PolarHBondContact OE2-OG 3.06Å; E89-N324 HydrophobicContact CB-CB 4.34Å; E89-N324 WeakPolarHBondContact O-CB 3.42Å; E89-N324 PolarHBondContact O-ND2 3.03Å
90	N	98.9	Very high	98.9	Very high	71 Å²	71	14 Å²	14	38%	0.38	7%	0.067	S	C	.	.	H	α-helix	trans	-87.1	-32.8	-175.5	-69.9	-28.3	0	0	0	112.8	K86 Y87 I88 D403	K86-N90 HydrophobicContact CB-CB 4.11Å; K86-N90 HydrophobicContact CD-CB 4.24Å; K86-N90 HydrophobicContact CG-CB 4.44Å; Y87-N90 PolarHBondContact O-N 3.47Å; I88-N90 VanDerWaalsContact C-N 3.25Å; I88-N90 PolarHBondContact O-N 2.92Å; N90-D403 VanDerWaalsContact ND2-CG 3.32Å; N90-D403 PolarHBondContact ND2-OD1 3.27Å; N90-D403 PolarHBondContact ND2-OD2 3.38Å
91	H	98.9	Very high	98.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-88.6	-22.2	176.5	65.2	46.9	0	0	0	114.1	P77 F80 T81 K86 Y87 I88 V93	P77-H91 PolarHBondContact O-NE2 3.33Å; F80-H91 HydrophobicContact CD1-CB 3.81Å; F80-H91 AromaticContact CD1-CG 3.71Å; F80-H91 AromaticContact CD1-ND1 3.91Å; F80-H91 HydrophobicContact CE1-CB 3.99Å; T81-H91 PolarHBondContact N-NE2 2.97Å; T81-H91 PolarHBondContact OG1-NE2 3.14Å; T81-H91 VanDerWaalsContact OG1-NE2 3.07Å; K86-H91 HydrophobicContact CB-CB 4.09Å; K86-H91 HydrophobicContact CD-CB 4.48Å; K86-H91 PolarHBondContact O-CD2 2.94Å; K86-H91 VanDerWaalsContact O-CD2 3.26Å; Y87-H91 PolarHBondContact O-N 3.01Å; Y87-H91 VanDerWaalsContact O-N 3.16Å; I88-H91 VanDerWaalsContact CA-CE1 3.43Å; I88-H91 WeakPolarHBondContact CA-CE1 3.26Å; I88-H91 PolarHBondContact O-ND1 3.02Å; H91-V93 VanDerWaalsContact C-N 3.35Å; H91-V93 PolarHBondContact CE1-O 2.89Å; H91-V93 VanDerWaalsContact CE1-O 3.32Å; H91-V93 PolarHBondContact ND1-N 3.37Å; H91-V93 VanDerWaalsContact ND1-N 3.19Å; H91-V93 PolarHBondContact O-N 3.28Å
92	G	98.8	Very high	98.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.			trans	82.6	-5.8	171	0	0	0	0	0	116.9	I88 V94 N324 R326	I88-G92 PolarHBondContact O-N 3.26Å; G92-V94 PolarHBondContact O-N 3.21Å; G92-N324 WeakPolarHBondContact CA-ND2 3.37Å; G92-R326 WeakPolarHBondContact O-CD 3.15Å; G92-R326 PolarHBondContact O-NH1 3.06Å
93	V	98.9	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.			trans	-74.4	77.5	164.5	-175.7	0	0	0	0	109	P77 F80 H91 W119	P77-V93 WeakPolarHBondContact CA-O 3.48Å; P77-V93 VanDerWaalsContact CB-O 3.25Å; P77-V93 WeakPolarHBondContact CB-O 3.45Å; P77-V93 VanDerWaalsContact CG-O 3.31Å; P77-V93 WeakPolarHBondContact CG-O 3.42Å; F80-V93 HydrophobicContact CB-CB 4.3Å; F80-V93 HydrophobicContact CB-CG2 4.31Å; F80-V93 HydrophobicContact CD1-CB 4.05Å; F80-V93 HydrophobicContact CD1-CG2 3.41Å; F80-V93 VanDerWaalsContact CD1-CG2 3.41Å; F80-V93 HydrophobicContact CE1-CG2 3.78Å; F80-V93 HydrophobicContact CG-CB 4.38Å; F80-V93 HydrophobicContact CG-CG2 3.87Å; H91-V93 VanDerWaalsContact C-N 3.35Å; H91-V93 PolarHBondContact CE1-O 2.89Å; H91-V93 VanDerWaalsContact CE1-O 3.32Å; H91-V93 PolarHBondContact ND1-N 3.37Å; H91-V93 VanDerWaalsContact ND1-N 3.19Å; H91-V93 PolarHBondContact O-N 3.28Å; V93-W119 HydrophobicContact CG1-CE3 4.21Å; V93-W119 HydrophobicContact CG1-CH2 4.39Å; V93-W119 HydrophobicContact CG1-CZ3 3.93Å; V93-W119 HydrophobicContact CG2-CD2 4.43Å; V93-W119 HydrophobicContact CG2-CE3 3.83Å; V93-W119 HydrophobicContact CG2-CZ3 4.33Å
94	V	98.9	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.			trans	-87.4	-0.7	-170.2	-60.8	0	0	0	0	114.8	I88 G92 Y99 W118 Y321 N324 R326 V327	I88-V94 HydrophobicContact CG2-CB 4.25Å; I88-V94 HydrophobicContact CG2-CG1 4.07Å; G92-V94 PolarHBondContact O-N 3.21Å; V94-Y99 HydrophobicContact CG2-CE1 4.21Å; V94-Y99 WeakPolarHBondContact CG2-OH 3.29Å; V94-W118 HydrophobicContact CG2-CH2 4Å; V94-W118 HydrophobicContact CG2-CZ2 4.34Å; V94-Y321 HydrophobicContact CB-CE2 4.1Å; V94-Y321 WeakPolarHBondContact O-CE2 3.48Å; V94-Y321 PolarHBondContact O-OH 2.99Å; V94-N324 HydrophobicContact CG1-CB 4.03Å; V94-R326 HydrophobicContact CG2-CB 3.89Å; V94-V327 HydrophobicContact CB-CG2 4.33Å; V94-V327 HydrophobicContact CG1-CG2 4.11Å; V94-V327 HydrophobicContact CG2-CG2 4.49Å
95	H	98.9	Very high	98.8	Very high	4 Å²	4	31 Å²	31	2%	0.019	17%	0.167	C	C	.	.	S	Bend	trans	-161.1	157.5	-178.5	-156.1	-79.8	0	0	0	111.3	M97 Y99 W118 L277 Y280	H95-M97 WeakPolarHBondContact ND1-CB 3.12Å; H95-M97 PolarHBondContact ND1-N 3.21Å; H95-M97 PolarHBondContact O-N 2.98Å; H95-Y99 HydrophobicContact CB-CD1 4.5Å; H95-Y99 HydrophobicContact CB-CE1 4.13Å; H95-W118 HydrophobicContact CB-CZ2 4.14Å; H95-W118 WeakPolarHBondContact O-CZ2 3.17Å; H95-W118 PolarHBondContact O-NE1 3.34Å; H95-L277 VanDerWaalsContact NE2-CD2 3.25Å; H95-L277 WeakPolarHBondContact NE2-CD2 3.11Å; H95-Y280 AromaticContact CE1-CD1 3.27Å; H95-Y280 WeakPolarHBondContact CE1-CD1 3.33Å; H95-Y280 AromaticContact CE1-CE1 3.48Å; H95-Y280 VanDerWaalsContact CE1-CE1 3.48Å; H95-Y280 WeakPolarHBondContact CE1-CE1 3.48Å; H95-Y280 AromaticContact CE1-CG 3.79Å; H95-Y280 AromaticContact NE2-CD1 3.65Å
96	N	98.8	Very high	98.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-61.5	-18.4	167.3	-84.1	-11.3	0	0	0	114	T75 S76 Y109 T112 Y280	T75-N96 PolarHBondContact N-OD1 3.33Å; S76-N96 VanDerWaalsContact CB-OD1 3.32Å; S76-N96 WeakPolarHBondContact CB-OD1 3.5Å; S76-N96 PolarHBondContact N-OD1 2.76Å; S76-N96 PolarHBondContact OG-OD1 3.42Å; N96-Y109 WeakPolarHBondContact O-CA 3.42Å; N96-T112 WeakPolarHBondContact O-CB 3.27Å; N96-T112 PolarHBondContact O-OG1 3.43Å; N96-Y280 HydrophobicContact CB-CE1 4.12Å; N96-Y280 WeakPolarHBondContact CB-OH 3.47Å; N96-Y280 PolarHBondContact ND2-OH 2.69Å
97	M	98.9	Very high	98.8	Very high	29 Å²	29	35.5 Å²	35.5	14%	0.143	19%	0.188	C	C	.	.	S	Bend	trans	-113.1	125.7	-173.3	-65	-175.3	78.6	0	0	108.7	H95 Y99 K106 L107 W118 Y280	H95-M97 WeakPolarHBondContact ND1-CB 3.12Å; H95-M97 PolarHBondContact ND1-N 3.21Å; H95-M97 PolarHBondContact O-N 2.98Å; M97-Y99 WeakPolarHBondContact O-CD1 3.14Å; M97-Y99 PolarHBondContact O-N 2.98Å; M97-K106 HydrophobicContact CE-CB 3.82Å; M97-L107 VanDerWaalsContact CA-O 3.22Å; M97-L107 WeakPolarHBondContact CA-O 3.45Å; M97-L107 WeakPolarHBondContact CB-O 3.4Å; M97-L107 WeakPolarHBondContact CE-O 3.06Å; M97-L107 VanDerWaalsContact CG-O 3.31Å; M97-L107 WeakPolarHBondContact CG-O 3.5Å; M97-W118 WeakPolarHBondContact O-CZ2 3.42Å; M97-Y280 HydrophobicContact CG-CE2 4.38Å; M97-Y280 HydrophobicContact SD-CD2 4.01Å; M97-Y280 HydrophobicContact SD-CE2 4.15Å
98	Y	98.9	Very high	98.7	Very high	17 Å²	17	37.6 Å²	37.6	7%	0.067	21%	0.206	C	C	.	.			trans	-62.3	126.4	160.1	169	-95.5	0	0	0	107.9	N100 V105 K106 L107 T112 I115 R117 W118	Y98-N100 HydrophobicContact CE1-CB 4.37Å; Y98-V105 HydrophobicContact CD1-CG1 4.06Å; Y98-V105 HydrophobicContact CE1-CB 4.5Å; Y98-V105 HydrophobicContact CE1-CG1 3.91Å; Y98-K106 WeakPolarHBondContact O-CA 3.44Å; Y98-L107 HydrophobicContact CD1-CD1 3.77Å; Y98-L107 HydrophobicContact CD1-CG 4.06Å; Y98-L107 HydrophobicContact CG-CD1 4.47Å; Y98-L107 PolarHBondContact O-N 2.81Å; Y98-T112 VanDerWaalsContact N-CG2 3.33Å; Y98-T112 PolarHBondContact N-OG1 3.15Å; Y98-I115 HydrophobicContact CD2-CG2 3.69Å; Y98-I115 HydrophobicContact CE2-CG2 4.11Å; Y98-I115 HydrophobicContact CG-CB 4.48Å; Y98-I115 HydrophobicContact CG-CG1 4.31Å; Y98-I115 HydrophobicContact CG-CG2 3.95Å; Y98-R117 HydrophobicContact CE2-CG 4.41Å; Y98-R117 PolarHBondContact OH-NE 3.4Å; Y98-R117 VanDerWaalsContact OH-NE 3.12Å; Y98-R117 PolarHBondContact OH-NH2 3.05Å; Y98-R117 VanDerWaalsContact OH-NH2 3.13Å; Y98-W118 HydrophobicContact CD2-CB 4.22Å; Y98-W118 HydrophobicContact CD2-CD2 4.08Å; Y98-W118 AromaticContact CD2-CE3 3.55Å; Y98-W118 HydrophobicContact CD2-CE3 3.55Å; Y98-W118 HydrophobicContact CD2-CG 4.4Å; Y98-W118 HydrophobicContact CD2-CZ3 4.22Å; Y98-W118 HydrophobicContact CE2-CE3 4.24Å; Y98-W118 HydrophobicContact CG-CE3 4.44Å
99	Y	98.9	Very high	98.7	Very high	13 Å²	13	39.3 Å²	39.3	5%	0.051	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-131.5	158.5	171.5	63.9	-94.3	0	0	0	112.4	V94 H95 M97 T101 V105 W118 F275 L277 M285 R326	V94-Y99 HydrophobicContact CG2-CE1 4.21Å; V94-Y99 WeakPolarHBondContact CG2-OH 3.29Å; H95-Y99 HydrophobicContact CB-CD1 4.5Å; H95-Y99 HydrophobicContact CB-CE1 4.13Å; M97-Y99 WeakPolarHBondContact O-CD1 3.14Å; M97-Y99 PolarHBondContact O-N 2.98Å; Y99-T101 HydrophobicContact CD2-CG2 4.22Å; Y99-T101 HydrophobicContact CE2-CG2 4.27Å; Y99-V105 CarbonylContact C-O 3.53Å; Y99-V105 WeakPolarHBondContact CA-O 3.27Å; Y99-W118 AromaticContact CD1-CH2 3.87Å; Y99-W118 HydrophobicContact CD1-CH2 3.87Å; Y99-W118 AromaticContact CE1-CH2 3.6Å; Y99-W118 HydrophobicContact CE1-CH2 3.6Å; Y99-W118 HydrophobicContact CE1-CZ2 4.39Å; Y99-W118 HydrophobicContact CE1-CZ3 4.45Å; Y99-F275 HydrophobicContact CD2-CE1 4.1Å; Y99-F275 AromaticContact CD2-CZ 3.86Å; Y99-F275 HydrophobicContact CD2-CZ 3.86Å; Y99-F275 HydrophobicContact CG-CZ 4.02Å; Y99-L277 HydrophobicContact CD1-CD1 3.66Å; Y99-L277 HydrophobicContact CE1-CD1 4.22Å; Y99-L277 HydrophobicContact CG-CD1 4.11Å; Y99-M285 HydrophobicContact CE1-SD 4.33Å; Y99-M285 PolarHBondContact OH-SD 2.79Å; Y99-M285 VanDerWaalsContact OH-SD 3.41Å; Y99-R326 WeakPolarHBondContact CE2-O 3.25Å; Y99-R326 VanDerWaalsContact OH-C 3.25Å; Y99-R326 PolarHBondContact OH-O 3.39Å
100	N	98.8	Very high	98.7	Very high	51 Å²	51	40 Å²	40	27%	0.273	22%	0.216	S	C	.	.			trans	-139.3	115.7	173	-176.9	-46.1	0	0	0	109.6	Y98 T102 S103 K104 V105	Y98-N100 HydrophobicContact CE1-CB 4.37Å; N100-T102 VanDerWaalsContact C-N 3.26Å; N100-T102 PolarHBondContact O-N 3.38Å; N100-T102 WeakPolarHBondContact OD1-CA 3.5Å; N100-T102 WeakPolarHBondContact OD1-CB 3.41Å; N100-T102 PolarHBondContact OD1-N 3.24Å; N100-S103 VanDerWaalsContact CB-OG 3.3Å; N100-S103 WeakPolarHBondContact CB-OG 3.42Å; N100-S103 VanDerWaalsContact CG-OG 3.29Å; N100-S103 PolarHBondContact OD1-N 3.44Å; N100-S103 PolarHBondContact OD1-OG 2.89Å; N100-K104 VanDerWaalsContact O-CA 3.25Å; N100-K104 WeakPolarHBondContact O-CA 3.03Å; N100-K104 PolarHBondContact O-N 2.82Å; N100-V105 PolarHBondContact N-O 3.09Å
101	T	98.7	Very high	98.7	Very high	39 Å²	39	38.5 Å²	38.5	24%	0.239	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.1	-175.1	60.7	0	0	0	0	113.3	Y99 K104 F275 L287 T328	Y99-T101 HydrophobicContact CD2-CG2 4.22Å; Y99-T101 HydrophobicContact CE2-CG2 4.27Å; T101-K104 WeakPolarHBondContact O-CE 3.43Å; T101-K104 PolarHBondContact O-NZ 2.98Å; T101-F275 HydrophobicContact CG2-CD1 3.74Å; T101-F275 HydrophobicContact CG2-CE1 4.05Å; T101-F275 HydrophobicContact CG2-CG 4.02Å; T101-L287 HydrophobicContact CG2-CD2 4.33Å; T101-T328 HydrophobicContact CG2-CG2 4.08Å
102	T	98.3	Very high	98.7	Very high	111 Å²	111	38.5 Å²	38.5	68%	0.681	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-54.9	176.4	-60.8	0	0	0	0	110.9	N100 K104	N100-T102 VanDerWaalsContact C-N 3.26Å; N100-T102 PolarHBondContact O-N 3.38Å; N100-T102 WeakPolarHBondContact OD1-CA 3.5Å; N100-T102 WeakPolarHBondContact OD1-CB 3.41Å; N100-T102 PolarHBondContact OD1-N 3.24Å; T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 WeakPolarHBondContact O-CE 3.42Å; T102-K104 PolarHBondContact O-N 3.01Å
103	S	98.3	Very high	98.6	Very high	67 Å²	67	38.8 Å²	38.8	47%	0.469	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.7	-178.5	67.3	0	0	0	0	114.4	N100 V105	N100-S103 VanDerWaalsContact CB-OG 3.3Å; N100-S103 WeakPolarHBondContact CB-OG 3.42Å; N100-S103 VanDerWaalsContact CG-OG 3.29Å; N100-S103 PolarHBondContact OD1-N 3.44Å; N100-S103 PolarHBondContact OD1-OG 2.89Å; S103-V105 PolarHBondContact O-N 3.33Å; S103-V105 WeakPolarHBondContact OG-CG2 3.48Å
104	K	98.4	Very high	98.6	Very high	89 Å²	89	40.6 Å²	40.6	39%	0.387	23%	0.233	S	C	.	.			trans	67.1	6	-176.8	-41.1	-57	170.3	-170.9	0	115.2	N100 T101 T102 K106 K274 F275	N100-K104 VanDerWaalsContact O-CA 3.25Å; N100-K104 WeakPolarHBondContact O-CA 3.03Å; N100-K104 PolarHBondContact O-N 2.82Å; T101-K104 WeakPolarHBondContact O-CE 3.43Å; T101-K104 PolarHBondContact O-NZ 2.98Å; T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 WeakPolarHBondContact O-CE 3.42Å; T102-K104 PolarHBondContact O-N 3.01Å; K104-K106 PolarHBondContact O-N 2.97Å; K104-K274 WeakPolarHBondContact CE-O 3.47Å; K104-K274 VanDerWaalsContact NZ-CG 3.26Å; K104-K274 PolarHBondContact NZ-O 2.77Å; K104-F275 HydrophobicContact CD-CB 4.43Å; K104-F275 HydrophobicContact CD-CD2 4.31Å
105	V	98.7	Very high	98.6	Very high	55 Å²	55	42 Å²	42	33%	0.333	24%	0.241	S	C	.	.			trans	-61.2	135.3	177.1	171.4	0	0	0	0	109.7	Y98 Y99 N100 S103 L107	Y98-V105 HydrophobicContact CD1-CG1 4.06Å; Y98-V105 HydrophobicContact CE1-CB 4.5Å; Y98-V105 HydrophobicContact CE1-CG1 3.91Å; Y99-V105 CarbonylContact C-O 3.53Å; Y99-V105 WeakPolarHBondContact CA-O 3.27Å; N100-V105 PolarHBondContact N-O 3.09Å; S103-V105 PolarHBondContact O-N 3.33Å; S103-V105 WeakPolarHBondContact OG-CG2 3.48Å; V105-L107 HydrophobicContact CG1-CD1 4.35Å; V105-L107 HydrophobicContact CG1-CD2 4Å; V105-L107 HydrophobicContact CG1-CG 3.75Å
106	K	98.8	Very high	98.6	Very high	86 Å²	86	46 Å²	46	37%	0.374	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-135.5	114.8	167.4	-64.6	-174.3	-72.5	-173.5	0	107	M97 Y98 K104 F275 E276 L277	M97-K106 HydrophobicContact CE-CB 3.82Å; Y98-K106 WeakPolarHBondContact O-CA 3.44Å; K104-K106 PolarHBondContact O-N 2.97Å; K106-F275 HydrophobicContact CD-CE2 4.1Å; K106-F275 HydrophobicContact CD-CZ 4.08Å; K106-F275 HydrophobicContact CG-CE2 3.88Å; K106-F275 HydrophobicContact CG-CZ 4.05Å; K106-E276 WeakPolarHBondContact CD-O 3.34Å; K106-E276 PolarHBondContact NZ-O 2.98Å; K106-L277 HydrophobicContact CD-CG 4.22Å
107	L	98.8	Very high	98.6	Very high	50 Å²	50	52.5 Å²	52.5	26%	0.262	28%	0.284	S	S	.	.			trans	-104.6	137.4	179.8	-62.7	179.2	0	0	0	109.7	M97 Y98 V105 A111 T112 I115	M97-L107 VanDerWaalsContact CA-O 3.22Å; M97-L107 WeakPolarHBondContact CA-O 3.45Å; M97-L107 WeakPolarHBondContact CB-O 3.4Å; M97-L107 WeakPolarHBondContact CE-O 3.06Å; M97-L107 VanDerWaalsContact CG-O 3.31Å; M97-L107 WeakPolarHBondContact CG-O 3.5Å; Y98-L107 HydrophobicContact CD1-CD1 3.77Å; Y98-L107 HydrophobicContact CD1-CG 4.06Å; Y98-L107 HydrophobicContact CG-CD1 4.47Å; Y98-L107 PolarHBondContact O-N 2.81Å; V105-L107 HydrophobicContact CG1-CD1 4.35Å; V105-L107 HydrophobicContact CG1-CD2 4Å; V105-L107 HydrophobicContact CG1-CG 3.75Å; L107-A111 HydrophobicContact CB-CB 4.06Å; L107-T112 PolarHBondContact O-OG1 3.28Å; L107-I115 HydrophobicContact CD1-CD1 3.64Å; L107-I115 HydrophobicContact CD1-CG1 3.91Å
108	P	98.4	Very high	98.6	Very high	78 Å²	78	51.3 Å²	51.3	51%	0.506	28%	0.277	S	S	.	.			trans	-65.3	170.6	177.9	29.7	-36.1	0	0	0	111.6	H110 A111 T112	P108-H110 PolarHBondContact O-N 2.9Å; P108-A111 HydrophobicContact CG-CB 4.1Å; P108-A111 PolarHBondContact O-N 2.99Å; P108-T112 WeakPolarHBondContact O-CB 3.4Å; P108-T112 PolarHBondContact O-N 2.87Å; P108-T112 PolarHBondContact O-OG1 2.85Å
109	Y	98.2	Very high	98.6	Very high	37 Å²	37	50.5 Å²	50.5	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-44.3	-60.4	-179.6	168.5	-105.1	0	0	0	113.3	T75 S76 N96 A111 T112 L113	T75-Y109 HydrophobicContact CG2-CE2 4.08Å; S76-Y109 WeakPolarHBondContact OG-CD2 3.46Å; S76-Y109 WeakPolarHBondContact OG-CE2 3.43Å; N96-Y109 WeakPolarHBondContact O-CA 3.42Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.28Å; Y109-T112 WeakPolarHBondContact O-CA 3.49Å; Y109-T112 VanDerWaalsContact O-CB 3.27Å; Y109-T112 WeakPolarHBondContact O-CB 3.22Å; Y109-T112 PolarHBondContact O-N 2.79Å; Y109-L113 HydrophobicContact CD2-CD2 4.4Å; Y109-L113 HydrophobicContact CE1-CD1 3.96Å; Y109-L113 HydrophobicContact CE1-CG 4.47Å; Y109-L113 HydrophobicContact CE2-CD2 3.78Å; Y109-L113 HydrophobicContact CE2-CG 4.38Å; Y109-L113 PolarHBondContact O-N 2.91Å; Y109-L113 VanDerWaalsContact O-N 3.12Å
110	H	98.3	Very high	98.6	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.181	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-42.7	-175.9	-176.3	-88.9	0	0	0	113.4	P108 T112 L113 E160 G161	P108-H110 PolarHBondContact O-N 2.9Å; H110-T112 VanDerWaalsContact C-N 3.3Å; H110-T112 PolarHBondContact O-N 3.29Å; H110-L113 WeakPolarHBondContact O-CB 3.44Å; H110-L113 PolarHBondContact O-N 3.44Å; H110-E160 IonicContact CD2-OE1 3.2Å; H110-E160 PolarHBondContact CD2-OE1 2.75Å; H110-E160 PolarHBondContact NE2-O 2.96Å; H110-E160 IonicContact NE2-OE1 3.73Å; H110-G161 PolarHBondContact NE2-O 2.91Å
111	A	98.6	Very high	98.5	Very high	40 Å²	40	52.8 Å²	52.8	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-36.9	177.1	0	0	0	0	0	111.5	L107 P108 Y109 L113 G114 I115	L107-A111 HydrophobicContact CB-CB 4.06Å; P108-A111 HydrophobicContact CG-CB 4.1Å; P108-A111 PolarHBondContact O-N 2.99Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.28Å; A111-L113 VanDerWaalsContact C-N 3.31Å; A111-L113 PolarHBondContact O-N 3.15Å; A111-G114 PolarHBondContact O-N 3.31Å; A111-I115 WeakPolarHBondContact O-CG1 3.37Å
112	T	98.8	Very high	98.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-32.8	178.7	-59.3	0	0	0	0	112.6	N96 Y98 L107 P108 Y109 H110 G114 I115 W118 W119	N96-T112 WeakPolarHBondContact O-CB 3.27Å; N96-T112 PolarHBondContact O-OG1 3.43Å; Y98-T112 VanDerWaalsContact N-CG2 3.33Å; Y98-T112 PolarHBondContact N-OG1 3.15Å; L107-T112 PolarHBondContact O-OG1 3.28Å; P108-T112 WeakPolarHBondContact O-CB 3.4Å; P108-T112 PolarHBondContact O-N 2.87Å; P108-T112 PolarHBondContact O-OG1 2.85Å; Y109-T112 WeakPolarHBondContact O-CA 3.49Å; Y109-T112 VanDerWaalsContact O-CB 3.27Å; Y109-T112 WeakPolarHBondContact O-CB 3.22Å; Y109-T112 PolarHBondContact O-N 2.79Å; H110-T112 VanDerWaalsContact C-N 3.3Å; H110-T112 PolarHBondContact O-N 3.29Å; T112-G114 PolarHBondContact O-N 2.75Å; T112-I115 PolarHBondContact O-N 3.09Å; T112-W118 HydrophobicContact CG2-CG 3.94Å; T112-W119 HydrophobicContact CG2-CZ2 4.4Å; T112-W119 PolarHBondContact O-NE1 3.12Å
113	L	98.6	Very high	98.5	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.6	174.8	-60.3	-178	0	0	0	113.3	Y109 H110 A111 W119 P143 V147 K159 E160	Y109-L113 HydrophobicContact CD2-CD2 4.4Å; Y109-L113 HydrophobicContact CE1-CD1 3.96Å; Y109-L113 HydrophobicContact CE1-CG 4.47Å; Y109-L113 HydrophobicContact CE2-CD2 3.78Å; Y109-L113 HydrophobicContact CE2-CG 4.38Å; Y109-L113 PolarHBondContact O-N 2.91Å; Y109-L113 VanDerWaalsContact O-N 3.12Å; H110-L113 WeakPolarHBondContact O-CB 3.44Å; H110-L113 PolarHBondContact O-N 3.44Å; A111-L113 VanDerWaalsContact C-N 3.31Å; A111-L113 PolarHBondContact O-N 3.15Å; L113-W119 HydrophobicContact CD2-CH2 4.06Å; L113-W119 HydrophobicContact CD2-CZ2 3.78Å; L113-P143 HydrophobicContact CD2-CB 4.16Å; L113-V147 WeakPolarHBondContact O-CG1 2.99Å; L113-K159 HydrophobicContact CB-CD 3.97Å; L113-K159 HydrophobicContact CD1-CD 4.37Å; L113-K159 HydrophobicContact CD1-CG 4.47Å; L113-E160 VanDerWaalsContact CD1-OE1 3.23Å; L113-E160 WeakPolarHBondContact CD1-OE1 3.38Å
114	G	98.3	Very high	98.5	Very high	38 Å²	38	45.9 Å²	45.9	39%	0.392	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.7	176.4	0	0	0	0	0	115.6	A111 T112 Q116	A111-G114 PolarHBondContact O-N 3.31Å; T112-G114 PolarHBondContact O-N 2.75Å; G114-Q116 PolarHBondContact O-N 2.87Å
115	I	98.8	Very high	98.5	Very high	30 Å²	30	41.6 Å²	41.6	15%	0.154	24%	0.235	C	C	.	.			trans	-89.1	88.5	-176.1	-54	-60.6	0	0	0	109.8	Y98 L107 A111 T112 R117 W118	Y98-I115 HydrophobicContact CD2-CG2 3.69Å; Y98-I115 HydrophobicContact CE2-CG2 4.11Å; Y98-I115 HydrophobicContact CG-CB 4.48Å; Y98-I115 HydrophobicContact CG-CG1 4.31Å; Y98-I115 HydrophobicContact CG-CG2 3.95Å; L107-I115 HydrophobicContact CD1-CD1 3.64Å; L107-I115 HydrophobicContact CD1-CG1 3.91Å; A111-I115 WeakPolarHBondContact O-CG1 3.37Å; T112-I115 PolarHBondContact O-N 3.09Å; I115-R117 VanDerWaalsContact C-N 3.32Å; I115-R117 HydrophobicContact CG2-CG 3.7Å; I115-R117 PolarHBondContact O-N 2.88Å; I115-R117 VanDerWaalsContact O-N 3.16Å; I115-W118 HydrophobicContact CB-CB 4.11Å; I115-W118 HydrophobicContact CG2-CB 4.05Å; I115-W118 WeakPolarHBondContact O-CB 3.16Å; I115-W118 PolarHBondContact O-N 3.16Å
116	Q	98.8	Very high	98.6	Very high	87 Å²	87	39 Å²	39	41%	0.407	22%	0.219	S	C	.	.	H	α-helix	trans	-45	-52.3	-176.7	-173.3	-171.9	-30.4	0	0	113.5	G114 W118 W119 D120 V147 T148	G114-Q116 PolarHBondContact O-N 2.87Å; Q116-W118 PolarHBondContact O-N 3.31Å; Q116-W119 PolarHBondContact O-N 2.72Å; Q116-D120 HydrophobicContact CG-CB 4.18Å; Q116-D120 WeakPolarHBondContact O-CB 3.2Å; Q116-D120 PolarHBondContact O-N 3.21Å; Q116-V147 HydrophobicContact CB-CB 4.24Å; Q116-V147 HydrophobicContact CB-CG1 4.41Å; Q116-V147 HydrophobicContact CG-CB 4.28Å; Q116-T148 VanDerWaalsContact CG-O 3.23Å; Q116-T148 WeakPolarHBondContact CG-O 3.35Å; Q116-T148 PolarHBondContact NE2-OG1 3.37Å; Q116-T148 PolarHBondContact OE1-OG1 2.72Å; Q116-T148 VanDerWaalsContact OE1-OG1 3.13Å
117	R	98.5	Very high	98.6	Very high	142 Å²	142	34.9 Å²	34.9	54%	0.536	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-18.1	-179.8	65.3	178	177.1	-87.4	-1.8	114.9	Y98 I115 R326	Y98-R117 HydrophobicContact CE2-CG 4.41Å; Y98-R117 PolarHBondContact OH-NE 3.4Å; Y98-R117 VanDerWaalsContact OH-NE 3.12Å; Y98-R117 PolarHBondContact OH-NH2 3.05Å; Y98-R117 VanDerWaalsContact OH-NH2 3.13Å; I115-R117 VanDerWaalsContact C-N 3.32Å; I115-R117 HydrophobicContact CG2-CG 3.7Å; I115-R117 PolarHBondContact O-N 2.88Å; I115-R117 VanDerWaalsContact O-N 3.16Å; R117-R326 PolarHBondContact O-NH2 3.19Å
118	W	98.8	Very high	98.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-71.5	-42	175.3	-169.3	-117.3	0	0	0	110.5	V94 H95 M97 Y98 Y99 T112 I115 Q116 R326	V94-W118 HydrophobicContact CG2-CH2 4Å; V94-W118 HydrophobicContact CG2-CZ2 4.34Å; H95-W118 HydrophobicContact CB-CZ2 4.14Å; H95-W118 WeakPolarHBondContact O-CZ2 3.17Å; H95-W118 PolarHBondContact O-NE1 3.34Å; M97-W118 WeakPolarHBondContact O-CZ2 3.42Å; Y98-W118 HydrophobicContact CD2-CB 4.22Å; Y98-W118 HydrophobicContact CD2-CD2 4.08Å; Y98-W118 AromaticContact CD2-CE3 3.55Å; Y98-W118 HydrophobicContact CD2-CE3 3.55Å; Y98-W118 HydrophobicContact CD2-CG 4.4Å; Y98-W118 HydrophobicContact CD2-CZ3 4.22Å; Y98-W118 HydrophobicContact CE2-CE3 4.24Å; Y98-W118 HydrophobicContact CG-CE3 4.44Å; Y99-W118 AromaticContact CD1-CH2 3.87Å; Y99-W118 HydrophobicContact CD1-CH2 3.87Å; Y99-W118 AromaticContact CE1-CH2 3.6Å; Y99-W118 HydrophobicContact CE1-CH2 3.6Å; Y99-W118 HydrophobicContact CE1-CZ2 4.39Å; Y99-W118 HydrophobicContact CE1-CZ3 4.45Å; T112-W118 HydrophobicContact CG2-CG 3.94Å; I115-W118 HydrophobicContact CB-CB 4.11Å; I115-W118 HydrophobicContact CG2-CB 4.05Å; I115-W118 WeakPolarHBondContact O-CB 3.16Å; I115-W118 PolarHBondContact O-N 3.16Å; Q116-W118 PolarHBondContact O-N 3.31Å; W118-R326 PolarHBondContact O-NH1 3.4Å
119	W	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-91.2	-45.5	-177	-45.9	89	0	0	0	112.2	F80 V93 T112 L113 Q116 N121 P143 G144 V147 Y149	F80-W119 HydrophobicContact CB-CZ3 4.42Å; F80-W119 AromaticContact CD2-CE3 3.78Å; F80-W119 HydrophobicContact CD2-CE3 3.78Å; F80-W119 HydrophobicContact CD2-CZ3 4.15Å; F80-W119 HydrophobicContact CE2-CE3 4.09Å; F80-W119 HydrophobicContact CG-CE3 4.22Å; F80-W119 HydrophobicContact CG-CZ3 4.43Å; V93-W119 HydrophobicContact CG1-CE3 4.21Å; V93-W119 HydrophobicContact CG1-CH2 4.39Å; V93-W119 HydrophobicContact CG1-CZ3 3.93Å; V93-W119 HydrophobicContact CG2-CD2 4.43Å; V93-W119 HydrophobicContact CG2-CE3 3.83Å; V93-W119 HydrophobicContact CG2-CZ3 4.33Å; T112-W119 HydrophobicContact CG2-CZ2 4.4Å; T112-W119 PolarHBondContact O-NE1 3.12Å; L113-W119 HydrophobicContact CD2-CH2 4.06Å; L113-W119 HydrophobicContact CD2-CZ2 3.78Å; Q116-W119 PolarHBondContact O-N 2.72Å; W119-N121 VanDerWaalsContact C-N 3.28Å; W119-N121 PolarHBondContact O-N 3.49Å; W119-P143 HydrophobicContact CH2-CB 3.75Å; W119-P143 HydrophobicContact CZ3-CB 4.05Å; W119-G144 VanDerWaalsContact CE3-CA 3.42Å; W119-V147 HydrophobicContact CB-CG2 3.93Å; W119-V147 HydrophobicContact CG-CG2 3.99Å; W119-Y149 HydrophobicContact CB-CE1 3.73Å; W119-Y149 VanDerWaalsContact CB-OH 3.27Å; W119-Y149 WeakPolarHBondContact CB-OH 3.26Å
120	D	98.6	Very high	98.6	Very high	35 Å²	35	27 Å²	27	19%	0.187	16%	0.157	C	C	.	.			trans	-80	74.7	178.2	-169.9	15.6	0	0	0	110.4	Q116 Y149 Q150	Q116-D120 HydrophobicContact CG-CB 4.18Å; Q116-D120 WeakPolarHBondContact O-CB 3.2Å; Q116-D120 PolarHBondContact O-N 3.21Å; D120-Y149 HydrophobicContact CB-CD1 4.04Å; D120-Q150 PolarHBondContact OD1-N 3.33Å; D120-Q150 PolarHBondContact OD2-N 2.77Å
121	N	97.6	Very high	98.7	Very high	76 Å²	76	27 Å²	27	41%	0.406	16%	0.157	S	C	.	.	S	Bend	trans	-123.7	31.9	-177.6	-165.9	72.8	0	0	0	112	W119 R326	W119-N121 VanDerWaalsContact C-N 3.28Å; W119-N121 PolarHBondContact O-N 3.49Å; N121-R326 VanDerWaalsContact CB-NH2 3.34Å; N121-R326 PolarHBondContact OD1-NH2 2.86Å
122	G	97.7	Very high	98.7	Very high	55 Å²	55	30.6 Å²	30.6	57%	0.567	16%	0.162	S	C	*	.	S	Bend	trans	99.2	-7.8	176.7	0	0	0	0	0	115.4
123	S	98.7	Very high	98.7	Very high	2 Å²	2	34 Å²	34	1%	0.014	18%	0.178	C	C	.	.			trans	-99.7	141.4	169.5	-70.7	0	0	0	0	111.1	K86	K86-S123 WeakPolarHBondContact CD-OG 3.43Å; K86-S123 PolarHBondContact NZ-OG 2.84Å
124	V	98.9	Very high	98.6	Very high	15 Å²	15	37 Å²	37	9%	0.091	21%	0.21	C	C	.	.			trans	-109.9	117.5	-175.2	-179.7	0	0	0	0	108	I128 E400	V124-I128 HydrophobicContact CG1-CB 3.73Å; V124-I128 HydrophobicContact CG1-CG2 3.73Å; V124-E400 HydrophobicContact CB-CG 4.18Å; V124-E400 HydrophobicContact CG1-CG 4.5Å
125	P	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.			trans	-78.7	160.6	179.4	33.2	-36.8	0	0	0	111.9	F80 V83 T84 W127 I128 T129 Y149	F80-P125 HydrophobicContact CE2-CB 4.08Å; F80-P125 HydrophobicContact CE2-CG 4.39Å; F80-P125 HydrophobicContact CZ-CB 4.48Å; V83-P125 HydrophobicContact CB-CB 4.37Å; V83-P125 HydrophobicContact CG2-CB 4.03Å; V83-P125 CarbonylContact O-C 3.5Å; V83-P125 VanDerWaalsContact O-CA 3.31Å; V83-P125 WeakPolarHBondContact O-CA 3.49Å; T84-P125 HydrophobicContact CG2-CB 4.29Å; P125-W127 HydrophobicContact CB-CE3 3.6Å; P125-W127 HydrophobicContact CB-CZ3 3.63Å; P125-W127 HydrophobicContact CG-CE3 3.64Å; P125-W127 HydrophobicContact CG-CZ3 3.87Å; P125-W127 PolarHBondContact O-N 2.65Å; P125-I128 HydrophobicContact CG-CG1 4Å; P125-I128 PolarHBondContact O-N 2.8Å; P125-T129 PolarHBondContact O-N 3.08Å; P125-T129 VanDerWaalsContact O-N 3.17Å; P125-T129 PolarHBondContact O-OG1 3.25Å; P125-Y149 VanDerWaalsContact CD-CD1 3.49Å; P125-Y149 HydrophobicContact CG-CD1 3.99Å; P125-Y149 HydrophobicContact CG-CD2 3.83Å; P125-Y149 HydrophobicContact CG-CE1 3.8Å; P125-Y149 HydrophobicContact CG-CE2 3.65Å; P125-Y149 HydrophobicContact CG-CG 4Å
126	I	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-52.8	-35.3	-172.1	-167.3	166.5	0	0	0	114.5	V83 I128 T129 A130 L190 Y388 M391 L395 I397	V83-I126 HydrophobicContact CB-CG2 3.91Å; V83-I126 HydrophobicContact CG1-CG2 4.01Å; V83-I126 PolarHBondContact O-N 2.7Å; I126-I128 PolarHBondContact O-N 3.03Å; I126-T129 PolarHBondContact O-N 3.05Å; I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.32Å; I126-A130 PolarHBondContact O-N 3Å; I126-L190 HydrophobicContact CB-CD2 4.47Å; I126-L190 HydrophobicContact CD1-CD2 4.39Å; I126-L190 HydrophobicContact CG1-CD2 4Å; I126-L190 HydrophobicContact CG2-CD2 3.88Å; I126-Y388 HydrophobicContact CB-CD2 4.08Å; I126-Y388 HydrophobicContact CB-CE2 3.79Å; I126-Y388 HydrophobicContact CD1-CD2 4.4Å; I126-Y388 HydrophobicContact CD1-CE2 4.5Å; I126-Y388 HydrophobicContact CG1-CD2 4.49Å; I126-Y388 HydrophobicContact CG1-CE2 4.17Å; I126-M391 HydrophobicContact CD1-CB 3.34Å; I126-M391 HydrophobicContact CD1-CE 3.8Å; I126-M391 HydrophobicContact CD1-CG 4.33Å; I126-M391 HydrophobicContact CD1-SD 4.15Å; I126-M391 HydrophobicContact CG2-CE 4.47Å; I126-L395 HydrophobicContact CD1-CD1 4.1Å; I126-L395 HydrophobicContact CG1-CD1 4.43Å; I126-I397 HydrophobicContact CG1-CD1 4.45Å
127	W	98.9	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-40.5	177.9	-48.6	-73.2	0	0	0	111.6	V83 P125 Q131 A137 G138 Y142 V154 T192	V83-W127 HydrophobicContact CB-CH2 4.34Å; V83-W127 HydrophobicContact CG1-CH2 4.12Å; V83-W127 HydrophobicContact CG1-CZ2 4Å; V83-W127 HydrophobicContact CG2-CH2 3.96Å; V83-W127 HydrophobicContact CG2-CZ3 4.19Å; P125-W127 HydrophobicContact CB-CE3 3.6Å; P125-W127 HydrophobicContact CB-CZ3 3.63Å; P125-W127 HydrophobicContact CG-CE3 3.64Å; P125-W127 HydrophobicContact CG-CZ3 3.87Å; P125-W127 PolarHBondContact O-N 2.65Å; W127-Q131 WeakPolarHBondContact O-CB 3.37Å; W127-Q131 WeakPolarHBondContact O-CG 3.41Å; W127-Q131 PolarHBondContact O-N 2.77Å; W127-A137 HydrophobicContact CB-CB 3.76Å; W127-A137 HydrophobicContact CG-CB 4.33Å; W127-G138 PolarHBondContact NE1-O 2.9Å; W127-Y142 AromaticContact CH2-CD1 3.58Å; W127-Y142 HydrophobicContact CH2-CD1 3.58Å; W127-Y142 HydrophobicContact CH2-CE1 4.03Å; W127-Y142 HydrophobicContact CH2-CG 4.46Å; W127-Y142 AromaticContact CZ2-CD1 3.49Å; W127-Y142 HydrophobicContact CZ2-CD1 3.49Å; W127-Y142 VanDerWaalsContact CZ2-CD1 3.49Å; W127-Y142 HydrophobicContact CZ2-CE1 4.05Å; W127-Y142 AromaticContact CZ2-CG 3.99Å; W127-Y142 HydrophobicContact CZ2-CG 3.99Å; W127-V154 HydrophobicContact CB-CG1 4.18Å; W127-V154 HydrophobicContact CB-CG2 3.95Å; W127-V154 HydrophobicContact CD2-CG2 4.27Å; W127-V154 HydrophobicContact CE3-CG2 4.3Å; W127-V154 HydrophobicContact CG-CG1 4.22Å; W127-V154 HydrophobicContact CG-CG2 4.14Å; W127-T192 VanDerWaalsContact CE2-OG1 3.3Å; W127-T192 HydrophobicContact CZ2-CG2 3.9Å; W127-T192 VanDerWaalsContact CZ2-OG1 3.24Å; W127-T192 WeakPolarHBondContact CZ2-OG1 3.44Å; W127-T192 PolarHBondContact NE1-OG1 3.38Å
128	I	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-80.2	-39.7	-176.4	-52.9	-63.5	0	0	0	109.9	V124 P125 I126 A130 Q131 R132 Y149 V152 V154	V124-I128 HydrophobicContact CG1-CB 3.73Å; V124-I128 HydrophobicContact CG1-CG2 3.73Å; P125-I128 HydrophobicContact CG-CG1 4Å; P125-I128 PolarHBondContact O-N 2.8Å; I126-I128 PolarHBondContact O-N 3.03Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.92Å; I128-Q131 PolarHBondContact O-N 3.01Å; I128-R132 VanDerWaalsContact O-CG 3.28Å; I128-R132 WeakPolarHBondContact O-CG 3.38Å; I128-R132 PolarHBondContact O-N 2.98Å; I128-Y149 HydrophobicContact CD1-CD2 4.19Å; I128-Y149 HydrophobicContact CG1-CD2 3.83Å; I128-Y149 HydrophobicContact CG1-CG 4.14Å; I128-V152 HydrophobicContact CD1-CB 4.15Å; I128-V152 HydrophobicContact CD1-CG1 3.9Å; I128-V152 HydrophobicContact CG2-CB 4.25Å; I128-V152 HydrophobicContact CG2-CG1 4.37Å; I128-V154 HydrophobicContact CD1-CG2 4.47Å
129	T	98.9	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-46.2	171.7	-53.9	0	0	0	0	111.5	P125 I126 Q133 Y388 I397 V398 E400	P125-T129 PolarHBondContact O-N 3.08Å; P125-T129 VanDerWaalsContact O-N 3.17Å; P125-T129 PolarHBondContact O-OG1 3.25Å; I126-T129 PolarHBondContact O-N 3.05Å; T129-Q133 WeakPolarHBondContact O-CG 3.43Å; T129-Q133 PolarHBondContact O-NE2 2.9Å; T129-Y388 PolarHBondContact OG1-OH 3.45Å; T129-I397 HydrophobicContact CG2-CD1 4.31Å; T129-V398 WeakPolarHBondContact CG2-O 3.47Å; T129-E400 HydrophobicContact CG2-CG 3.97Å; T129-E400 VanDerWaalsContact OG1-CG 3.27Å; T129-E400 WeakPolarHBondContact OG1-CG 3.49Å
130	A	98.8	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-45.8	178	0	0	0	0	0	111.8	I126 I128 R132 Q133 G134 L135 I397	I126-A130 VanDerWaalsContact O-CB 3.24Å; I126-A130 WeakPolarHBondContact O-CB 3.32Å; I126-A130 PolarHBondContact O-N 3Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.92Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.22Å; A130-Q133 CarbonylContact O-C 3.45Å; A130-Q133 WeakPolarHBondContact O-CA 3.22Å; A130-Q133 PolarHBondContact O-N 2.95Å; A130-G134 PolarHBondContact O-N 3.14Å; A130-L135 HydrophobicContact CB-CB 4.09Å; A130-L135 HydrophobicContact CB-CD1 4.26Å; A130-L135 PolarHBondContact O-N 3.16Å; A130-L135 VanDerWaalsContact O-N 3.12Å; A130-I397 HydrophobicContact CB-CD1 3.91Å
131	Q	98.8	Very high	98.7	Very high	37 Å²	37	26.6 Å²	26.6	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-36.1	178.8	-79.4	174.7	-165.3	0	0	113.7	W127 I128 Q133 G134 L135 A137 A153 T155	W127-Q131 WeakPolarHBondContact O-CB 3.37Å; W127-Q131 WeakPolarHBondContact O-CG 3.41Å; W127-Q131 PolarHBondContact O-N 2.77Å; I128-Q131 PolarHBondContact O-N 3.01Å; Q131-Q133 PolarHBondContact O-N 3.48Å; Q131-G134 PolarHBondContact O-N 2.9Å; Q131-L135 VanDerWaalsContact CA-O 3.29Å; Q131-L135 WeakPolarHBondContact CA-O 3.22Å; Q131-L135 WeakPolarHBondContact CG-O 3.49Å; Q131-A137 HydrophobicContact CG-CB 4.22Å; Q131-A153 PolarHBondContact NE2-O 3.32Å; Q131-T155 PolarHBondContact OE1-OG1 2.92Å
132	R	98.8	Very high	98.7	Very high	116 Å²	116	23.2 Å²	23.2	44%	0.438	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.8	173.9	-74.1	171.6	178.1	-177	-2.1	113.2	I128 A130	I128-R132 VanDerWaalsContact O-CG 3.28Å; I128-R132 WeakPolarHBondContact O-CG 3.38Å; I128-R132 PolarHBondContact O-N 2.98Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.22Å
133	Q	98.6	Very high	98.8	Very high	72 Å²	72	20.6 Å²	20.6	34%	0.336	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	18	-178.5	-64	-179.5	68.6	0	0	112.5	T129 A130 Q131 I397 V398	T129-Q133 WeakPolarHBondContact O-CG 3.43Å; T129-Q133 PolarHBondContact O-NE2 2.9Å; A130-Q133 CarbonylContact O-C 3.45Å; A130-Q133 WeakPolarHBondContact O-CA 3.22Å; A130-Q133 PolarHBondContact O-N 2.95Å; Q131-Q133 PolarHBondContact O-N 3.48Å; Q133-I397 HydrophobicContact CB-CG2 4.15Å; Q133-V398 PolarHBondContact NE2-O 3.41Å
134	G	98.1	Very high	98.8	Very high	68 Å²	68	20.5 Å²	20.5	70%	0.701	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	3.4	171.4	0	0	0	0	0	115.4	A130 Q131	A130-G134 PolarHBondContact O-N 3.14Å; Q131-G134 PolarHBondContact O-N 2.9Å
135	L	98.5	Very high	98.8	Very high	18 Å²	18	19.8 Å²	19.8	9%	0.094	10%	0.103	C	C	.	.			trans	-89	164.6	176.3	-58.6	-172.8	0	0	0	112.1	A130 Q131 D189 L395 I397	A130-L135 HydrophobicContact CB-CB 4.09Å; A130-L135 HydrophobicContact CB-CD1 4.26Å; A130-L135 PolarHBondContact O-N 3.16Å; A130-L135 VanDerWaalsContact O-N 3.12Å; Q131-L135 VanDerWaalsContact CA-O 3.29Å; Q131-L135 WeakPolarHBondContact CA-O 3.22Å; Q131-L135 WeakPolarHBondContact CG-O 3.49Å; L135-D189 VanDerWaalsContact CA-OD2 3.3Å; L135-D189 WeakPolarHBondContact CA-OD2 3.35Å; L135-D189 HydrophobicContact CB-CB 4.12Å; L135-D189 WeakPolarHBondContact CB-OD2 3.19Å; L135-D189 HydrophobicContact CD1-CB 4.31Å; L135-D189 HydrophobicContact CD2-CB 4.24Å; L135-D189 HydrophobicContact CG-CB 4.46Å; L135-L395 HydrophobicContact CD1-CB 4.05Å; L135-L395 HydrophobicContact CD1-CD2 4.13Å; L135-I397 HydrophobicContact CD1-CG2 3.59Å; L135-I397 HydrophobicContact CG-CG2 4.27Å
136	R	98.8	Very high	98.8	Very high	88 Å²	88	22.8 Å²	22.8	33%	0.332	12%	0.119	S	C	.	.			trans	-113	129.2	175.7	-68.4	166.1	59.6	79.9	-1.3	109.7	T155 E186 D187 L188 D189 L190	R136-T155 HydrophobicContact CB-CG2 4.44Å; R136-E186 VanDerWaalsContact CZ-O 3.31Å; R136-E186 PolarHBondContact NE-O 3.29Å; R136-E186 PolarHBondContact NH2-O 2.82Å; R136-D187 VanDerWaalsContact CD-O 3.24Å; R136-D187 WeakPolarHBondContact CD-O 3.36Å; R136-D187 PolarHBondContact NE-O 3.32Å; R136-L188 HydrophobicContact CB-CD1 4.42Å; R136-L188 HydrophobicContact CB-CG 4.19Å; R136-D189 PolarHBondContact N-OD2 3.1Å; R136-D189 PolarHBondContact O-N 2.87Å; R136-L190 PolarHBondContact O-N 3.01Å
137	A	98.9	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.8	-172	0	0	0	0	0	112.7	W127 Q131 V154 T155 R156 L190	W127-A137 HydrophobicContact CB-CB 3.76Å; W127-A137 HydrophobicContact CG-CB 4.33Å; Q131-A137 HydrophobicContact CG-CB 4.22Å; A137-V154 WeakPolarHBondContact O-CG1 3.43Å; A137-T155 PolarHBondContact N-OG1 2.99Å; A137-T155 WeakPolarHBondContact O-CA 3.39Å; A137-T155 WeakPolarHBondContact O-CB 3.28Å; A137-T155 PolarHBondContact O-N 3.44Å; A137-R156 PolarHBondContact O-N 3.38Å; A137-L190 CarbonylContact C-O 3.6Å; A137-L190 WeakPolarHBondContact CA-O 3.29Å; A137-L190 HydrophobicContact CB-CB 4.26Å; A137-L190 HydrophobicContact CB-CD2 4.24Å; A137-L190 HydrophobicContact CB-CG 4.48Å
138	G	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.9	-179.7	0	0	0	0	0	112.3	W127 R156 L188 L190 V191 T192	W127-G138 PolarHBondContact NE1-O 2.9Å; G138-R156 CarbonylContact C-O 3.49Å; G138-R156 VanDerWaalsContact CA-O 3.26Å; G138-R156 WeakPolarHBondContact CA-O 3.41Å; G138-L188 VanDerWaalsContact CA-CD2 3.43Å; G138-L190 PolarHBondContact N-O 3Å; G138-V191 WeakPolarHBondContact O-CA 3.35Å; G138-T192 PolarHBondContact O-N 3.08Å; G138-T192 PolarHBondContact O-OG1 3.17Å
139	S	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.8	171	171.3	0	0	0	0	110.2	Y142 G145 R156 S157 R158	S139-Y142 WeakPolarHBondContact OG-CB 3.48Å; S139-G145 WeakPolarHBondContact OG-CA 3.29Å; S139-R156 PolarHBondContact N-O 2.73Å; S139-S157 CarbonylContact O-C 3.52Å; S139-S157 VanDerWaalsContact O-CA 3.29Å; S139-S157 WeakPolarHBondContact O-CA 3.42Å; S139-R158 PolarHBondContact O-N 2.8Å
140	F	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.3	175.9	-156.5	-61.9	0	0	0	109.4	Y142 R158 N175 T178 V179 W182 T192 L193 Y194	F140-Y142 PolarHBondContact O-N 2.69Å; F140-R158 HydrophobicContact CD1-CB 4.32Å; F140-R158 HydrophobicContact CD2-CB 4.13Å; F140-R158 HydrophobicContact CD2-CG 4.13Å; F140-R158 HydrophobicContact CE1-CB 4.35Å; F140-R158 HydrophobicContact CE2-CB 4.17Å; F140-R158 HydrophobicContact CE2-CG 3.97Å; F140-R158 HydrophobicContact CG-CB 4.2Å; F140-R158 HydrophobicContact CZ-CB 4.27Å; F140-R158 HydrophobicContact CZ-CG 4.37Å; F140-N175 HydrophobicContact CD1-CB 4.35Å; F140-N175 HydrophobicContact CE1-CB 3.71Å; F140-N175 HydrophobicContact CE2-CB 4.26Å; F140-N175 HydrophobicContact CZ-CB 3.67Å; F140-N175 WeakPolarHBondContact CZ-OD1 3.41Å; F140-T178 HydrophobicContact CE2-CG2 3.93Å; F140-V179 HydrophobicContact CB-CG2 4.13Å; F140-V179 HydrophobicContact CD2-CG2 3.88Å; F140-V179 HydrophobicContact CG-CG2 4.25Å; F140-W182 HydrophobicContact CB-CH2 4.24Å; F140-W182 HydrophobicContact CB-CZ3 4.03Å; F140-W182 AromaticContact CD2-CH2 3.6Å; F140-W182 HydrophobicContact CD2-CH2 3.6Å; F140-W182 HydrophobicContact CD2-CZ2 4.14Å; F140-W182 AromaticContact CD2-CZ3 3.94Å; F140-W182 HydrophobicContact CD2-CZ3 3.94Å; F140-W182 HydrophobicContact CE2-CH2 4.39Å; F140-W182 HydrophobicContact CG-CH2 4.31Å; F140-W182 HydrophobicContact CG-CZ3 4.48Å; F140-T192 PolarHBondContact N-O 3.17Å; F140-L193 HydrophobicContact CB-CD1 3.8Å; F140-L193 HydrophobicContact CD1-CD1 3.91Å; F140-L193 HydrophobicContact CG-CD1 3.94Å; F140-Y194 PolarHBondContact O-N 2.97Å
141	F	98.8	Very high	98.7	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	19%	0.19	C	C	.	.	S	Bend	trans	60	-2.4	-177.2	-58	-13.8	0	0	0	115.6	R158 K159 E160 H164 Y194	F141-R158 WeakPolarHBondContact CA-O 3.45Å; F141-R158 HydrophobicContact CD1-CB 4.25Å; F141-R158 HydrophobicContact CE1-CB 4.18Å; F141-R158 PolarHBondContact N-O 2.87Å; F141-K159 VanDerWaalsContact CE1-C 3.48Å; F141-E160 HydrophobicContact CD1-CB 3.95Å; F141-E160 VanDerWaalsContact CD1-N 3.34Å; F141-E160 HydrophobicContact CD2-CB 4.14Å; F141-E160 HydrophobicContact CE1-CB 3.77Å; F141-E160 VanDerWaalsContact CE1-N 3.31Å; F141-E160 HydrophobicContact CE2-CB 3.94Å; F141-E160 HydrophobicContact CG-CB 4.14Å; F141-E160 HydrophobicContact CZ-CB 3.75Å; F141-H164 AromaticContact CE2-CE1 3.59Å; F141-H164 AromaticContact CE2-NE2 3.66Å; F141-Y194 HydrophobicContact CB-CD1 3.87Å
142	Y	98.9	Very high	98.7	Very high	5 Å²	5	34 Å²	34	2%	0.02	20%	0.195	C	C	.	.			trans	-65.5	133.5	-175.4	-159.4	-78.5	0	0	0	112.1	L35 H79 L82 V83 W127 S139 F140 G144 G145 T192	L35-Y142 HydrophobicContact CD2-CE2 3.96Å; H79-Y142 HydrophobicContact CB-CE1 3.95Å; H79-Y142 AromaticContact CD2-CE2 3.69Å; H79-Y142 AromaticContact CD2-CZ 3.54Å; H79-Y142 PolarHBondContact O-OH 3.15Å; L82-Y142 WeakPolarHBondContact CB-OH 3.3Å; V83-Y142 HydrophobicContact CG1-CD1 4.45Å; V83-Y142 HydrophobicContact CG1-CE1 3.58Å; V83-Y142 HydrophobicContact CG2-CE1 4.28Å; W127-Y142 AromaticContact CH2-CD1 3.58Å; W127-Y142 HydrophobicContact CH2-CD1 3.58Å; W127-Y142 HydrophobicContact CH2-CE1 4.03Å; W127-Y142 HydrophobicContact CH2-CG 4.46Å; W127-Y142 AromaticContact CZ2-CD1 3.49Å; W127-Y142 HydrophobicContact CZ2-CD1 3.49Å; W127-Y142 VanDerWaalsContact CZ2-CD1 3.49Å; W127-Y142 HydrophobicContact CZ2-CE1 4.05Å; W127-Y142 AromaticContact CZ2-CG 3.99Å; W127-Y142 HydrophobicContact CZ2-CG 3.99Å; S139-Y142 WeakPolarHBondContact OG-CB 3.48Å; F140-Y142 PolarHBondContact O-N 2.69Å; Y142-G144 PolarHBondContact O-N 3.25Å; Y142-G145 PolarHBondContact O-N 3.42Å; Y142-T192 HydrophobicContact CD2-CG2 4.49Å
143	P	98.8	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127	-179.7	-28.4	35.4	0	0	0	113.5	H79 L113 W119 G145	H79-P143 HydrophobicContact CB-CB 4.01Å; H79-P143 HydrophobicContact CB-CG 3.84Å; L113-P143 HydrophobicContact CD2-CB 4.16Å; W119-P143 HydrophobicContact CH2-CB 3.75Å; W119-P143 HydrophobicContact CZ3-CB 4.05Å; P143-G145 VanDerWaalsContact C-N 3.31Å; P143-G145 PolarHBondContact O-N 3.45Å
144	G	98.6	Very high	98.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.2	-178.3	0	0	0	0	0	115.3	W119 Y142 N146 V147 Y149	W119-G144 VanDerWaalsContact CE3-CA 3.42Å; Y142-G144 PolarHBondContact O-N 3.25Å; G144-N146 VanDerWaalsContact C-N 3.33Å; G144-N146 PolarHBondContact O-N 2.97Å; G144-V147 WeakPolarHBondContact O-CG2 2.96Å; G144-Y149 WeakPolarHBondContact CA-OH 3.47Å; G144-Y149 VanDerWaalsContact O-CE2 3.3Å; G144-Y149 WeakPolarHBondContact O-CE2 3.43Å; G144-Y149 PolarHBondContact O-OH 3.37Å
145	G	98.6	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.4	-179.3	0	0	0	0	0	115.6	S139 Y142 P143 S157	S139-G145 WeakPolarHBondContact OG-CA 3.29Å; Y142-G145 PolarHBondContact O-N 3.42Å; P143-G145 VanDerWaalsContact C-N 3.31Å; P143-G145 PolarHBondContact O-N 3.45Å; G145-S157 WeakPolarHBondContact O-CB 3.47Å; G145-S157 PolarHBondContact O-OG 3.28Å
146	N	98.4	Very high	98.7	Very high	63 Å²	63	30.4 Å²	30.4	34%	0.337	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	24.3	-179.8	-164.4	-119	0	0	0	113.7	G144 S157 K159	G144-N146 VanDerWaalsContact C-N 3.33Å; G144-N146 PolarHBondContact O-N 2.97Å; N146-S157 WeakPolarHBondContact CA-OG 3.29Å; N146-S157 PolarHBondContact ND2-OG 2.93Å; N146-K159 HydrophobicContact CB-CB 3.98Å; N146-K159 HydrophobicContact CB-CD 4.23Å; N146-K159 WeakPolarHBondContact OD1-CE 3.47Å
147	V	98.7	Very high	98.7	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.085	17%	0.171	C	C	.	.	S	Bend	trans	-128.7	170.2	172.2	-61.4	0	0	0	0	110.1	L113 Q116 W119 G144 Y149	L113-V147 WeakPolarHBondContact O-CG1 2.99Å; Q116-V147 HydrophobicContact CB-CB 4.24Å; Q116-V147 HydrophobicContact CB-CG1 4.41Å; Q116-V147 HydrophobicContact CG-CB 4.28Å; W119-V147 HydrophobicContact CB-CG2 3.93Å; W119-V147 HydrophobicContact CG-CG2 3.99Å; G144-V147 WeakPolarHBondContact O-CG2 2.96Å; V147-Y149 HydrophobicContact CG2-CE2 3.76Å
148	T	98.8	Very high	98.7	Very high	41 Å²	41	33.7 Å²	33.7	25%	0.252	19%	0.192	S	C	.	.			trans	-94.8	150.8	173.6	59.2	0	0	0	0	111	Q116 V152 A153	Q116-T148 VanDerWaalsContact CG-O 3.23Å; Q116-T148 WeakPolarHBondContact CG-O 3.35Å; Q116-T148 PolarHBondContact NE2-OG1 3.37Å; Q116-T148 PolarHBondContact OE1-OG1 2.72Å; Q116-T148 VanDerWaalsContact OE1-OG1 3.13Å; T148-V152 CarbonylContact C-O 3.59Å; T148-V152 VanDerWaalsContact CA-O 3.25Å; T148-V152 WeakPolarHBondContact CA-O 3.41Å; T148-V152 WeakPolarHBondContact CB-O 3.36Å; T148-A153 HydrophobicContact CG2-CB 3.96Å
149	Y	98.9	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-122.4	117.4	174.4	-63	-96.7	0	0	0	108.5	F80 W119 D120 P125 I128 G144 V147 G151 V152	F80-Y149 HydrophobicContact CE2-CE1 4.05Å; F80-Y149 WeakPolarHBondContact CE2-OH 3.17Å; F80-Y149 AromaticContact CZ-CE1 3.81Å; F80-Y149 HydrophobicContact CZ-CE1 3.81Å; W119-Y149 HydrophobicContact CB-CE1 3.73Å; W119-Y149 VanDerWaalsContact CB-OH 3.27Å; W119-Y149 WeakPolarHBondContact CB-OH 3.26Å; D120-Y149 HydrophobicContact CB-CD1 4.04Å; P125-Y149 VanDerWaalsContact CD-CD1 3.49Å; P125-Y149 HydrophobicContact CG-CD1 3.99Å; P125-Y149 HydrophobicContact CG-CD2 3.83Å; P125-Y149 HydrophobicContact CG-CE1 3.8Å; P125-Y149 HydrophobicContact CG-CE2 3.65Å; P125-Y149 HydrophobicContact CG-CG 4Å; I128-Y149 HydrophobicContact CD1-CD2 4.19Å; I128-Y149 HydrophobicContact CG1-CD2 3.83Å; I128-Y149 HydrophobicContact CG1-CG 4.14Å; G144-Y149 WeakPolarHBondContact CA-OH 3.47Å; G144-Y149 VanDerWaalsContact O-CE2 3.3Å; G144-Y149 WeakPolarHBondContact O-CE2 3.43Å; G144-Y149 PolarHBondContact O-OH 3.37Å; V147-Y149 HydrophobicContact CG2-CE2 3.76Å; Y149-G151 PolarHBondContact O-N 3.33Å; Y149-G151 VanDerWaalsContact O-N 3.16Å; Y149-V152 PolarHBondContact N-O 3.42Å; Y149-V152 PolarHBondContact O-N 3.48Å
150	Q	98.3	Very high	98.5	Very high	106 Å²	106	37.6 Å²	37.6	50%	0.495	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.1	-176.9	-58.6	170.8	-11.3	0	0	111.7	D120 V152	D120-Q150 PolarHBondContact OD1-N 3.33Å; D120-Q150 PolarHBondContact OD2-N 2.77Å; Q150-V152 VanDerWaalsContact C-N 3.3Å; Q150-V152 PolarHBondContact O-N 3.44Å
151	G	98.2	Very high	98.4	Very high	64 Å²	64	39.7 Å²	39.7	66%	0.66	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-5.6	-179.4	0	0	0	0	0	115.8	Y149	Y149-G151 PolarHBondContact O-N 3.33Å; Y149-G151 VanDerWaalsContact O-N 3.16Å
152	V	98.7	Very high	98.1	Very high	48 Å²	48	46.4 Å²	46.4	29%	0.291	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-94.3	128.6	180	-174.6	0	0	0	0	110.3	I128 T148 Y149 Q150	I128-V152 HydrophobicContact CD1-CB 4.15Å; I128-V152 HydrophobicContact CD1-CG1 3.9Å; I128-V152 HydrophobicContact CG2-CB 4.25Å; I128-V152 HydrophobicContact CG2-CG1 4.37Å; T148-V152 CarbonylContact C-O 3.59Å; T148-V152 VanDerWaalsContact CA-O 3.25Å; T148-V152 WeakPolarHBondContact CA-O 3.41Å; T148-V152 WeakPolarHBondContact CB-O 3.36Å; Y149-V152 PolarHBondContact N-O 3.42Å; Y149-V152 PolarHBondContact O-N 3.48Å; Q150-V152 VanDerWaalsContact C-N 3.3Å; Q150-V152 PolarHBondContact O-N 3.44Å
153	A	98.8	Very high	97.8	Very high	57 Å²	57	50.8 Å²	50.8	47%	0.471	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-93.5	153.7	173.3	0	0	0	0	0	111.4	Q131 T148	Q131-A153 PolarHBondContact NE2-O 3.32Å; T148-A153 HydrophobicContact CG2-CB 3.96Å
154	V	98.8	Very high	97.7	Very high	14 Å²	14	52.5 Å²	52.5	9%	0.085	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65.8	139.2	168.2	-174.9	0	0	0	0	109.4	W127 I128 A137 R156	W127-V154 HydrophobicContact CB-CG1 4.18Å; W127-V154 HydrophobicContact CB-CG2 3.95Å; W127-V154 HydrophobicContact CD2-CG2 4.27Å; W127-V154 HydrophobicContact CE3-CG2 4.3Å; W127-V154 HydrophobicContact CG-CG1 4.22Å; W127-V154 HydrophobicContact CG-CG2 4.14Å; I128-V154 HydrophobicContact CD1-CG2 4.47Å; A137-V154 WeakPolarHBondContact O-CG1 3.43Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 VanDerWaalsContact CG1-O 3.28Å; V154-R156 WeakPolarHBondContact CG1-O 3.49Å; V154-R156 PolarHBondContact O-N 3.12Å
155	T	98.8	Very high	97.5	Very high	35 Å²	35	56.3 Å²	56.3	22%	0.215	33%	0.331	C	S	.	.	S	Bend	trans	-58.3	-43.1	-172.8	-54.2	0	0	0	0	111.5	Q131 R136 A137	Q131-T155 PolarHBondContact OE1-OG1 2.92Å; R136-T155 HydrophobicContact CB-CG2 4.44Å; A137-T155 PolarHBondContact N-OG1 2.99Å; A137-T155 WeakPolarHBondContact O-CA 3.39Å; A137-T155 WeakPolarHBondContact O-CB 3.28Å; A137-T155 PolarHBondContact O-N 3.44Å
156	R	98.8	Very high	97.4	Very high	91 Å²	91	58.3 Å²	58.3	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	169.2	-68.4	-65.2	175.6	-94.8	2.1	110.1	A137 G138 S139 V154 W182 E186 L188	A137-R156 PolarHBondContact O-N 3.38Å; G138-R156 CarbonylContact C-O 3.49Å; G138-R156 VanDerWaalsContact CA-O 3.26Å; G138-R156 WeakPolarHBondContact CA-O 3.41Å; S139-R156 PolarHBondContact N-O 2.73Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 VanDerWaalsContact CG1-O 3.28Å; V154-R156 WeakPolarHBondContact CG1-O 3.49Å; V154-R156 PolarHBondContact O-N 3.12Å; R156-W182 HydrophobicContact CB-CD2 3.95Å; R156-W182 HydrophobicContact CB-CE3 4.03Å; R156-W182 HydrophobicContact CB-CH2 3.93Å; R156-W182 HydrophobicContact CB-CZ2 3.84Å; R156-W182 HydrophobicContact CB-CZ3 4.02Å; R156-W182 HydrophobicContact CG-CD2 4.27Å; R156-W182 HydrophobicContact CG-CG 4.49Å; R156-E186 IonicContact CZ-OE2 2.98Å; R156-E186 IonicContact NE-OE1 3.47Å; R156-E186 PolarHBondContact NE-OE1 2.91Å; R156-E186 IonicContact NE-OE2 2.64Å; R156-E186 PolarHBondContact NE-OE2 3.3Å; R156-E186 IonicContact NH2-OE2 2.61Å; R156-E186 PolarHBondContact NH2-OE2 3.24Å; R156-L188 HydrophobicContact CB-CD2 4.03Å; R156-L188 HydrophobicContact CG-CD1 4.15Å; R156-L188 HydrophobicContact CG-CD2 4.11Å
157	S	98.8	Very high	97.3	Very high	41 Å²	41	59.9 Å²	59.9	29%	0.287	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.2	-179.2	-174.1	0	0	0	0	110.3	S139 G145 N146	S139-S157 CarbonylContact O-C 3.52Å; S139-S157 VanDerWaalsContact O-CA 3.29Å; S139-S157 WeakPolarHBondContact O-CA 3.42Å; G145-S157 WeakPolarHBondContact O-CB 3.47Å; G145-S157 PolarHBondContact O-OG 3.28Å; N146-S157 WeakPolarHBondContact CA-OG 3.29Å; N146-S157 PolarHBondContact ND2-OG 2.93Å
158	R	98.6	Very high	97.3	Very high	116 Å²	116	62.2 Å²	62.2	44%	0.438	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.7	170.4	-69.6	-74	-69.4	-90.6	-6.2	108.4	S139 F140 F141 W182	S139-R158 PolarHBondContact O-N 2.8Å; F140-R158 HydrophobicContact CD1-CB 4.32Å; F140-R158 HydrophobicContact CD2-CB 4.13Å; F140-R158 HydrophobicContact CD2-CG 4.13Å; F140-R158 HydrophobicContact CE1-CB 4.35Å; F140-R158 HydrophobicContact CE2-CB 4.17Å; F140-R158 HydrophobicContact CE2-CG 3.97Å; F140-R158 HydrophobicContact CG-CB 4.2Å; F140-R158 HydrophobicContact CZ-CB 4.27Å; F140-R158 HydrophobicContact CZ-CG 4.37Å; F141-R158 WeakPolarHBondContact CA-O 3.45Å; F141-R158 HydrophobicContact CD1-CB 4.25Å; F141-R158 HydrophobicContact CE1-CB 4.18Å; F141-R158 PolarHBondContact N-O 2.87Å; R158-W182 HydrophobicContact CB-CH2 4.32Å; R158-W182 HydrophobicContact CG-CH2 3.73Å; R158-W182 HydrophobicContact CG-CZ2 3.72Å
159	K	98.1	Very high	97.3	Very high	75 Å²	75	62 Å²	62	33%	0.326	35%	0.351	S	S	.	.			trans	-126.9	141.5	170.2	-173.9	178.6	68.3	-172.9	0	108.5	L113 F141 N146	L113-K159 HydrophobicContact CB-CD 3.97Å; L113-K159 HydrophobicContact CD1-CD 4.37Å; L113-K159 HydrophobicContact CD1-CG 4.47Å; F141-K159 VanDerWaalsContact CE1-C 3.48Å; N146-K159 HydrophobicContact CB-CB 3.98Å; N146-K159 HydrophobicContact CB-CD 4.23Å; N146-K159 WeakPolarHBondContact OD1-CE 3.47Å
160	E	95.8	Very high	97.3	Very high	8 Å²	8	67.2 Å²	67.2	4%	0.037	38%	0.383	C	S	.	.			trans	-73.6	163.5	179.1	75.6	-64.7	155.9	0	0	112.7	H110 L113 F141 H164 Y166	H110-E160 IonicContact CD2-OE1 3.2Å; H110-E160 PolarHBondContact CD2-OE1 2.75Å; H110-E160 PolarHBondContact NE2-O 2.96Å; H110-E160 IonicContact NE2-OE1 3.73Å; L113-E160 VanDerWaalsContact CD1-OE1 3.23Å; L113-E160 WeakPolarHBondContact CD1-OE1 3.38Å; F141-E160 HydrophobicContact CD1-CB 3.95Å; F141-E160 VanDerWaalsContact CD1-N 3.34Å; F141-E160 HydrophobicContact CD2-CB 4.14Å; F141-E160 HydrophobicContact CE1-CB 3.77Å; F141-E160 VanDerWaalsContact CE1-N 3.31Å; F141-E160 HydrophobicContact CE2-CB 3.94Å; F141-E160 HydrophobicContact CG-CB 4.14Å; F141-E160 HydrophobicContact CZ-CB 3.75Å; E160-H164 HydrophobicContact CB-CB 3.81Å; E160-H164 HydrophobicContact CG-CB 3.81Å; E160-Y166 HydrophobicContact CG-CE1 4.14Å; E160-Y166 VanDerWaalsContact CG-OH 3.3Å; E160-Y166 WeakPolarHBondContact CG-OH 3.17Å; E160-Y166 PolarHBondContact OE1-OH 2.88Å
161	G	96.3	Very high	97.3	Very high	44 Å²	44	64.8 Å²	64.8	45%	0.454	37%	0.371	S	S	.	.			trans	-75.9	162.1	175.6	0	0	0	0	0	112.8	H110 A163 H164	H110-G161 PolarHBondContact NE2-O 2.91Å; G161-A163 PolarHBondContact O-N 3.2Å; G161-A163 VanDerWaalsContact O-N 3.17Å; G161-H164 VanDerWaalsContact O-CB 3.23Å; G161-H164 WeakPolarHBondContact O-CB 3.36Å; G161-H164 PolarHBondContact O-N 3.22Å; G161-H164 VanDerWaalsContact O-N 3.15Å
162	I	93.4	Very high	97.3	Very high	152 Å²	152	61.9 Å²	61.9	78%	0.779	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28	-176.7	-167.6	168.5	0	0	0	114.5
163	A	91.6	Very high	97.4	Very high	97 Å²	97	63.3 Å²	63.3	80%	0.802	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	36	179.2	0	0	0	0	0	111.2	G161	G161-A163 PolarHBondContact O-N 3.2Å; G161-A163 VanDerWaalsContact O-N 3.17Å
164	H	96.3	Very high	97.4	Very high	36 Å²	36	62.8 Å²	62.8	17%	0.167	34%	0.337	C	S	.	.			trans	-62.4	143.1	-177.2	178.9	78.4	0	0	0	112.2	F141 E160 G161 Y166 E171	F141-H164 AromaticContact CE2-CE1 3.59Å; F141-H164 AromaticContact CE2-NE2 3.66Å; E160-H164 HydrophobicContact CB-CB 3.81Å; E160-H164 HydrophobicContact CG-CB 3.81Å; G161-H164 VanDerWaalsContact O-CB 3.23Å; G161-H164 WeakPolarHBondContact O-CB 3.36Å; G161-H164 PolarHBondContact O-N 3.22Å; G161-H164 VanDerWaalsContact O-N 3.15Å; H164-Y166 AromaticContact CD2-CD1 3.4Å; H164-Y166 WeakPolarHBondContact CD2-CD1 3.43Å; H164-Y166 AromaticContact CD2-CE1 3.45Å; H164-Y166 VanDerWaalsContact CD2-CE1 3.45Å; H164-Y166 WeakPolarHBondContact CD2-CE1 3.5Å; H164-Y166 AromaticContact CD2-CG 3.73Å; H164-Y166 AromaticContact CD2-CZ 3.84Å; H164-Y166 AromaticContact NE2-CD1 3.84Å; H164-E171 IonicContact CE1-OE1 2.69Å; H164-E171 PolarHBondContact CE1-OE1 3.18Å; H164-E171 IonicContact CE1-OE2 3.91Å; H164-E171 PolarHBondContact CE1-OE2 3.23Å; H164-E171 VanDerWaalsContact CE1-OE2 3.26Å; H164-E171 IonicContact ND1-OE1 2.76Å; H164-E171 IonicContact ND1-OE2 2.8Å
165	N	96	Very high	97.3	Very high	81 Å²	81	62.5 Å²	62.5	43%	0.433	34%	0.335	S	S	.	.			trans	-96.4	92.2	178.9	177.2	20	0	0	0	110	K167 N168	N165-K167 PolarHBondContact O-N 3.12Å; N165-K167 WeakPolarHBondContact OD1-CG 3.34Å; N165-N168 PolarHBondContact O-N 3.48Å
166	Y	95.7	Very high	97.4	Very high	42 Å²	42	60.9 Å²	60.9	17%	0.165	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12	-173.7	-71.3	-76.9	0	0	0	115.8	E160 H164 W172 Y194	E160-Y166 HydrophobicContact CG-CE1 4.14Å; E160-Y166 VanDerWaalsContact CG-OH 3.3Å; E160-Y166 WeakPolarHBondContact CG-OH 3.17Å; E160-Y166 PolarHBondContact OE1-OH 2.88Å; H164-Y166 AromaticContact CD2-CD1 3.4Å; H164-Y166 WeakPolarHBondContact CD2-CD1 3.43Å; H164-Y166 AromaticContact CD2-CE1 3.45Å; H164-Y166 VanDerWaalsContact CD2-CE1 3.45Å; H164-Y166 WeakPolarHBondContact CD2-CE1 3.5Å; H164-Y166 AromaticContact CD2-CG 3.73Å; H164-Y166 AromaticContact CD2-CZ 3.84Å; H164-Y166 AromaticContact NE2-CD1 3.84Å; Y166-W172 WeakPolarHBondContact O-CZ2 3.21Å; Y166-W172 PolarHBondContact O-NE1 2.9Å; Y166-Y194 HydrophobicContact CD1-CE1 4.35Å; Y166-Y194 AromaticContact CE1-CE1 3.82Å; Y166-Y194 HydrophobicContact CE1-CE1 3.82Å
167	K	96.8	Very high	97.4	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.417	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.7	-176.1	57.2	176.3	-177.9	178.4	0	116.1	N165 E169 E197 M215 Q218	N165-K167 PolarHBondContact O-N 3.12Å; N165-K167 WeakPolarHBondContact OD1-CG 3.34Å; K167-E169 PolarHBondContact O-N 3Å; K167-E169 VanDerWaalsContact O-N 3.14Å; K167-E197 HydrophobicContact CB-CG 4.04Å; K167-E197 WeakPolarHBondContact CB-OE1 3.36Å; K167-M215 HydrophobicContact CB-CE 3.47Å; K167-M215 VanDerWaalsContact CB-CE 3.47Å; K167-M215 HydrophobicContact CB-SD 4.36Å; K167-M215 HydrophobicContact CD-CE 4.17Å; K167-M215 HydrophobicContact CG-CE 4.49Å; K167-Q218 PolarHBondContact O-NE2 3.46Å
168	N	98.4	Very high	97.4	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.332	32%	0.323	S	S	.	.			trans	-76.6	99.6	-178.6	-175.6	-1.8	0	0	0	111.6	N165 T170 E171 W172	N165-N168 PolarHBondContact O-N 3.48Å; N168-T170 PolarHBondContact O-N 3.46Å; N168-T170 WeakPolarHBondContact OD1-CB 3.48Å; N168-T170 PolarHBondContact OD1-N 3.44Å; N168-E171 HydrophobicContact CB-CB 3.93Å; N168-E171 WeakPolarHBondContact O-CB 3.27Å; N168-E171 PolarHBondContact O-N 3.12Å; N168-W172 VanDerWaalsContact O-CD1 3.23Å; N168-W172 PolarHBondContact O-N 2.89Å
169	E	98.6	Very high	97.4	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-34.2	-178.9	-163	-177.8	154.1	0	0	112.9	K167 E171 W172 R173 Q218 R221	K167-E169 PolarHBondContact O-N 3Å; K167-E169 VanDerWaalsContact O-N 3.14Å; E169-E171 VanDerWaalsContact C-N 3.32Å; E169-E171 PolarHBondContact O-N 3.36Å; E169-W172 WeakPolarHBondContact O-CB 3.25Å; E169-W172 PolarHBondContact O-N 3.36Å; E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NE 3.14Å; E169-R173 PolarHBondContact OE1-NE 3.01Å; E169-R173 IonicContact OE1-NH2 3.85Å; E169-R173 PolarHBondContact OE1-NH2 3.24Å; E169-Q218 HydrophobicContact CB-CG 4.09Å; E169-Q218 HydrophobicContact CG-CG 3.89Å; E169-R221 IonicContact OE1-NE 2.74Å; E169-R221 IonicContact OE2-CZ 3.98Å; E169-R221 IonicContact OE2-NE 2.73Å; E169-R221 PolarHBondContact OE2-NE 2.89Å; E169-R221 IonicContact OE2-NH2 2.68Å; E169-R221 PolarHBondContact OE2-NH2 2.8Å
170	T	98.6	Very high	97.4	Very high	110 Å²	110	50.8 Å²	50.8	68%	0.675	29%	0.288	S	S	*	.	H	α-helix	trans	-63.8	-40.5	176.1	-56.1	0	0	0	0	111.3	N168 A174	N168-T170 PolarHBondContact O-N 3.46Å; N168-T170 WeakPolarHBondContact OD1-CB 3.48Å; N168-T170 PolarHBondContact OD1-N 3.44Å; T170-A174 PolarHBondContact O-N 3.41Å; T170-A174 VanDerWaalsContact O-N 3.13Å
171	E	98.7	Very high	97.6	Very high	54 Å²	54	51.6 Å²	51.6	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-36.3	175.3	-174.1	175.1	-159.6	0	0	111.2	H164 N168 E169 R173 A174 N175	H164-E171 IonicContact CE1-OE1 2.69Å; H164-E171 PolarHBondContact CE1-OE1 3.18Å; H164-E171 IonicContact CE1-OE2 3.91Å; H164-E171 PolarHBondContact CE1-OE2 3.23Å; H164-E171 VanDerWaalsContact CE1-OE2 3.26Å; H164-E171 IonicContact ND1-OE1 2.76Å; H164-E171 IonicContact ND1-OE2 2.8Å; N168-E171 HydrophobicContact CB-CB 3.93Å; N168-E171 WeakPolarHBondContact O-CB 3.27Å; N168-E171 PolarHBondContact O-N 3.12Å; E169-E171 VanDerWaalsContact C-N 3.32Å; E169-E171 PolarHBondContact O-N 3.36Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 3.29Å; E171-A174 PolarHBondContact O-N 2.79Å; E171-N175 WeakPolarHBondContact O-CB 3.36Å; E171-N175 PolarHBondContact O-N 3.45Å; E171-N175 PolarHBondContact O-ND2 2.75Å; E171-N175 PolarHBondContact O-OD1 3.45Å
172	W	98.9	Very high	97.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-45.4	175.3	-67.6	6.1	0	0	0	112.1	F38 Y166 N168 E169 N175 I176 F195 E197 M215 Q218 V219 T222	F38-W172 HydrophobicContact CE1-CZ3 4.31Å; Y166-W172 WeakPolarHBondContact O-CZ2 3.21Å; Y166-W172 PolarHBondContact O-NE1 2.9Å; N168-W172 VanDerWaalsContact O-CD1 3.23Å; N168-W172 PolarHBondContact O-N 2.89Å; E169-W172 WeakPolarHBondContact O-CB 3.25Å; E169-W172 PolarHBondContact O-N 3.36Å; W172-N175 PolarHBondContact O-N 3.34Å; W172-I176 WeakPolarHBondContact O-CG1 3.47Å; W172-I176 PolarHBondContact O-N 2.86Å; W172-F195 HydrophobicContact CB-CD1 4.26Å; W172-F195 HydrophobicContact CB-CE1 3.55Å; W172-F195 HydrophobicContact CB-CZ 4.32Å; W172-F195 AromaticContact CD1-CD1 3.62Å; W172-F195 AromaticContact CD1-CE1 3.7Å; W172-F195 AromaticContact CD2-CD1 3.69Å; W172-F195 HydrophobicContact CD2-CD1 3.69Å; W172-F195 AromaticContact CD2-CE1 3.86Å; W172-F195 HydrophobicContact CD2-CE1 3.86Å; W172-F195 AromaticContact CE2-CD1 3.73Å; W172-F195 HydrophobicContact CE3-CD1 4.37Å; W172-F195 HydrophobicContact CE3-CE1 4.49Å; W172-F195 AromaticContact CG-CD1 3.62Å; W172-F195 HydrophobicContact CG-CD1 3.62Å; W172-F195 AromaticContact CG-CE1 3.42Å; W172-F195 HydrophobicContact CG-CE1 3.42Å; W172-F195 VanDerWaalsContact CG-CE1 3.42Å; W172-F195 HydrophobicContact CZ2-CD1 4.44Å; W172-F195 AromaticContact NE1-CD1 3.67Å; W172-E197 HydrophobicContact CH2-CB 3.78Å; W172-E197 HydrophobicContact CH2-CG 4.31Å; W172-E197 HydrophobicContact CZ2-CB 3.66Å; W172-E197 HydrophobicContact CZ2-CG 3.81Å; W172-M215 HydrophobicContact CH2-SD 3.81Å; W172-M215 HydrophobicContact CZ2-SD 4.35Å; W172-Q218 HydrophobicContact CE3-CG 4.17Å; W172-Q218 HydrophobicContact CH2-CG 4.28Å; W172-Q218 HydrophobicContact CZ3-CB 4.43Å; W172-Q218 HydrophobicContact CZ3-CG 3.7Å; W172-V219 HydrophobicContact CH2-CG2 4.08Å; W172-V219 HydrophobicContact CZ3-CG2 4.11Å; W172-T222 HydrophobicContact CE3-CG2 4.02Å; W172-T222 VanDerWaalsContact CE3-OG1 3.27Å
173	R	98.9	Very high	97.9	Very high	78 Å²	78	43 Å²	43	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-44.6	175.7	-67.7	175.4	-177.1	-101.9	-1.9	111.5	E169 E171 N175 I176 D177 Y225	E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NE 3.14Å; E169-R173 PolarHBondContact OE1-NE 3.01Å; E169-R173 IonicContact OE1-NH2 3.85Å; E169-R173 PolarHBondContact OE1-NH2 3.24Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 3.29Å; R173-N175 VanDerWaalsContact C-N 3.31Å; R173-N175 PolarHBondContact O-N 2.88Å; R173-I176 WeakPolarHBondContact O-CB 3.33Å; R173-I176 PolarHBondContact O-N 3.07Å; R173-D177 PolarHBondContact O-N 2.81Å; R173-Y225 HydrophobicContact CB-CD1 4.16Å; R173-Y225 HydrophobicContact CB-CE1 3.7Å; R173-Y225 HydrophobicContact CG-CD1 3.76Å; R173-Y225 HydrophobicContact CG-CE1 3.8Å; R173-Y225 HydrophobicContact CG-CG 4.13Å
174	A	98.8	Very high	98.1	Very high	46 Å²	46	41.1 Å²	41.1	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-36.3	176.5	0	0	0	0	0	113.1	T170 E171 D177 T178	T170-A174 PolarHBondContact O-N 3.41Å; T170-A174 VanDerWaalsContact O-N 3.13Å; E171-A174 PolarHBondContact O-N 2.79Å; A174-D177 PolarHBondContact O-N 2.69Å; A174-T178 PolarHBondContact O-N 2.99Å; A174-T178 PolarHBondContact O-OG1 2.94Å
175	N	98.8	Very high	98.1	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-43.1	174.8	-65.6	-14	0	0	0	110.7	F140 E171 W172 R173 T178 V179	F140-N175 HydrophobicContact CD1-CB 4.35Å; F140-N175 HydrophobicContact CE1-CB 3.71Å; F140-N175 HydrophobicContact CE2-CB 4.26Å; F140-N175 HydrophobicContact CZ-CB 3.67Å; F140-N175 WeakPolarHBondContact CZ-OD1 3.41Å; E171-N175 WeakPolarHBondContact O-CB 3.36Å; E171-N175 PolarHBondContact O-N 3.45Å; E171-N175 PolarHBondContact O-ND2 2.75Å; E171-N175 PolarHBondContact O-OD1 3.45Å; W172-N175 PolarHBondContact O-N 3.34Å; R173-N175 VanDerWaalsContact C-N 3.31Å; R173-N175 PolarHBondContact O-N 2.88Å; N175-T178 WeakPolarHBondContact O-CB 3.41Å; N175-T178 PolarHBondContact O-N 3.33Å; N175-V179 WeakPolarHBondContact O-CG2 3.19Å; N175-V179 PolarHBondContact O-N 2.9Å
176	I	98.9	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.7	173.8	-71	169.1	0	0	0	110.8	W172 R173 T178 V179 M180 L193 F195 T222 Y225 L226	W172-I176 WeakPolarHBondContact O-CG1 3.47Å; W172-I176 PolarHBondContact O-N 2.86Å; R173-I176 WeakPolarHBondContact O-CB 3.33Å; R173-I176 PolarHBondContact O-N 3.07Å; I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.14Å; I176-V179 PolarHBondContact O-N 3.05Å; I176-V179 VanDerWaalsContact O-N 3.09Å; I176-M180 HydrophobicContact CG2-CG 4.41Å; I176-M180 WeakPolarHBondContact O-CG 3.21Å; I176-M180 PolarHBondContact O-N 3.22Å; I176-L193 HydrophobicContact CG1-CD2 4.01Å; I176-F195 HydrophobicContact CD1-CZ 4.19Å; I176-F195 HydrophobicContact CG1-CZ 4.13Å; I176-T222 HydrophobicContact CD1-CG2 3.53Å; I176-Y225 HydrophobicContact CB-CD1 4.3Å; I176-Y225 HydrophobicContact CB-CE1 4.15Å; I176-Y225 HydrophobicContact CD1-CD1 3.95Å; I176-Y225 HydrophobicContact CG2-CD1 4Å; I176-Y225 HydrophobicContact CG2-CE1 3.9Å; I176-L226 HydrophobicContact CB-CD1 4.37Å; I176-L226 HydrophobicContact CD1-CB 4.33Å; I176-L226 HydrophobicContact CD1-CD1 4.1Å; I176-L226 HydrophobicContact CG1-CD1 3.96Å; I176-L226 HydrophobicContact CG2-CD1 3.58Å
177	D	98.9	Very high	98.1	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-40.2	178.6	-63.2	-21.2	0	0	0	111.1	R173 A174 M180 A181 Y225	R173-D177 PolarHBondContact O-N 2.81Å; A174-D177 PolarHBondContact O-N 2.69Å; D177-M180 PolarHBondContact O-N 3.35Å; D177-A181 PolarHBondContact O-N 2.95Å; D177-Y225 VanDerWaalsContact CG-OH 3.29Å; D177-Y225 WeakPolarHBondContact OD1-CE1 3.21Å; D177-Y225 PolarHBondContact OD1-OH 3.2Å; D177-Y225 PolarHBondContact OD2-OH 3.27Å
178	T	98.9	Very high	98.2	Very high	41 Å²	41	44 Å²	44	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-43.2	173.5	-56.3	0	0	0	0	111.6	F140 A174 N175 I176 M180 A181 W182	F140-T178 HydrophobicContact CE2-CG2 3.93Å; A174-T178 PolarHBondContact O-N 2.99Å; A174-T178 PolarHBondContact O-OG1 2.94Å; N175-T178 WeakPolarHBondContact O-CB 3.41Å; N175-T178 PolarHBondContact O-N 3.33Å; I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.14Å; T178-M180 VanDerWaalsContact C-N 3.35Å; T178-A181 PolarHBondContact O-N 2.82Å; T178-W182 HydrophobicContact CG2-CZ2 4.16Å; T178-W182 PolarHBondContact O-N 3.15Å
179	V	98.9	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-38.5	177.5	168.3	0	0	0	0	111.5	L34 F140 N175 I176 W182 F183 V191 L193	L34-V179 HydrophobicContact CD1-CG1 3.96Å; L34-V179 HydrophobicContact CD2-CG1 4.48Å; F140-V179 HydrophobicContact CB-CG2 4.13Å; F140-V179 HydrophobicContact CD2-CG2 3.88Å; F140-V179 HydrophobicContact CG-CG2 4.25Å; N175-V179 WeakPolarHBondContact O-CG2 3.19Å; N175-V179 PolarHBondContact O-N 2.9Å; I176-V179 PolarHBondContact O-N 3.05Å; I176-V179 VanDerWaalsContact O-N 3.09Å; V179-W182 HydrophobicContact CG2-CE3 4.42Å; V179-W182 WeakPolarHBondContact O-CB 3.34Å; V179-W182 PolarHBondContact O-N 3.21Å; V179-F183 HydrophobicContact CG1-CD2 4.04Å; V179-F183 HydrophobicContact CG1-CE2 3.71Å; V179-F183 VanDerWaalsContact O-CD2 3.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.26Å; V179-F183 PolarHBondContact O-N 3.11Å; V179-F183 VanDerWaalsContact O-N 3.15Å; V179-V191 HydrophobicContact CB-CG1 4.47Å; V179-V191 HydrophobicContact CG1-CB 4.04Å; V179-V191 HydrophobicContact CG1-CG1 3.72Å; V179-V191 HydrophobicContact CG1-CG2 4.31Å; V179-V191 HydrophobicContact CG2-CG1 3.97Å; V179-L193 HydrophobicContact CG2-CD1 4.25Å; V179-L193 HydrophobicContact CG2-CD2 4.43Å
180	M	98.8	Very high	98.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-42	173.8	-66.4	-60	114.9	0	0	111.6	L34 I176 D177 T178 W182 F183 A184 L226 I230 L235	L34-M180 HydrophobicContact CD2-CE 3.89Å; I176-M180 HydrophobicContact CG2-CG 4.41Å; I176-M180 WeakPolarHBondContact O-CG 3.21Å; I176-M180 PolarHBondContact O-N 3.22Å; D177-M180 PolarHBondContact O-N 3.35Å; T178-M180 VanDerWaalsContact C-N 3.35Å; M180-W182 VanDerWaalsContact C-N 3.29Å; M180-W182 PolarHBondContact O-N 2.65Å; M180-F183 HydrophobicContact CE-CD2 4.32Å; M180-F183 PolarHBondContact O-N 3.32Å; M180-F183 VanDerWaalsContact O-N 3.16Å; M180-A184 WeakPolarHBondContact O-CB 3.41Å; M180-A184 PolarHBondContact O-N 2.84Å; M180-L226 HydrophobicContact CE-CD1 4Å; M180-I230 HydrophobicContact CE-CG1 3.99Å; M180-I230 HydrophobicContact SD-CG1 3.96Å; M180-L235 HydrophobicContact SD-CD1 4.4Å
181	A	98.7	Very high	98.3	Very high	25 Å²	25	35.4 Å²	35.4	21%	0.207	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-38	173.8	0	0	0	0	0	111.8	D177 T178 F183 A184 E185 E186	D177-A181 PolarHBondContact O-N 2.95Å; T178-A181 PolarHBondContact O-N 2.82Å; A181-F183 VanDerWaalsContact C-N 3.32Å; A181-F183 PolarHBondContact O-N 2.98Å; A181-A184 PolarHBondContact O-N 3Å; A181-E185 WeakPolarHBondContact O-CA 3.42Å; A181-E185 VanDerWaalsContact O-CB 3.31Å; A181-E185 WeakPolarHBondContact O-CB 3.24Å; A181-E185 PolarHBondContact O-N 3.44Å; A181-E186 PolarHBondContact O-N 2.99Å
182	W	98.8	Very high	98.3	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-40.1	173.7	-71.3	-3.3	0	0	0	113.1	F140 R156 R158 T178 V179 M180 E186 D187 L188 V191	F140-W182 HydrophobicContact CB-CH2 4.24Å; F140-W182 HydrophobicContact CB-CZ3 4.03Å; F140-W182 AromaticContact CD2-CH2 3.6Å; F140-W182 HydrophobicContact CD2-CH2 3.6Å; F140-W182 HydrophobicContact CD2-CZ2 4.14Å; F140-W182 AromaticContact CD2-CZ3 3.94Å; F140-W182 HydrophobicContact CD2-CZ3 3.94Å; F140-W182 HydrophobicContact CE2-CH2 4.39Å; F140-W182 HydrophobicContact CG-CH2 4.31Å; F140-W182 HydrophobicContact CG-CZ3 4.48Å; R156-W182 HydrophobicContact CB-CD2 3.95Å; R156-W182 HydrophobicContact CB-CE3 4.03Å; R156-W182 HydrophobicContact CB-CH2 3.93Å; R156-W182 HydrophobicContact CB-CZ2 3.84Å; R156-W182 HydrophobicContact CB-CZ3 4.02Å; R156-W182 HydrophobicContact CG-CD2 4.27Å; R156-W182 HydrophobicContact CG-CG 4.49Å; R158-W182 HydrophobicContact CB-CH2 4.32Å; R158-W182 HydrophobicContact CG-CH2 3.73Å; R158-W182 HydrophobicContact CG-CZ2 3.72Å; T178-W182 HydrophobicContact CG2-CZ2 4.16Å; T178-W182 PolarHBondContact O-N 3.15Å; V179-W182 HydrophobicContact CG2-CE3 4.42Å; V179-W182 WeakPolarHBondContact O-CB 3.34Å; V179-W182 PolarHBondContact O-N 3.21Å; M180-W182 VanDerWaalsContact C-N 3.29Å; M180-W182 PolarHBondContact O-N 2.65Å; W182-E186 PolarHBondContact NE1-OE1 2.94Å; W182-E186 CarbonylContact O-C 3.55Å; W182-E186 WeakPolarHBondContact O-CB 3.47Å; W182-E186 PolarHBondContact O-N 3.16Å; W182-D187 PolarHBondContact O-N 3.24Å; W182-L188 HydrophobicContact CB-CD2 4.15Å; W182-L188 HydrophobicContact CE3-CD2 4.28Å; W182-L188 PolarHBondContact O-N 3.41Å; W182-L188 VanDerWaalsContact O-N 3.11Å; W182-V191 HydrophobicContact CE3-CG1 4.05Å; W182-V191 HydrophobicContact CE3-CG2 4.14Å; W182-V191 HydrophobicContact CZ3-CG1 4.23Å
183	F	98.6	Very high	98.3	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-44.7	175.6	-74.6	-58.7	0	0	0	112.6	K32 L33 L34 V179 M180 A181 L188 V191 L235 L239	K32-F183 HydrophobicContact CB-CD1 4.19Å; K32-F183 HydrophobicContact CB-CE1 4.12Å; K32-F183 HydrophobicContact CD-CB 4.43Å; K32-F183 HydrophobicContact CD-CD1 3.89Å; L33-F183 WeakPolarHBondContact O-CZ 3.3Å; L34-F183 HydrophobicContact CB-CE2 4Å; L34-F183 HydrophobicContact CB-CZ 3.95Å; L34-F183 HydrophobicContact CD1-CE2 4.16Å; L34-F183 HydrophobicContact CD1-CZ 4.39Å; L34-F183 HydrophobicContact CD2-CE2 4.33Å; L34-F183 HydrophobicContact CG-CE2 4.38Å; V179-F183 HydrophobicContact CG1-CD2 4.04Å; V179-F183 HydrophobicContact CG1-CE2 3.71Å; V179-F183 VanDerWaalsContact O-CD2 3.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.26Å; V179-F183 PolarHBondContact O-N 3.11Å; V179-F183 VanDerWaalsContact O-N 3.15Å; M180-F183 HydrophobicContact CE-CD2 4.32Å; M180-F183 PolarHBondContact O-N 3.32Å; M180-F183 VanDerWaalsContact O-N 3.16Å; A181-F183 VanDerWaalsContact C-N 3.32Å; A181-F183 PolarHBondContact O-N 2.98Å; F183-L188 HydrophobicContact CD1-CB 4.4Å; F183-L188 WeakPolarHBondContact CD1-O 3.45Å; F183-V191 HydrophobicContact CD1-CG2 4.28Å; F183-V191 HydrophobicContact CD2-CG2 4.4Å; F183-V191 HydrophobicContact CE1-CB 4.23Å; F183-V191 HydrophobicContact CE1-CG2 3.74Å; F183-V191 HydrophobicContact CE2-CB 3.93Å; F183-V191 HydrophobicContact CE2-CG2 3.85Å; F183-V191 HydrophobicContact CZ-CB 3.56Å; F183-V191 HydrophobicContact CZ-CG2 3.5Å; F183-L235 HydrophobicContact CB-CD1 3.88Å; F183-L239 HydrophobicContact CD1-CD1 4.36Å; F183-L239 HydrophobicContact CD2-CD1 3.78Å; F183-L239 HydrophobicContact CE1-CD1 4.28Å; F183-L239 HydrophobicContact CE2-CD1 3.69Å; F183-L239 HydrophobicContact CG-CD1 4.12Å; F183-L239 HydrophobicContact CZ-CD1 3.94Å
184	A	94.8	Very high	98.3	Very high	58 Å²	58	29.2 Å²	29.2	48%	0.479	17%	0.167	S	C	.	.	H	α-helix	trans	-83.4	-39.1	-170.7	0	0	0	0	0	113.9	M180 A181	M180-A184 WeakPolarHBondContact O-CB 3.41Å; M180-A184 PolarHBondContact O-N 2.84Å; A181-A184 PolarHBondContact O-N 3Å
185	E	96.4	Very high	98.3	Very high	163 Å²	163	27.3 Å²	27.3	76%	0.762	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-31.8	-171.1	-57	178.1	-151.8	0	0	112.5	A181	A181-E185 WeakPolarHBondContact O-CA 3.42Å; A181-E185 VanDerWaalsContact O-CB 3.31Å; A181-E185 WeakPolarHBondContact O-CB 3.24Å; A181-E185 PolarHBondContact O-N 3.44Å
186	E	96.3	Very high	98.3	Very high	56 Å²	56	27 Å²	27	26%	0.262	15%	0.15	S	C	.	.	S	Bend	trans	-103	2.3	-175.3	-51.3	-152.8	-123.9	0	0	113.6	R136 R156 A181 W182 L188	R136-E186 VanDerWaalsContact CZ-O 3.31Å; R136-E186 PolarHBondContact NE-O 3.29Å; R136-E186 PolarHBondContact NH2-O 2.82Å; R156-E186 IonicContact CZ-OE2 2.98Å; R156-E186 IonicContact NE-OE1 3.47Å; R156-E186 PolarHBondContact NE-OE1 2.91Å; R156-E186 IonicContact NE-OE2 2.64Å; R156-E186 PolarHBondContact NE-OE2 3.3Å; R156-E186 IonicContact NH2-OE2 2.61Å; R156-E186 PolarHBondContact NH2-OE2 3.24Å; A181-E186 PolarHBondContact O-N 2.99Å; W182-E186 PolarHBondContact NE1-OE1 2.94Å; W182-E186 CarbonylContact O-C 3.55Å; W182-E186 WeakPolarHBondContact O-CB 3.47Å; W182-E186 PolarHBondContact O-N 3.16Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 HydrophobicContact CB-CD1 3.78Å; E186-L188 WeakPolarHBondContact O-CD1 3.06Å; E186-L188 PolarHBondContact O-N 3.16Å
187	D	96.7	Very high	98.3	Very high	95 Å²	95	27.2 Å²	27.2	51%	0.508	15%	0.15	S	C	.	.			trans	48.6	50	179.8	-166.5	30.3	0	0	0	112.6	K32 R136 W182	K32-D187 IonicContact NZ-OD1 2.9Å; K32-D187 PolarHBondContact NZ-OD1 3.23Å; R136-D187 VanDerWaalsContact CD-O 3.24Å; R136-D187 WeakPolarHBondContact CD-O 3.36Å; R136-D187 PolarHBondContact NE-O 3.32Å; W182-D187 PolarHBondContact O-N 3.24Å
188	L	98.6	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.			trans	-77.6	148.6	168.3	-89.2	68.4	0	0	0	110.2	K32 R136 G138 R156 W182 F183 E186 V191	K32-L188 WeakPolarHBondContact CD-O 3.43Å; K32-L188 WeakPolarHBondContact CE-O 3.07Å; K32-L188 PolarHBondContact NZ-O 2.91Å; R136-L188 HydrophobicContact CB-CD1 4.42Å; R136-L188 HydrophobicContact CB-CG 4.19Å; G138-L188 VanDerWaalsContact CA-CD2 3.43Å; R156-L188 HydrophobicContact CB-CD2 4.03Å; R156-L188 HydrophobicContact CG-CD1 4.15Å; R156-L188 HydrophobicContact CG-CD2 4.11Å; W182-L188 HydrophobicContact CB-CD2 4.15Å; W182-L188 HydrophobicContact CE3-CD2 4.28Å; W182-L188 PolarHBondContact O-N 3.41Å; W182-L188 VanDerWaalsContact O-N 3.11Å; F183-L188 HydrophobicContact CD1-CB 4.4Å; F183-L188 WeakPolarHBondContact CD1-O 3.45Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 HydrophobicContact CB-CD1 3.78Å; E186-L188 WeakPolarHBondContact O-CD1 3.06Å; E186-L188 PolarHBondContact O-N 3.16Å; L188-V191 HydrophobicContact CB-CG2 4.29Å; L188-V191 HydrophobicContact CD2-CG2 3.94Å
189	D	98.8	Very high	98.3	Very high	29 Å²	29	23 Å²	23	16%	0.155	13%	0.126	C	C	.	.	S	Bend	trans	-105.6	-26.6	177.9	-54.7	-62.9	0	0	0	112	K32 L33 L135 R136	K32-D189 CarbonylContact C-O 3.56Å; K32-D189 VanDerWaalsContact CA-O 3.3Å; K32-D189 WeakPolarHBondContact CA-O 3.4Å; K32-D189 IonicContact NZ-OD1 3.34Å; K32-D189 PolarHBondContact NZ-OD1 3.04Å; L33-D189 PolarHBondContact N-O 3.4Å; L135-D189 VanDerWaalsContact CA-OD2 3.3Å; L135-D189 WeakPolarHBondContact CA-OD2 3.35Å; L135-D189 HydrophobicContact CB-CB 4.12Å; L135-D189 WeakPolarHBondContact CB-OD2 3.19Å; L135-D189 HydrophobicContact CD1-CB 4.31Å; L135-D189 HydrophobicContact CD2-CB 4.24Å; L135-D189 HydrophobicContact CG-CB 4.46Å; R136-D189 PolarHBondContact N-OD2 3.1Å; R136-D189 PolarHBondContact O-N 2.87Å
190	L	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.8	179.8	169	64	0	0	0	109.6	L33 I126 R136 A137 G138 T192 L395	L33-L190 HydrophobicContact CB-CD1 4.15Å; L33-L190 HydrophobicContact CD2-CD1 4.04Å; L33-L190 HydrophobicContact CG-CD1 4.05Å; L33-L190 CarbonylContact O-C 3.52Å; L33-L190 VanDerWaalsContact O-CA 3.31Å; L33-L190 WeakPolarHBondContact O-CA 3.25Å; I126-L190 HydrophobicContact CB-CD2 4.47Å; I126-L190 HydrophobicContact CD1-CD2 4.39Å; I126-L190 HydrophobicContact CG1-CD2 4Å; I126-L190 HydrophobicContact CG2-CD2 3.88Å; R136-L190 PolarHBondContact O-N 3.01Å; A137-L190 CarbonylContact C-O 3.6Å; A137-L190 WeakPolarHBondContact CA-O 3.29Å; A137-L190 HydrophobicContact CB-CB 4.26Å; A137-L190 HydrophobicContact CB-CD2 4.24Å; A137-L190 HydrophobicContact CB-CG 4.48Å; G138-L190 PolarHBondContact N-O 3Å; L190-T192 HydrophobicContact CD1-CG2 4.48Å; L190-L395 HydrophobicContact CB-CD1 4.28Å; L190-L395 HydrophobicContact CB-CD2 4.35Å; L190-L395 HydrophobicContact CD1-CD1 4.44Å; L190-L395 HydrophobicContact CD2-CD1 4.1Å
191	V	98.9	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.1	163.1	-177.9	0	0	0	0	110.3	L33 L34 L35 G138 V179 W182 F183 L188	L33-V191 PolarHBondContact O-N 3.04Å; L34-V191 WeakPolarHBondContact CA-O 3.48Å; L34-V191 HydrophobicContact CD1-CB 4.09Å; L34-V191 HydrophobicContact CD1-CG1 4.3Å; L34-V191 WeakPolarHBondContact CD1-O 3.28Å; L35-V191 PolarHBondContact N-O 3.12Å; G138-V191 WeakPolarHBondContact O-CA 3.35Å; V179-V191 HydrophobicContact CB-CG1 4.47Å; V179-V191 HydrophobicContact CG1-CB 4.04Å; V179-V191 HydrophobicContact CG1-CG1 3.72Å; V179-V191 HydrophobicContact CG1-CG2 4.31Å; V179-V191 HydrophobicContact CG2-CG1 3.97Å; W182-V191 HydrophobicContact CE3-CG1 4.05Å; W182-V191 HydrophobicContact CE3-CG2 4.14Å; W182-V191 HydrophobicContact CZ3-CG1 4.23Å; F183-V191 HydrophobicContact CD1-CG2 4.28Å; F183-V191 HydrophobicContact CD2-CG2 4.4Å; F183-V191 HydrophobicContact CE1-CB 4.23Å; F183-V191 HydrophobicContact CE1-CG2 3.74Å; F183-V191 HydrophobicContact CE2-CB 3.93Å; F183-V191 HydrophobicContact CE2-CG2 3.85Å; F183-V191 HydrophobicContact CZ-CB 3.56Å; F183-V191 HydrophobicContact CZ-CG2 3.5Å; L188-V191 HydrophobicContact CB-CG2 4.29Å; L188-V191 HydrophobicContact CD2-CG2 3.94Å
192	T	99	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.8	167.4	58.8	0	0	0	0	109.4	L35 V83 W127 G138 F140 Y142 L190	L35-T192 HydrophobicContact CB-CG2 4.13Å; L35-T192 HydrophobicContact CD2-CG2 4Å; L35-T192 CarbonylContact O-C 3.45Å; L35-T192 VanDerWaalsContact O-CA 3.3Å; L35-T192 WeakPolarHBondContact O-CA 3.22Å; V83-T192 HydrophobicContact CG1-CG2 4.46Å; W127-T192 VanDerWaalsContact CE2-OG1 3.3Å; W127-T192 HydrophobicContact CZ2-CG2 3.9Å; W127-T192 VanDerWaalsContact CZ2-OG1 3.24Å; W127-T192 WeakPolarHBondContact CZ2-OG1 3.44Å; W127-T192 PolarHBondContact NE1-OG1 3.38Å; G138-T192 PolarHBondContact O-N 3.08Å; G138-T192 PolarHBondContact O-OG1 3.17Å; F140-T192 PolarHBondContact N-O 3.17Å; Y142-T192 HydrophobicContact CD2-CG2 4.49Å; L190-T192 HydrophobicContact CD1-CG2 4.48Å
193	L	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.9	-177.3	172.8	61.8	0	0	0	110	L34 L35 V36 S37 F140 I176 V179 F195	L34-L193 HydrophobicContact CD1-CB 4.23Å; L35-L193 PolarHBondContact O-N 2.65Å; V36-L193 CarbonylContact C-O 3.59Å; V36-L193 VanDerWaalsContact CA-O 3.31Å; V36-L193 WeakPolarHBondContact CA-O 3.32Å; V36-L193 HydrophobicContact CG1-CD2 4.49Å; V36-L193 HydrophobicContact CG1-CG 4.48Å; V36-L193 HydrophobicContact CG2-CB 4.32Å; V36-L193 HydrophobicContact CG2-CD2 4.34Å; S37-L193 PolarHBondContact N-O 3.49Å; F140-L193 HydrophobicContact CB-CD1 3.8Å; F140-L193 HydrophobicContact CD1-CD1 3.91Å; F140-L193 HydrophobicContact CG-CD1 3.94Å; I176-L193 HydrophobicContact CG1-CD2 4.01Å; V179-L193 HydrophobicContact CG2-CD1 4.25Å; V179-L193 HydrophobicContact CG2-CD2 4.43Å; L193-F195 HydrophobicContact CD1-CE2 4.38Å; L193-F195 HydrophobicContact CD1-CZ 4.24Å; L193-F195 HydrophobicContact CD2-CE2 3.65Å; L193-F195 HydrophobicContact CD2-CZ 3.76Å; L193-F195 HydrophobicContact CG-CD2 4.43Å; L193-F195 HydrophobicContact CG-CE2 3.74Å; L193-F195 HydrophobicContact CG-CZ 4.03Å
194	Y	98.9	Very high	98.3	Very high	7 Å²	7	31 Å²	31	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.4	-179	167.2	-93.4	0	0	0	112.1	D39 T75 H79 F140 F141 Y166 G196	D39-Y194 HydrophobicContact CB-CE2 3.71Å; D39-Y194 VanDerWaalsContact OD2-CE2 3.25Å; D39-Y194 WeakPolarHBondContact OD2-CE2 3.45Å; D39-Y194 VanDerWaalsContact OD2-CZ 3.3Å; D39-Y194 PolarHBondContact OD2-OH 2.64Å; T75-Y194 HydrophobicContact CG2-CE2 4.44Å; H79-Y194 AromaticContact CE1-CD2 3.88Å; H79-Y194 AromaticContact CE1-CE2 3.68Å; H79-Y194 AromaticContact NE2-CD2 3.44Å; H79-Y194 WeakPolarHBondContact NE2-CD2 3.46Å; H79-Y194 AromaticContact NE2-CE2 3.74Å; F140-Y194 PolarHBondContact O-N 2.97Å; F141-Y194 HydrophobicContact CB-CD1 3.87Å; Y166-Y194 HydrophobicContact CD1-CE1 4.35Å; Y166-Y194 AromaticContact CE1-CE1 3.82Å; Y166-Y194 HydrophobicContact CE1-CE1 3.82Å; Y194-G196 WeakPolarHBondContact OH-CA 2.97Å
195	F	98.9	Very high	98.5	Very high	5 Å²	5	32 Å²	32	2%	0.022	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.3	168.7	-63.3	-78.2	0	0	0	109.6	V36 S37 F38 D39 W172 I176 L193 E197 T222	V36-F195 HydrophobicContact CG1-CD2 3.9Å; V36-F195 HydrophobicContact CG1-CE2 3.77Å; S37-F195 PolarHBondContact O-N 3.29Å; F38-F195 HydrophobicContact CD1-CB 3.59Å; F38-F195 AromaticContact CD1-CD2 3.68Å; F38-F195 HydrophobicContact CD1-CD2 3.68Å; F38-F195 AromaticContact CD1-CG 3.86Å; F38-F195 HydrophobicContact CD1-CG 3.86Å; F38-F195 HydrophobicContact CE1-CB 3.9Å; F38-F195 HydrophobicContact CE1-CD1 4.46Å; F38-F195 AromaticContact CE1-CD2 3.25Å; F38-F195 HydrophobicContact CE1-CD2 3.25Å; F38-F195 AromaticContact CE1-CE2 3.82Å; F38-F195 HydrophobicContact CE1-CE2 3.82Å; F38-F195 AromaticContact CE1-CG 3.62Å; F38-F195 HydrophobicContact CE1-CG 3.62Å; F38-F195 HydrophobicContact CE2-CD2 4.36Å; F38-F195 HydrophobicContact CG-CB 4.47Å; F38-F195 HydrophobicContact CG-CD2 4.39Å; F38-F195 AromaticContact CZ-CD2 3.64Å; F38-F195 HydrophobicContact CZ-CD2 3.64Å; F38-F195 AromaticContact CZ-CE2 3.83Å; F38-F195 HydrophobicContact CZ-CE2 3.83Å; F38-F195 HydrophobicContact CZ-CG 4.44Å; D39-F195 WeakPolarHBondContact CB-O 3.41Å; D39-F195 PolarHBondContact N-O 3.43Å; W172-F195 HydrophobicContact CB-CD1 4.26Å; W172-F195 HydrophobicContact CB-CE1 3.55Å; W172-F195 HydrophobicContact CB-CZ 4.32Å; W172-F195 AromaticContact CD1-CD1 3.62Å; W172-F195 AromaticContact CD1-CE1 3.7Å; W172-F195 AromaticContact CD2-CD1 3.69Å; W172-F195 HydrophobicContact CD2-CD1 3.69Å; W172-F195 AromaticContact CD2-CE1 3.86Å; W172-F195 HydrophobicContact CD2-CE1 3.86Å; W172-F195 AromaticContact CE2-CD1 3.73Å; W172-F195 HydrophobicContact CE3-CD1 4.37Å; W172-F195 HydrophobicContact CE3-CE1 4.49Å; W172-F195 AromaticContact CG-CD1 3.62Å; W172-F195 HydrophobicContact CG-CD1 3.62Å; W172-F195 AromaticContact CG-CE1 3.42Å; W172-F195 HydrophobicContact CG-CE1 3.42Å; W172-F195 VanDerWaalsContact CG-CE1 3.42Å; W172-F195 HydrophobicContact CZ2-CD1 4.44Å; W172-F195 AromaticContact NE1-CD1 3.67Å; I176-F195 HydrophobicContact CD1-CZ 4.19Å; I176-F195 HydrophobicContact CG1-CZ 4.13Å; L193-F195 HydrophobicContact CD1-CE2 4.38Å; L193-F195 HydrophobicContact CD1-CZ 4.24Å; L193-F195 HydrophobicContact CD2-CE2 3.65Å; L193-F195 HydrophobicContact CD2-CZ 3.76Å; L193-F195 HydrophobicContact CG-CD2 4.43Å; L193-F195 HydrophobicContact CG-CE2 3.74Å; L193-F195 HydrophobicContact CG-CZ 4.03Å; F195-E197 PolarHBondContact O-N 3.41Å; F195-E197 VanDerWaalsContact O-N 3.13Å; F195-T222 HydrophobicContact CZ-CG2 4.29Å
196	G	98.5	Very high	98.6	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.031	12%	0.122	C	C	.	.			trans	-81.4	23.8	180	0	0	0	0	0	115.1	Y194 S200	Y194-G196 WeakPolarHBondContact OH-CA 2.97Å; G196-S200 PolarHBondContact O-N 3.23Å
197	E	98.8	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	150.3	177.3	-70.4	-72.2	-171.6	0	0	108.7	F38 D39 K167 W172 F195 T201 M215	F38-E197 CarbonylContact C-O 3.39Å; F38-E197 WeakPolarHBondContact CA-O 3.44Å; F38-E197 WeakPolarHBondContact CB-O 3.45Å; D39-E197 PolarHBondContact N-O 3.34Å; D39-E197 CarbonylContact O-C 3.54Å; K167-E197 HydrophobicContact CB-CG 4.04Å; K167-E197 WeakPolarHBondContact CB-OE1 3.36Å; W172-E197 HydrophobicContact CH2-CB 3.78Å; W172-E197 HydrophobicContact CH2-CG 4.31Å; W172-E197 HydrophobicContact CZ2-CB 3.66Å; W172-E197 HydrophobicContact CZ2-CG 3.81Å; F195-E197 PolarHBondContact O-N 3.41Å; F195-E197 VanDerWaalsContact O-N 3.13Å; E197-T201 VanDerWaalsContact CD-OG1 3.25Å; E197-T201 PolarHBondContact OE1-OG1 2.87Å; E197-T201 VanDerWaalsContact OE1-OG1 3.09Å; E197-T201 WeakPolarHBondContact OE2-CB 3.32Å; E197-T201 PolarHBondContact OE2-N 3.04Å; E197-T201 PolarHBondContact OE2-OG1 3.47Å; E197-M215 HydrophobicContact CB-CG 3.79Å; E197-M215 HydrophobicContact CB-SD 3.75Å; E197-M215 HydrophobicContact CG-CE 4.14Å; E197-M215 HydrophobicContact CG-CG 4.16Å; E197-M215 HydrophobicContact CG-SD 3.76Å
198	P	98.8	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.3	6.6	9	34.3	-38.5	0	0	0	116.5	D39 F41 Y45 S200 T201 G202 M215	D39-P198 WeakPolarHBondContact O-CD 3.42Å; D39-P198 VanDerWaalsContact O-N 3.12Å; F41-P198 HydrophobicContact CB-CG 4.22Å; F41-P198 HydrophobicContact CD2-CG 4.03Å; F41-P198 HydrophobicContact CG-CG 4.33Å; Y45-P198 HydrophobicContact CD2-CG 3.89Å; Y45-P198 HydrophobicContact CE2-CB 4.35Å; Y45-P198 HydrophobicContact CE2-CG 3.79Å; P198-S200 PolarHBondContact O-N 3.43Å; P198-T201 PolarHBondContact O-N 3Å; P198-G202 PolarHBondContact O-N 2.88Å; P198-M215 HydrophobicContact CB-CB 4.3Å; P198-M215 HydrophobicContact CB-CG 3.9Å
199	D	98.8	Very high	98.8	Very high	18 Å²	18	22 Å²	22	10%	0.096	11%	0.109	C	C	.	.	H	α-helix	trans	-49.4	-56.3	179.6	-178.2	68.8	0	0	0	113.8	D39 T201 G202 H203 H247 M249 H353	D39-D199 HydrophobicContact CB-CB 3.67Å; D39-D199 WeakPolarHBondContact O-CB 2.86Å; D39-D199 PolarHBondContact O-N 3.47Å; D39-D199 WeakPolarHBondContact OD1-CB 3.46Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 PolarHBondContact O-N 2.8Å; D199-G202 CarbonylContact O-C 3.37Å; D199-G202 WeakPolarHBondContact O-CA 2.89Å; D199-G202 PolarHBondContact O-N 3.13Å; D199-H203 PolarHBondContact O-N 2.56Å; D199-H203 IonicContact OD1-CD2 2.88Å; D199-H203 PolarHBondContact OD1-CD2 2.84Å; D199-H203 IonicContact OD1-NE2 3.6Å; D199-H203 PolarHBondContact OD1-NE2 2.96Å; D199-H203 IonicContact OD2-CD2 3.64Å; D199-H203 PolarHBondContact OD2-CD2 2.76Å; D199-H203 IonicContact OD2-NE2 3.98Å; D199-H203 PolarHBondContact OD2-NE2 2.98Å; D199-H247 IonicContact OD1-CE1 3.18Å; D199-M249 WeakPolarHBondContact OD1-CE 3.5Å; D199-H353 IonicContact OD1-CD2 2.9Å; D199-H353 IonicContact OD1-NE2 3.01Å
200	S	98.6	Very high	98.8	Very high	54 Å²	54	24.8 Å²	24.8	38%	0.378	13%	0.129	S	C	.	.	H	α-helix	trans	-59.4	-42.2	-176.6	-167.7	0	0	0	0	112.6	G196 P198 K204	G196-S200 PolarHBondContact O-N 3.23Å; P198-S200 PolarHBondContact O-N 3.43Å; S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 2.73Å; S200-K204 VanDerWaalsContact O-N 3.15Å
201	T	98.9	Very high	98.8	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-41.2	174.6	-61.7	0	0	0	0	111.6	E197 P198 D199 K204 Y205 E211 M215	E197-T201 VanDerWaalsContact CD-OG1 3.25Å; E197-T201 PolarHBondContact OE1-OG1 2.87Å; E197-T201 VanDerWaalsContact OE1-OG1 3.09Å; E197-T201 WeakPolarHBondContact OE2-CB 3.32Å; E197-T201 PolarHBondContact OE2-N 3.04Å; E197-T201 PolarHBondContact OE2-OG1 3.47Å; P198-T201 PolarHBondContact O-N 3Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 PolarHBondContact O-N 2.8Å; T201-K204 PolarHBondContact O-N 3.43Å; T201-Y205 HydrophobicContact CG2-CD2 3.87Å; T201-Y205 HydrophobicContact CG2-CE2 4.42Å; T201-Y205 WeakPolarHBondContact O-CD2 3.32Å; T201-Y205 PolarHBondContact O-N 3.41Å; T201-E211 HydrophobicContact CG2-CB 3.87Å; T201-M215 HydrophobicContact CG2-CB 4.13Å; T201-M215 WeakPolarHBondContact OG1-CE 3.37Å
202	G	98.8	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-46.3	176.8	0	0	0	0	0	112.5	P198 D199 G206 G351	P198-G202 PolarHBondContact O-N 2.88Å; D199-G202 CarbonylContact O-C 3.37Å; D199-G202 WeakPolarHBondContact O-CA 2.89Å; D199-G202 PolarHBondContact O-N 3.13Å; G202-G206 CarbonylContact O-C 3.56Å; G202-G206 WeakPolarHBondContact O-CA 3.4Å; G202-G206 PolarHBondContact O-N 3Å; G202-G351 WeakPolarHBondContact O-CA 3.43Å; G202-G351 PolarHBondContact O-N 3Å
203	H	98.8	Very high	98.8	Very high	27 Å²	27	33 Å²	33	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-48.1	173.8	-81.8	-58.6	0	0	0	112.2	D199 N349 N350 G351 E352 H353	D199-H203 PolarHBondContact O-N 2.56Å; D199-H203 IonicContact OD1-CD2 2.88Å; D199-H203 PolarHBondContact OD1-CD2 2.84Å; D199-H203 IonicContact OD1-NE2 3.6Å; D199-H203 PolarHBondContact OD1-NE2 2.96Å; D199-H203 IonicContact OD2-CD2 3.64Å; D199-H203 PolarHBondContact OD2-CD2 2.76Å; D199-H203 IonicContact OD2-NE2 3.98Å; D199-H203 PolarHBondContact OD2-NE2 2.98Å; H203-N349 HydrophobicContact CB-CB 4.43Å; H203-N349 PolarHBondContact ND1-ND2 2.9Å; H203-N349 CarbonylContact O-C 3.4Å; H203-N349 WeakPolarHBondContact O-CA 3.26Å; H203-N349 WeakPolarHBondContact O-CB 3.47Å; H203-N350 PolarHBondContact O-N 3.01Å; H203-G351 WeakPolarHBondContact CA-O 3.48Å; H203-G351 PolarHBondContact ND1-O 3.37Å; H203-G351 PolarHBondContact O-N 3.44Å; H203-E352 IonicContact CE1-OE1 3.59Å; H203-E352 PolarHBondContact CE1-OE1 3.48Å; H203-E352 IonicContact CE1-OE2 3.7Å; H203-E352 PolarHBondContact CE1-OE2 2.67Å; H203-E352 IonicContact ND1-OE2 3.5Å; H203-E352 PolarHBondContact ND1-OE2 2.84Å; H203-H353 AromaticContact CE1-CD2 3.29Å; H203-H353 PolarHBondContact CE1-CD2 3.25Å; H203-H353 AromaticContact CE1-NE2 3.52Å; H203-H353 AromaticContact NE2-CD2 3.34Å; H203-H353 PolarHBondContact NE2-CD2 2.96Å; H203-H353 VanDerWaalsContact NE2-CD2 3.34Å; H203-H353 AromaticContact NE2-NE2 3.23Å; H203-H353 PolarHBondContact NE2-NE2 3.42Å
204	K	98.6	Very high	98.8	Very high	123 Å²	123	37 Å²	37	54%	0.535	18%	0.182	S	C	.	.	H	α-helix	trans	-69	-45.1	-172.9	-176.1	173.2	178.5	-169.2	0	112.9	S200 T201	S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 2.73Å; S200-K204 VanDerWaalsContact O-N 3.15Å; T201-K204 PolarHBondContact O-N 3.43Å
205	Y	98.6	Very high	98.8	Very high	79 Å²	79	37.2 Å²	37.2	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-109.2	-20.9	-170.9	-58.7	-74.7	0	0	0	113.6	T201 S209 E211 N350	T201-Y205 HydrophobicContact CG2-CD2 3.87Å; T201-Y205 HydrophobicContact CG2-CE2 4.42Å; T201-Y205 WeakPolarHBondContact O-CD2 3.32Å; T201-Y205 PolarHBondContact O-N 3.41Å; Y205-S209 WeakPolarHBondContact CB-OG 3.25Å; Y205-E211 HydrophobicContact CD1-CG 3.99Å; Y205-E211 HydrophobicContact CD2-CB 3.58Å; Y205-E211 HydrophobicContact CD2-CG 3.81Å; Y205-E211 HydrophobicContact CE1-CG 4.19Å; Y205-E211 HydrophobicContact CE2-CB 4.07Å; Y205-E211 HydrophobicContact CE2-CG 3.97Å; Y205-E211 HydrophobicContact CG-CB 3.81Å; Y205-E211 HydrophobicContact CG-CG 3.79Å; Y205-N350 VanDerWaalsContact C-CB 3.4Å; Y205-N350 WeakPolarHBondContact O-CB 3.45Å; Y205-N350 PolarHBondContact O-ND2 3.37Å
206	G	98.7	Very high	98.8	Very high	4 Å²	4	37 Å²	37	4%	0.041	18%	0.182	C	C	.	.			trans	103.9	150.9	-175.9	0	0	0	0	0	111.7	G202 E208 S209	G202-G206 CarbonylContact O-C 3.56Å; G202-G206 WeakPolarHBondContact O-CA 3.4Å; G202-G206 PolarHBondContact O-N 3Å; G206-E208 PolarHBondContact O-N 2.65Å; G206-S209 VanDerWaalsContact O-CB 3.25Å; G206-S209 WeakPolarHBondContact O-CB 3.37Å; G206-S209 PolarHBondContact O-N 3.47Å; G206-S209 PolarHBondContact O-OG 3Å
207	P	98.7	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.4	-176.8	29.1	-37.7	0	0	0	113.6	Y45 R212 M249 T250 T251	Y45-P207 HydrophobicContact CE1-CB 4.03Å; Y45-P207 WeakPolarHBondContact OH-CA 3.5Å; Y45-P207 WeakPolarHBondContact OH-CB 3.25Å; P207-R212 VanDerWaalsContact O-CZ 3.23Å; P207-R212 PolarHBondContact O-NE 3.05Å; P207-R212 PolarHBondContact O-NH2 3.41Å; P207-M249 HydrophobicContact CB-CB 4.15Å; P207-M249 HydrophobicContact CB-CG 3.87Å; P207-M249 HydrophobicContact CG-CG 4.19Å; P207-T250 VanDerWaalsContact CG-C 3.48Å; P207-T251 WeakPolarHBondContact CD-OG1 2.97Å; P207-T251 WeakPolarHBondContact CG-OG1 3.14Å
208	E	98.6	Very high	98.8	Very high	89 Å²	89	41.7 Å²	41.7	42%	0.416	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.9	178.5	-48	-45.4	142.9	0	0	113.4	R42 G206 R212	R42-E208 IonicContact CZ-OE1 3.76Å; R42-E208 IonicContact NH1-OE1 2.69Å; R42-E208 PolarHBondContact NH1-OE1 2.88Å; R42-E208 IonicContact NH2-OE1 2.8Å; R42-E208 PolarHBondContact NH2-OE1 3.42Å; R42-E208 IonicContact NH2-OE2 2.77Å; R42-E208 PolarHBondContact NH2-OE2 2.71Å; G206-E208 PolarHBondContact O-N 2.65Å; E208-R212 IonicContact OE2-NH2 3.64Å
209	S	98.8	Very high	98.8	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.084	20%	0.2	C	C	.	.	S	Bend	trans	-75.9	151.4	-174.4	67.1	0	0	0	0	113.4	Y205 G206 E211 R212 R213	Y205-S209 WeakPolarHBondContact CB-OG 3.25Å; G206-S209 VanDerWaalsContact O-CB 3.25Å; G206-S209 WeakPolarHBondContact O-CB 3.37Å; G206-S209 PolarHBondContact O-N 3.47Å; G206-S209 PolarHBondContact O-OG 3Å; S209-E211 WeakPolarHBondContact CB-OE2 3.22Å; S209-E211 PolarHBondContact O-N 3.29Å; S209-R212 PolarHBondContact O-N 2.75Å; S209-R212 WeakPolarHBondContact OG-CB 3.03Å; S209-R212 PolarHBondContact OG-N 3.24Å; S209-R212 VanDerWaalsContact OG-N 3.15Å; S209-R213 PolarHBondContact O-N 3.47Å
210	P	98.8	Very high	98.8	Very high	87 Å²	87	41.2 Å²	41.2	57%	0.565	20%	0.197	S	C	*	.	H	α-helix	trans	-63.3	-28.6	171.4	26.1	-32.8	0	0	0	112.6	R213 E214	P210-R213 PolarHBondContact O-N 3.21Å; P210-E214 PolarHBondContact O-N 3.24Å
211	E	98.9	Very high	98.8	Very high	80 Å²	80	43 Å²	43	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-44.2	174.1	-67.4	81	179.3	0	0	111.5	T201 Y205 S209 R213 E214 M215	T201-E211 HydrophobicContact CG2-CB 3.87Å; Y205-E211 HydrophobicContact CD1-CG 3.99Å; Y205-E211 HydrophobicContact CD2-CB 3.58Å; Y205-E211 HydrophobicContact CD2-CG 3.81Å; Y205-E211 HydrophobicContact CE1-CG 4.19Å; Y205-E211 HydrophobicContact CE2-CB 4.07Å; Y205-E211 HydrophobicContact CE2-CG 3.97Å; Y205-E211 HydrophobicContact CG-CB 3.81Å; Y205-E211 HydrophobicContact CG-CG 3.79Å; S209-E211 WeakPolarHBondContact CB-OE2 3.22Å; S209-E211 PolarHBondContact O-N 3.29Å; E211-R213 VanDerWaalsContact C-N 3.31Å; E211-R213 PolarHBondContact O-N 2.97Å; E211-E214 PolarHBondContact O-N 2.87Å; E211-M215 PolarHBondContact O-N 3.23Å
212	R	98.8	Very high	98.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-44.7	173.9	-176.7	-82	-64.5	173.8	-1.7	110.7	Y45 D48 P207 E208 S209 E214 M215 V216	Y45-R212 HydrophobicContact CD2-CG 4.49Å; Y45-R212 HydrophobicContact CE1-CG 4.25Å; Y45-R212 HydrophobicContact CE2-CG 3.93Å; Y45-R212 PolarHBondContact O-NH1 2.76Å; D48-R212 IonicContact OD1-CZ 3.63Å; D48-R212 IonicContact OD1-NH1 3.51Å; D48-R212 PolarHBondContact OD1-NH1 2.69Å; D48-R212 IonicContact OD1-NH2 3.18Å; D48-R212 PolarHBondContact OD1-NH2 2.91Å; D48-R212 IonicContact OD2-CZ 3.6Å; D48-R212 IonicContact OD2-NH1 3.23Å; D48-R212 IonicContact OD2-NH2 2.65Å; D48-R212 PolarHBondContact OD2-NH2 2.95Å; P207-R212 VanDerWaalsContact O-CZ 3.23Å; P207-R212 PolarHBondContact O-NE 3.05Å; P207-R212 PolarHBondContact O-NH2 3.41Å; E208-R212 IonicContact OE2-NH2 3.64Å; S209-R212 PolarHBondContact O-N 2.75Å; S209-R212 WeakPolarHBondContact OG-CB 3.03Å; S209-R212 PolarHBondContact OG-N 3.24Å; S209-R212 VanDerWaalsContact OG-N 3.15Å; R212-E214 VanDerWaalsContact C-N 3.3Å; R212-E214 PolarHBondContact O-N 2.99Å; R212-M215 WeakPolarHBondContact O-CB 3.32Å; R212-M215 PolarHBondContact O-N 2.84Å; R212-M215 VanDerWaalsContact O-N 3.09Å; R212-V216 WeakPolarHBondContact O-CG2 3.48Å; R212-V216 PolarHBondContact O-N 3.26Å
213	R	98.9	Very high	98.8	Very high	93 Å²	93	42.6 Å²	42.6	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-38.9	178.5	-65	-178.3	178.3	157	1.7	112.4	D48 V49 S209 P210 E211 V216 R217	D48-R213 IonicContact OD2-CZ 2.72Å; D48-R213 VanDerWaalsContact OD2-CZ 3.28Å; D48-R213 IonicContact OD2-NE 3.37Å; D48-R213 PolarHBondContact OD2-NE 2.77Å; D48-R213 IonicContact OD2-NH2 2.65Å; D48-R213 PolarHBondContact OD2-NH2 3.37Å; V49-R213 HydrophobicContact CG2-CB 3.74Å; V49-R213 HydrophobicContact CG2-CG 3.72Å; S209-R213 PolarHBondContact O-N 3.47Å; P210-R213 PolarHBondContact O-N 3.21Å; E211-R213 VanDerWaalsContact C-N 3.31Å; E211-R213 PolarHBondContact O-N 2.97Å; R213-V216 PolarHBondContact O-N 3.12Å; R213-R217 PolarHBondContact O-N 3.22Å; R213-R217 PolarHBondContact O-NH1 2.86Å
214	E	98.9	Very high	98.8	Very high	82 Å²	82	42.4 Å²	42.4	38%	0.383	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-41.3	173.1	-177.2	54.4	-139.3	0	0	111.9	P210 E211 R212 V216 R217 Q218 R221	P210-E214 PolarHBondContact O-N 3.24Å; E211-E214 PolarHBondContact O-N 2.87Å; R212-E214 VanDerWaalsContact C-N 3.3Å; R212-E214 PolarHBondContact O-N 2.99Å; E214-V216 VanDerWaalsContact C-N 3.29Å; E214-V216 PolarHBondContact O-N 3.25Å; E214-R217 VanDerWaalsContact CA-NH2 3.26Å; E214-R217 WeakPolarHBondContact O-CB 3.36Å; E214-R217 PolarHBondContact O-N 3.16Å; E214-R217 VanDerWaalsContact O-N 3.15Å; E214-R217 IonicContact OE2-CZ 3.36Å; E214-R217 IonicContact OE2-NE 3.7Å; E214-R217 PolarHBondContact OE2-NE 3.15Å; E214-R217 IonicContact OE2-NH2 2.69Å; E214-R217 PolarHBondContact OE2-NH2 2.9Å; E214-Q218 PolarHBondContact O-N 2.85Å; E214-R221 IonicContact OE1-NH1 3.44Å; E214-R221 PolarHBondContact OE1-NH1 3.45Å; E214-R221 IonicContact OE1-NH2 3.12Å
215	M	98.9	Very high	98.8	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-39.2	175.7	-167.2	51.3	63.9	0	0	111.8	K167 W172 E197 P198 T201 E211 R212 R217 Q218 V219	K167-M215 HydrophobicContact CB-CE 3.47Å; K167-M215 VanDerWaalsContact CB-CE 3.47Å; K167-M215 HydrophobicContact CB-SD 4.36Å; K167-M215 HydrophobicContact CD-CE 4.17Å; K167-M215 HydrophobicContact CG-CE 4.49Å; W172-M215 HydrophobicContact CH2-SD 3.81Å; W172-M215 HydrophobicContact CZ2-SD 4.35Å; E197-M215 HydrophobicContact CB-CG 3.79Å; E197-M215 HydrophobicContact CB-SD 3.75Å; E197-M215 HydrophobicContact CG-CE 4.14Å; E197-M215 HydrophobicContact CG-CG 4.16Å; E197-M215 HydrophobicContact CG-SD 3.76Å; P198-M215 HydrophobicContact CB-CB 4.3Å; P198-M215 HydrophobicContact CB-CG 3.9Å; T201-M215 HydrophobicContact CG2-CB 4.13Å; T201-M215 WeakPolarHBondContact OG1-CE 3.37Å; E211-M215 PolarHBondContact O-N 3.23Å; R212-M215 WeakPolarHBondContact O-CB 3.32Å; R212-M215 PolarHBondContact O-N 2.84Å; R212-M215 VanDerWaalsContact O-N 3.09Å; M215-R217 PolarHBondContact O-N 3.46Å; M215-Q218 WeakPolarHBondContact O-CA 3.43Å; M215-Q218 WeakPolarHBondContact O-CB 3.14Å; M215-Q218 PolarHBondContact O-N 2.93Å; M215-Q218 VanDerWaalsContact O-N 3.12Å; M215-Q218 HydrophobicContact SD-CB 4.3Å; M215-V219 WeakPolarHBondContact O-CG2 3.49Å; M215-V219 PolarHBondContact O-N 3.19Å
216	V	98.9	Very high	98.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-38.4	174.5	174.2	0	0	0	0	111.6	F41 Y45 V49 T51 R212 R213 E214 Q218 V219 D220	F41-V216 HydrophobicContact CE2-CG1 4.31Å; F41-V216 HydrophobicContact CZ-CG1 4.08Å; Y45-V216 HydrophobicContact CD2-CG2 4Å; Y45-V216 HydrophobicContact CG-CG2 4.2Å; V49-V216 HydrophobicContact CB-CG1 4.01Å; V49-V216 HydrophobicContact CG1-CB 4.23Å; V49-V216 HydrophobicContact CG1-CG1 3.93Å; V49-V216 HydrophobicContact CG2-CB 4.19Å; V49-V216 HydrophobicContact CG2-CG1 4.13Å; T51-V216 HydrophobicContact CG2-CG1 3.85Å; R212-V216 WeakPolarHBondContact O-CG2 3.48Å; R212-V216 PolarHBondContact O-N 3.26Å; R213-V216 PolarHBondContact O-N 3.12Å; E214-V216 VanDerWaalsContact C-N 3.29Å; E214-V216 PolarHBondContact O-N 3.25Å; V216-Q218 VanDerWaalsContact C-N 3.29Å; V216-Q218 PolarHBondContact O-N 3.48Å; V216-V219 PolarHBondContact O-N 3.15Å; V216-D220 PolarHBondContact O-N 3.17Å
217	R	98.9	Very high	98.9	Very high	83 Å²	83	37.2 Å²	37.2	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-39.2	171.1	-72.3	-175	-73.1	-83	2.7	111.8	V49 R213 E214 M215 D220 R221	V49-R217 HydrophobicContact CG1-CG 3.46Å; V49-R217 VanDerWaalsContact CG1-CG 3.46Å; R213-R217 PolarHBondContact O-N 3.22Å; R213-R217 PolarHBondContact O-NH1 2.86Å; E214-R217 VanDerWaalsContact CA-NH2 3.26Å; E214-R217 WeakPolarHBondContact O-CB 3.36Å; E214-R217 PolarHBondContact O-N 3.16Å; E214-R217 VanDerWaalsContact O-N 3.15Å; E214-R217 IonicContact OE2-CZ 3.36Å; E214-R217 IonicContact OE2-NE 3.7Å; E214-R217 PolarHBondContact OE2-NE 3.15Å; E214-R217 IonicContact OE2-NH2 2.69Å; E214-R217 PolarHBondContact OE2-NH2 2.9Å; M215-R217 PolarHBondContact O-N 3.46Å; R217-D220 PolarHBondContact O-N 2.93Å; R217-R221 WeakPolarHBondContact O-CG 3.4Å; R217-R221 PolarHBondContact O-N 3.28Å
218	Q	98.9	Very high	98.9	Very high	23 Å²	23	42.4 Å²	42.4	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-42.2	174.8	-174.1	174.7	-57	0	0	112.3	K167 E169 W172 E214 M215 V216 D220 R221 T222	K167-Q218 PolarHBondContact O-NE2 3.46Å; E169-Q218 HydrophobicContact CB-CG 4.09Å; E169-Q218 HydrophobicContact CG-CG 3.89Å; W172-Q218 HydrophobicContact CE3-CG 4.17Å; W172-Q218 HydrophobicContact CH2-CG 4.28Å; W172-Q218 HydrophobicContact CZ3-CB 4.43Å; W172-Q218 HydrophobicContact CZ3-CG 3.7Å; E214-Q218 PolarHBondContact O-N 2.85Å; M215-Q218 WeakPolarHBondContact O-CA 3.43Å; M215-Q218 WeakPolarHBondContact O-CB 3.14Å; M215-Q218 PolarHBondContact O-N 2.93Å; M215-Q218 VanDerWaalsContact O-N 3.12Å; M215-Q218 HydrophobicContact SD-CB 4.3Å; V216-Q218 VanDerWaalsContact C-N 3.29Å; V216-Q218 PolarHBondContact O-N 3.48Å; Q218-D220 VanDerWaalsContact C-N 3.34Å; Q218-R221 PolarHBondContact O-N 3.15Å; Q218-T222 WeakPolarHBondContact O-CB 3.49Å; Q218-T222 PolarHBondContact O-N 2.72Å; Q218-T222 PolarHBondContact O-OG1 2.81Å
219	V	98.9	Very high	98.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-47.4	172.4	171.6	0	0	0	0	110.1	F38 F41 W172 M215 V216 R221 T222 V223	F38-V219 HydrophobicContact CD1-CB 4.32Å; F38-V219 HydrophobicContact CD1-CG1 3.76Å; F38-V219 HydrophobicContact CD1-CG2 3.7Å; F38-V219 HydrophobicContact CD2-CG1 3.85Å; F38-V219 HydrophobicContact CE1-CB 4.32Å; F38-V219 HydrophobicContact CE1-CG1 3.8Å; F38-V219 HydrophobicContact CE1-CG2 4.01Å; F38-V219 HydrophobicContact CE2-CG1 3.89Å; F38-V219 HydrophobicContact CG-CG1 3.79Å; F38-V219 HydrophobicContact CG-CG2 4.32Å; F38-V219 HydrophobicContact CZ-CG1 3.87Å; F41-V219 HydrophobicContact CD2-CG1 4.14Å; F41-V219 HydrophobicContact CE2-CB 4.28Å; F41-V219 HydrophobicContact CE2-CG1 3.74Å; W172-V219 HydrophobicContact CH2-CG2 4.08Å; W172-V219 HydrophobicContact CZ3-CG2 4.11Å; M215-V219 WeakPolarHBondContact O-CG2 3.49Å; M215-V219 PolarHBondContact O-N 3.19Å; V216-V219 PolarHBondContact O-N 3.15Å; V219-R221 PolarHBondContact O-N 2.97Å; V219-T222 CarbonylContact O-C 3.59Å; V219-T222 WeakPolarHBondContact O-CA 3.41Å; V219-T222 VanDerWaalsContact O-CB 3.26Å; V219-T222 WeakPolarHBondContact O-CB 3.31Å; V219-T222 PolarHBondContact O-N 2.81Å; V219-V223 HydrophobicContact CG1-CG2 4.48Å; V219-V223 WeakPolarHBondContact O-CG2 3.13Å; V219-V223 PolarHBondContact O-N 3.38Å
220	D	98.9	Very high	98.9	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.032	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-46.4	178.3	-173.1	80.7	0	0	0	112.6	T51 P52 S53 L54 V216 R217 Q218 T222 V223 G224	T51-D220 VanDerWaalsContact CA-OD1 3.29Å; T51-D220 WeakPolarHBondContact CA-OD1 3.25Å; T51-D220 WeakPolarHBondContact CB-OD1 3.34Å; T51-D220 HydrophobicContact CG2-CB 4.17Å; P52-D220 VanDerWaalsContact CD-OD2 3.26Å; P52-D220 WeakPolarHBondContact CD-OD2 3.47Å; S53-D220 WeakPolarHBondContact CA-OD1 3.41Å; S53-D220 VanDerWaalsContact CB-O 3.22Å; S53-D220 WeakPolarHBondContact CB-O 3.49Å; S53-D220 WeakPolarHBondContact CB-OD1 3.39Å; S53-D220 VanDerWaalsContact CB-OD2 3.29Å; S53-D220 WeakPolarHBondContact CB-OD2 3.36Å; S53-D220 PolarHBondContact N-OD1 2.64Å; S53-D220 PolarHBondContact N-OD2 2.88Å; S53-D220 PolarHBondContact OG-O 3.04Å; S53-D220 VanDerWaalsContact OG-O 3.1Å; S53-D220 PolarHBondContact OG-OD2 3.16Å; L54-D220 PolarHBondContact N-OD1 3.01Å; V216-D220 PolarHBondContact O-N 3.17Å; R217-D220 PolarHBondContact O-N 2.93Å; Q218-D220 VanDerWaalsContact C-N 3.34Å; D220-T222 PolarHBondContact O-N 3Å; D220-V223 WeakPolarHBondContact O-CB 3.44Å; D220-V223 PolarHBondContact O-N 2.91Å; D220-V223 VanDerWaalsContact O-N 3.08Å; D220-G224 PolarHBondContact O-N 3.03Å
221	R	98.9	Very high	98.9	Very high	91 Å²	91	36.2 Å²	36.2	34%	0.343	17%	0.169	S	C	.	.	H	α-helix	trans	-56.2	-34.5	173.4	-70	-171.2	-56.2	-94.6	9	112.1	E169 E214 R217 Q218 V219 G224 Y225	E169-R221 IonicContact OE1-NE 2.74Å; E169-R221 IonicContact OE2-CZ 3.98Å; E169-R221 IonicContact OE2-NE 2.73Å; E169-R221 PolarHBondContact OE2-NE 2.89Å; E169-R221 IonicContact OE2-NH2 2.68Å; E169-R221 PolarHBondContact OE2-NH2 2.8Å; E214-R221 IonicContact OE1-NH1 3.44Å; E214-R221 PolarHBondContact OE1-NH1 3.45Å; E214-R221 IonicContact OE1-NH2 3.12Å; R217-R221 WeakPolarHBondContact O-CG 3.4Å; R217-R221 PolarHBondContact O-N 3.28Å; Q218-R221 PolarHBondContact O-N 3.15Å; V219-R221 PolarHBondContact O-N 2.97Å; R221-G224 PolarHBondContact O-N 3.37Å; R221-Y225 PolarHBondContact O-N 2.64Å
222	T	98.9	Very high	98.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-74.5	-36.9	179.1	-55.1	0	0	0	0	111.7	F38 W172 I176 F195 Q218 V219 D220 G224 Y225 L226	F38-T222 HydrophobicContact CE1-CG2 4.41Å; F38-T222 HydrophobicContact CZ-CG2 4.13Å; W172-T222 HydrophobicContact CE3-CG2 4.02Å; W172-T222 VanDerWaalsContact CE3-OG1 3.27Å; I176-T222 HydrophobicContact CD1-CG2 3.53Å; F195-T222 HydrophobicContact CZ-CG2 4.29Å; Q218-T222 WeakPolarHBondContact O-CB 3.49Å; Q218-T222 PolarHBondContact O-N 2.72Å; Q218-T222 PolarHBondContact O-OG1 2.81Å; V219-T222 CarbonylContact O-C 3.59Å; V219-T222 WeakPolarHBondContact O-CA 3.41Å; V219-T222 VanDerWaalsContact O-CB 3.26Å; V219-T222 WeakPolarHBondContact O-CB 3.31Å; V219-T222 PolarHBondContact O-N 2.81Å; D220-T222 PolarHBondContact O-N 3Å; T222-G224 VanDerWaalsContact C-N 3.32Å; T222-Y225 PolarHBondContact O-N 3.26Å; T222-L226 VanDerWaalsContact O-CB 3.3Å; T222-L226 WeakPolarHBondContact O-CB 3.47Å; T222-L226 PolarHBondContact O-N 2.84Å
223	V	98.9	Very high	98.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-45.8	169.4	176.1	0	0	0	0	110.4	F38 L54 M57 V219 D220 L226 R227 I243	F38-V223 HydrophobicContact CE2-CG2 4.36Å; L54-V223 HydrophobicContact CD2-CG1 4.44Å; L54-V223 HydrophobicContact CD2-CG2 4.01Å; L54-V223 HydrophobicContact CG-CG2 4.23Å; M57-V223 HydrophobicContact SD-CG1 4.15Å; V219-V223 HydrophobicContact CG1-CG2 4.48Å; V219-V223 WeakPolarHBondContact O-CG2 3.13Å; V219-V223 PolarHBondContact O-N 3.38Å; D220-V223 WeakPolarHBondContact O-CB 3.44Å; D220-V223 PolarHBondContact O-N 2.91Å; D220-V223 VanDerWaalsContact O-N 3.08Å; V223-L226 PolarHBondContact O-N 2.99Å; V223-R227 WeakPolarHBondContact O-CG 3.38Å; V223-R227 PolarHBondContact O-N 3.46Å; V223-R227 VanDerWaalsContact O-N 3.08Å; V223-I243 HydrophobicContact CB-CD1 4.26Å; V223-I243 HydrophobicContact CG1-CD1 3.81Å; V223-I243 HydrophobicContact CG2-CD1 3.71Å
224	G	98.9	Very high	98.7	Very high	23 Å²	23	43.8 Å²	43.8	24%	0.237	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-50.4	174.9	0	0	0	0	0	112.2	D220 R221 T222 L226 R227 E228	D220-G224 PolarHBondContact O-N 3.03Å; R221-G224 PolarHBondContact O-N 3.37Å; T222-G224 VanDerWaalsContact C-N 3.32Å; G224-L226 VanDerWaalsContact C-N 3.3Å; G224-L226 PolarHBondContact O-N 3.14Å; G224-R227 PolarHBondContact O-N 3.24Å; G224-E228 WeakPolarHBondContact O-CB 3.22Å; G224-E228 PolarHBondContact O-N 3.07Å
225	Y	98.9	Very high	98.7	Very high	27 Å²	27	40.7 Å²	40.7	11%	0.106	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-39	177.1	-175	-106.2	0	0	0	112.7	R173 I176 D177 R221 T222 E228 S229	R173-Y225 HydrophobicContact CB-CD1 4.16Å; R173-Y225 HydrophobicContact CB-CE1 3.7Å; R173-Y225 HydrophobicContact CG-CD1 3.76Å; R173-Y225 HydrophobicContact CG-CE1 3.8Å; R173-Y225 HydrophobicContact CG-CG 4.13Å; I176-Y225 HydrophobicContact CB-CD1 4.3Å; I176-Y225 HydrophobicContact CB-CE1 4.15Å; I176-Y225 HydrophobicContact CD1-CD1 3.95Å; I176-Y225 HydrophobicContact CG2-CD1 4Å; I176-Y225 HydrophobicContact CG2-CE1 3.9Å; D177-Y225 VanDerWaalsContact CG-OH 3.29Å; D177-Y225 WeakPolarHBondContact OD1-CE1 3.21Å; D177-Y225 PolarHBondContact OD1-OH 3.2Å; D177-Y225 PolarHBondContact OD2-OH 3.27Å; R221-Y225 PolarHBondContact O-N 2.64Å; T222-Y225 PolarHBondContact O-N 3.26Å; Y225-E228 PolarHBondContact O-N 3.46Å; Y225-S229 WeakPolarHBondContact CE1-OG 3.49Å; Y225-S229 VanDerWaalsContact O-CB 3.31Å; Y225-S229 WeakPolarHBondContact O-CB 3.3Å; Y225-S229 PolarHBondContact O-N 2.91Å; Y225-S229 PolarHBondContact O-OG 3.15Å; Y225-S229 VanDerWaalsContact O-OG 3.09Å
226	L	98.8	Very high	98.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-46.5	179.1	-173.2	64.6	0	0	0	111.4	L34 V36 I176 M180 T222 V223 G224 S229 I230 L241 I243	L34-L226 HydrophobicContact CD2-CD1 3.9Å; L34-L226 HydrophobicContact CD2-CD2 4.2Å; L34-L226 HydrophobicContact CD2-CG 4.38Å; V36-L226 HydrophobicContact CG2-CD2 3.7Å; I176-L226 HydrophobicContact CB-CD1 4.37Å; I176-L226 HydrophobicContact CD1-CB 4.33Å; I176-L226 HydrophobicContact CD1-CD1 4.1Å; I176-L226 HydrophobicContact CG1-CD1 3.96Å; I176-L226 HydrophobicContact CG2-CD1 3.58Å; M180-L226 HydrophobicContact CE-CD1 4Å; T222-L226 VanDerWaalsContact O-CB 3.3Å; T222-L226 WeakPolarHBondContact O-CB 3.47Å; T222-L226 PolarHBondContact O-N 2.84Å; V223-L226 PolarHBondContact O-N 2.99Å; G224-L226 VanDerWaalsContact C-N 3.3Å; G224-L226 PolarHBondContact O-N 3.14Å; L226-S229 PolarHBondContact O-N 2.76Å; L226-I230 HydrophobicContact CG-CD1 4.27Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.12Å; L226-L241 HydrophobicContact CD2-CD1 3.69Å; L226-L241 HydrophobicContact CD2-CD2 3.96Å; L226-L241 HydrophobicContact CG-CD2 4.44Å; L226-I243 HydrophobicContact CD2-CD1 4.4Å
227	R	98.8	Very high	98.5	Very high	68 Å²	68	49.1 Å²	49.1	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-39.4	177	-66.5	-172.6	70.7	-165.2	-1.9	111.9	D60 V223 G224 I230 A231 L241	D60-R227 IonicContact OD2-CZ 3.23Å; D60-R227 VanDerWaalsContact OD2-CZ 3.23Å; D60-R227 IonicContact OD2-NH1 3.84Å; D60-R227 PolarHBondContact OD2-NH1 3.46Å; D60-R227 IonicContact OD2-NH2 2.72Å; D60-R227 PolarHBondContact OD2-NH2 2.69Å; V223-R227 WeakPolarHBondContact O-CG 3.38Å; V223-R227 PolarHBondContact O-N 3.46Å; V223-R227 VanDerWaalsContact O-N 3.08Å; G224-R227 PolarHBondContact O-N 3.24Å; R227-I230 PolarHBondContact O-N 3.45Å; R227-A231 PolarHBondContact O-N 2.96Å; R227-A231 VanDerWaalsContact O-N 3.1Å; R227-L241 HydrophobicContact CG-CD2 4.27Å
228	E	98.9	Very high	98.4	Very high	108 Å²	108	49.3 Å²	49.3	51%	0.505	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-46.1	173.6	-168.8	-161.4	149.4	0	0	111.2	G224 Y225 I230 A231 R232	G224-E228 WeakPolarHBondContact O-CB 3.22Å; G224-E228 PolarHBondContact O-N 3.07Å; Y225-E228 PolarHBondContact O-N 3.46Å; E228-I230 PolarHBondContact O-N 3.24Å; E228-A231 PolarHBondContact O-N 3.08Å; E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.3Å; E228-R232 IonicContact OE1-CZ 3.73Å; E228-R232 IonicContact OE1-NE 3.93Å; E228-R232 IonicContact OE1-NH2 2.72Å; E228-R232 PolarHBondContact OE1-NH2 3.19Å; E228-R232 IonicContact OE2-NH2 3.81Å
229	S	98.8	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-37.7	179.2	-70.7	0	0	0	0	112.3	Y225 L226 R232 N233	Y225-S229 WeakPolarHBondContact CE1-OG 3.49Å; Y225-S229 VanDerWaalsContact O-CB 3.31Å; Y225-S229 WeakPolarHBondContact O-CB 3.3Å; Y225-S229 PolarHBondContact O-N 2.91Å; Y225-S229 PolarHBondContact O-OG 3.15Å; Y225-S229 VanDerWaalsContact O-OG 3.09Å; L226-S229 PolarHBondContact O-N 2.76Å; S229-R232 PolarHBondContact O-N 3.22Å; S229-R232 PolarHBondContact OG-NH1 3.32Å; S229-N233 PolarHBondContact O-N 3.03Å; S229-N233 VanDerWaalsContact O-N 3.11Å; S229-N233 PolarHBondContact O-ND2 2.92Å
230	I	98.8	Very high	98.4	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-47.4	171.6	-71.7	162.4	0	0	0	110.6	M180 L226 R227 E228 N233 H234 L235 L239 L241	M180-I230 HydrophobicContact CE-CG1 3.99Å; M180-I230 HydrophobicContact SD-CG1 3.96Å; L226-I230 HydrophobicContact CG-CD1 4.27Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.12Å; R227-I230 PolarHBondContact O-N 3.45Å; E228-I230 PolarHBondContact O-N 3.24Å; I230-N233 PolarHBondContact O-N 3.26Å; I230-H234 PolarHBondContact O-N 3.36Å; I230-L235 HydrophobicContact CG2-CB 3.93Å; I230-L235 PolarHBondContact O-N 3.03Å; I230-L239 HydrophobicContact CD1-CD2 3.76Å; I230-L239 HydrophobicContact CG1-CD2 4.13Å; I230-L239 HydrophobicContact CG2-CD2 4.43Å; I230-L241 HydrophobicContact CD1-CB 4.37Å; I230-L241 HydrophobicContact CD1-CD2 3.95Å
231	A	98.6	Very high	98.4	Very high	47 Å²	47	48.2 Å²	48.2	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-41.9	178.9	0	0	0	0	0	112.4	R227 E228 N233 H234 T236	R227-A231 PolarHBondContact O-N 2.96Å; R227-A231 VanDerWaalsContact O-N 3.1Å; E228-A231 PolarHBondContact O-N 3.08Å; A231-N233 PolarHBondContact O-N 3.17Å; A231-H234 PolarHBondContact O-N 2.95Å; A231-T236 WeakPolarHBondContact CA-OG1 3.23Å
232	R	98.5	Very high	98.4	Very high	116 Å²	116	43.9 Å²	43.9	44%	0.438	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-30	177.9	-162.1	-172	-53.1	128.9	3.6	112.6	E228 S229	E228-R232 WeakPolarHBondContact O-CB 3.45Å; E228-R232 PolarHBondContact O-N 3.3Å; E228-R232 IonicContact OE1-CZ 3.73Å; E228-R232 IonicContact OE1-NE 3.93Å; E228-R232 IonicContact OE1-NH2 2.72Å; E228-R232 PolarHBondContact OE1-NH2 3.19Å; E228-R232 IonicContact OE2-NH2 3.81Å; S229-R232 PolarHBondContact O-N 3.22Å; S229-R232 PolarHBondContact OG-NH1 3.32Å
233	N	97.9	Very high	98.4	Very high	56 Å²	56	43.9 Å²	43.9	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	10	176.3	-71.9	-82.5	0	0	0	113.4	S229 I230 A231 L235	S229-N233 PolarHBondContact O-N 3.03Å; S229-N233 VanDerWaalsContact O-N 3.11Å; S229-N233 PolarHBondContact O-ND2 2.92Å; I230-N233 PolarHBondContact O-N 3.26Å; A231-N233 PolarHBondContact O-N 3.17Å; N233-L235 HydrophobicContact CB-CD1 4.04Å; N233-L235 HydrophobicContact CB-CG 4.17Å; N233-L235 PolarHBondContact O-N 2.9Å
234	H	97.4	Very high	98.4	Very high	161 Å²	161	43.8 Å²	43.8	75%	0.745	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	31	-179.7	-48.6	-62.2	0	0	0	114	I230 A231	I230-H234 PolarHBondContact O-N 3.36Å; A231-H234 PolarHBondContact O-N 2.95Å
235	L	97.4	Very high	98.4	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.084	21%	0.21	C	C	.	.			trans	-99.8	-3.7	-177	-69.4	174.2	0	0	0	113.5	K32 M180 F183 I230 N233 D237 H238 L239	K32-L235 HydrophobicContact CD-CD2 4.48Å; M180-L235 HydrophobicContact SD-CD1 4.4Å; F183-L235 HydrophobicContact CB-CD1 3.88Å; I230-L235 HydrophobicContact CG2-CB 3.93Å; I230-L235 PolarHBondContact O-N 3.03Å; N233-L235 HydrophobicContact CB-CD1 4.04Å; N233-L235 HydrophobicContact CB-CG 4.17Å; N233-L235 PolarHBondContact O-N 2.9Å; L235-D237 VanDerWaalsContact C-N 3.3Å; L235-D237 PolarHBondContact O-N 2.71Å; L235-H238 CarbonylContact O-C 3.52Å; L235-H238 PolarHBondContact O-N 3.03Å; L235-L239 HydrophobicContact CB-CB 3.95Å; L235-L239 HydrophobicContact CB-CD1 4.42Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.25Å; L235-L239 PolarHBondContact O-N 2.96Å
236	T	97.8	Very high	98.4	Very high	70 Å²	70	41.6 Å²	41.6	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-43.8	-175.4	-61.6	0	0	0	0	113.5	A231 H238	A231-T236 WeakPolarHBondContact CA-OG1 3.23Å; T236-H238 VanDerWaalsContact C-N 3.32Å
237	D	96.8	Very high	98.4	Very high	120 Å²	120	41.5 Å²	41.5	64%	0.642	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	2.2	-178	-58.6	-44.9	0	0	0	113.1	L235	L235-D237 VanDerWaalsContact C-N 3.3Å; L235-D237 PolarHBondContact O-N 2.71Å
238	H	96.9	Very high	98.4	Very high	87 Å²	87	38.2 Å²	38.2	40%	0.403	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	1.5	-172.3	-63.3	-59.6	0	0	0	114	N31 K32 L235 T236	N31-H238 CarbonylContact C-O 3.57Å; N31-H238 VanDerWaalsContact CA-O 3.31Å; N31-H238 WeakPolarHBondContact CA-O 3.15Å; K32-H238 PolarHBondContact N-O 3.34Å; L235-H238 CarbonylContact O-C 3.52Å; L235-H238 PolarHBondContact O-N 3.03Å; T236-H238 VanDerWaalsContact C-N 3.32Å
239	L	98.6	Very high	98.4	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.8	-178.9	-176.4	148.3	0	0	0	110.4	K32 L34 F183 I230 L235 L241 P371	K32-L239 HydrophobicContact CB-CB 4.46Å; K32-L239 HydrophobicContact CB-CD1 4.39Å; K32-L239 HydrophobicContact CB-CG 4.42Å; K32-L239 CarbonylContact O-C 3.49Å; K32-L239 WeakPolarHBondContact O-CA 3.45Å; L34-L239 HydrophobicContact CB-CD1 4.43Å; L34-L239 HydrophobicContact CB-CD2 4Å; F183-L239 HydrophobicContact CD1-CD1 4.36Å; F183-L239 HydrophobicContact CD2-CD1 3.78Å; F183-L239 HydrophobicContact CE1-CD1 4.28Å; F183-L239 HydrophobicContact CE2-CD1 3.69Å; F183-L239 HydrophobicContact CG-CD1 4.12Å; F183-L239 HydrophobicContact CZ-CD1 3.94Å; I230-L239 HydrophobicContact CD1-CD2 3.76Å; I230-L239 HydrophobicContact CG1-CD2 4.13Å; I230-L239 HydrophobicContact CG2-CD2 4.43Å; L235-L239 HydrophobicContact CB-CB 3.95Å; L235-L239 HydrophobicContact CB-CD1 4.42Å; L235-L239 HydrophobicContact CD1-CD1 4.04Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.25Å; L235-L239 PolarHBondContact O-N 2.96Å; L239-L241 HydrophobicContact CD2-CB 4.2Å; L239-P371 WeakPolarHBondContact O-CD 3.45Å
240	N	98.9	Very high	98.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.6	167.8	-71.9	-55.9	0	0	0	109.5	N31 K32 L33 L34 P371 S372 F373	N31-N240 WeakPolarHBondContact CB-ND2 3.43Å; K32-N240 PolarHBondContact O-N 3.38Å; L33-N240 WeakPolarHBondContact CA-O 3.46Å; L33-N240 HydrophobicContact CD1-CB 3.99Å; L34-N240 PolarHBondContact N-O 2.83Å; N240-P371 WeakPolarHBondContact OD1-CD 3.3Å; N240-S372 WeakPolarHBondContact ND2-CB 3.49Å; N240-S372 PolarHBondContact ND2-OG 2.82Å; N240-S372 WeakPolarHBondContact OD1-CB 3.23Å; N240-S372 PolarHBondContact OD1-N 3.28Å; N240-F373 HydrophobicContact CB-CD2 4.34Å; N240-F373 HydrophobicContact CB-CE2 4.02Å
241	L	98.9	Very high	98.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.1	178.1	169.8	62.9	0	0	0	109.6	L34 V36 M57 L226 R227 I230 L239 I243 A368 V369	L34-L241 HydrophobicContact CB-CD1 4.18Å; L34-L241 HydrophobicContact CD2-CD1 3.94Å; L34-L241 HydrophobicContact CG-CD1 3.89Å; L34-L241 WeakPolarHBondContact O-CA 3.26Å; V36-L241 HydrophobicContact CG2-CD1 3.86Å; M57-L241 HydrophobicContact CE-CD2 4.26Å; M57-L241 HydrophobicContact CE-CG 4.2Å; L226-L241 HydrophobicContact CD2-CD1 3.69Å; L226-L241 HydrophobicContact CD2-CD2 3.96Å; L226-L241 HydrophobicContact CG-CD2 4.44Å; R227-L241 HydrophobicContact CG-CD2 4.27Å; I230-L241 HydrophobicContact CD1-CB 4.37Å; I230-L241 HydrophobicContact CD1-CD2 3.95Å; L239-L241 HydrophobicContact CD2-CB 4.2Å; L241-I243 HydrophobicContact CD1-CG1 3.97Å; L241-I243 HydrophobicContact CD2-CD1 4.21Å; L241-I243 HydrophobicContact CD2-CG1 4.27Å; L241-I243 HydrophobicContact CG-CG1 4.07Å; L241-A368 CarbonylContact O-C 3.49Å; L241-A368 VanDerWaalsContact O-CA 3.24Å; L241-A368 WeakPolarHBondContact O-CA 3.28Å; L241-V369 HydrophobicContact CB-CG1 4.08Å; L241-V369 HydrophobicContact CD2-CG1 4.12Å; L241-V369 HydrophobicContact CG-CG1 4.41Å; L241-V369 PolarHBondContact N-O 3.03Å; L241-V369 PolarHBondContact O-N 3.03Å
242	I	99	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.4	167.5	-60.9	175.7	0	0	0	107.8	L33 L34 L35 V36 F366 R367 A368 F373 L390 M391 L394	L33-I242 HydrophobicContact CD1-CD1 4.1Å; L33-I242 HydrophobicContact CD1-CG1 4.26Å; L34-I242 PolarHBondContact O-N 2.88Å; L35-I242 HydrophobicContact CD1-CB 3.89Å; L35-I242 HydrophobicContact CD1-CG2 3.62Å; V36-I242 PolarHBondContact N-O 3.01Å; I242-F366 HydrophobicContact CD1-CZ 4.45Å; I242-F366 HydrophobicContact CG2-CD2 4.16Å; I242-F366 HydrophobicContact CG2-CE2 3.57Å; I242-F366 HydrophobicContact CG2-CZ 4Å; I242-R367 CarbonylContact C-O 3.57Å; I242-R367 WeakPolarHBondContact CA-O 3.26Å; I242-A368 HydrophobicContact CG1-CB 4.14Å; I242-F373 HydrophobicContact CD1-CZ 4.22Å; I242-F373 HydrophobicContact CG1-CE2 4.26Å; I242-F373 HydrophobicContact CG1-CZ 4.05Å; I242-L390 HydrophobicContact CD1-CD2 4.39Å; I242-M391 HydrophobicContact CD1-CG 4.05Å; I242-L394 HydrophobicContact CD1-CD1 4.12Å
243	I	99	Very high	98	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.3	167.8	-59.1	-173.2	0	0	0	107.6	V36 F38 M57 V223 L226 L241 I365 R367	V36-I243 HydrophobicContact CB-CG1 4.28Å; V36-I243 WeakPolarHBondContact O-CA 3.3Å; F38-I243 HydrophobicContact CD2-CG2 3.86Å; F38-I243 HydrophobicContact CE2-CG2 3.95Å; M57-I243 HydrophobicContact CE-CB 4.18Å; M57-I243 HydrophobicContact CE-CD1 4.13Å; M57-I243 HydrophobicContact CE-CG1 3.89Å; M57-I243 HydrophobicContact SD-CB 4.5Å; M57-I243 HydrophobicContact SD-CD1 3.7Å; M57-I243 HydrophobicContact SD-CG1 4.12Å; V223-I243 HydrophobicContact CB-CD1 4.26Å; V223-I243 HydrophobicContact CG1-CD1 3.81Å; V223-I243 HydrophobicContact CG2-CD1 3.71Å; L226-I243 HydrophobicContact CD2-CD1 4.4Å; L241-I243 HydrophobicContact CD1-CG1 3.97Å; L241-I243 HydrophobicContact CD2-CD1 4.21Å; L241-I243 HydrophobicContact CD2-CG1 4.27Å; L241-I243 HydrophobicContact CG-CG1 4.07Å; I243-I365 HydrophobicContact CG2-CD1 4.41Å; I243-R367 HydrophobicContact CB-CB 4.42Å; I243-R367 PolarHBondContact N-O 3.39Å; I243-R367 PolarHBondContact O-N 3.05Å; I243-R367 VanDerWaalsContact O-O 3.1Å
244	T	98.9	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-177.5	-179	-167.3	0	0	0	0	109.5	L35 V36 S37 F38 M67 L82 I365	L35-T244 HydrophobicContact CD1-CG2 3.72Å; V36-T244 PolarHBondContact O-N 2.87Å; S37-T244 WeakPolarHBondContact CA-O 3.42Å; F38-T244 PolarHBondContact N-O 2.85Å; M67-T244 WeakPolarHBondContact CE-OG1 3.48Å; L82-T244 HydrophobicContact CD1-CG2 4Å; T244-I365 WeakPolarHBondContact CA-O 3.41Å; T244-I365 PolarHBondContact OG1-O 2.85Å
245	S	98.9	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.			trans	-141.6	-178	163.8	171.8	0	0	0	0	108.9	F38 G40 F41 M67 H247 T364 I365	F38-S245 WeakPolarHBondContact O-CB 3.36Å; F38-S245 PolarHBondContact O-OG 3.27Å; G40-S245 PolarHBondContact N-OG 3.23Å; F41-S245 PolarHBondContact N-OG 2.85Å; M67-S245 VanDerWaalsContact CE-O 3.31Å; M67-S245 WeakPolarHBondContact CE-O 3.27Å; S245-H247 PolarHBondContact OG-O 3.18Å; S245-T364 WeakPolarHBondContact CB-OG1 3.43Å; S245-T364 PolarHBondContact OG-OG1 3.45Å; S245-I365 PolarHBondContact N-O 3.19Å
246	D	98.9	Very high	96.3	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.186	C	C	.	.	S	Bend	trans	-102.9	-35.4	-172.2	56.5	-20.6	0	0	0	113.2	G40 P69 T75 C78 H79	G40-D246 PolarHBondContact N-OD1 3.22Å; P69-D246 WeakPolarHBondContact CB-O 3.41Å; T75-D246 VanDerWaalsContact CA-OD2 3.22Å; T75-D246 WeakPolarHBondContact CA-OD2 3.07Å; C78-D246 HydrophobicContact CB-CB 3.82Å; C78-D246 WeakPolarHBondContact CB-O 3.48Å; H79-D246 VanDerWaalsContact CE1-CB 3.45Å; H79-D246 WeakPolarHBondContact CE1-CB 3.46Å; H79-D246 IonicContact CE1-OD1 3.89Å; H79-D246 IonicContact CE1-OD2 3.62Å; H79-D246 PolarHBondContact CE1-OD2 2.86Å; H79-D246 WeakPolarHBondContact ND1-CB 3.31Å; H79-D246 IonicContact ND1-OD2 3.12Å; H79-D246 PolarHBondContact ND1-OD2 2.97Å
247	H	98.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.			trans	-156.6	177	175.4	49.5	72.7	0	0	0	111.9	D39 G40 F41 T73 T75 D199 S245 H353 T364	D39-H247 IonicContact OD1-CE1 3.86Å; D39-H247 PolarHBondContact OD1-CE1 3.38Å; D39-H247 IonicContact OD1-NE2 2.73Å; G40-H247 CarbonylContact C-O 3.44Å; G40-H247 WeakPolarHBondContact CA-O 3.31Å; F41-H247 PolarHBondContact N-O 3.49Å; T73-H247 PolarHBondContact O-CD2 3.28Å; T75-H247 PolarHBondContact N-NE2 3.3Å; T75-H247 PolarHBondContact OG1-NE2 2.84Å; D199-H247 IonicContact OD1-CE1 3.18Å; S245-H247 PolarHBondContact OG-O 3.18Å; H247-H353 AromaticContact CD2-ND1 3.77Å; H247-H353 AromaticContact CE1-CD2 3.32Å; H247-H353 PolarHBondContact CE1-CD2 3.05Å; H247-H353 AromaticContact CE1-CE1 3.42Å; H247-H353 PolarHBondContact CE1-CE1 3.42Å; H247-H353 VanDerWaalsContact CE1-CE1 3.42Å; H247-H353 AromaticContact CE1-CG 3.32Å; H247-H353 AromaticContact CE1-ND1 3.37Å; H247-H353 PolarHBondContact CE1-ND1 2.92Å; H247-H353 AromaticContact CE1-NE2 3.44Å; H247-H353 PolarHBondContact CE1-NE2 2.96Å; H247-H353 AromaticContact CG-ND1 3.98Å; H247-H353 AromaticContact ND1-CD2 3.86Å; H247-H353 AromaticContact ND1-CG 3.48Å; H247-H353 AromaticContact ND1-ND1 3.73Å; H247-H353 AromaticContact NE2-CD2 3.95Å; H247-H353 AromaticContact NE2-CE1 3.23Å; H247-H353 PolarHBondContact NE2-CE1 2.95Å; H247-H353 AromaticContact NE2-CG 3.79Å; H247-H353 AromaticContact NE2-ND1 3.33Å; H247-H353 PolarHBondContact NE2-ND1 3.16Å; H247-H353 AromaticContact NE2-NE2 3.66Å; H247-T364 PolarHBondContact O-OG1 2.74Å
248	G	98.9	Very high	96	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.			trans	-93.5	-152	167	0	0	0	0	0	112.7	D361 M362	G248-D361 CarbonylContact C-O 3.56Å; G248-D361 VanDerWaalsContact CA-O 3.26Å; G248-D361 WeakPolarHBondContact CA-O 3.41Å; G248-M362 PolarHBondContact N-O 2.89Å
249	M	98.9	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.			trans	-161.1	138	-175.3	-174.8	70.3	67.7	0	0	109.9	R42 Y45 D199 P207 E352 H353 D361	R42-M249 WeakPolarHBondContact CD-O 3.34Å; R42-M249 PolarHBondContact NH1-O 3.32Å; Y45-M249 WeakPolarHBondContact OH-CB 3.48Å; D199-M249 WeakPolarHBondContact OD1-CE 3.5Å; P207-M249 HydrophobicContact CB-CB 4.15Å; P207-M249 HydrophobicContact CB-CG 3.87Å; P207-M249 HydrophobicContact CG-CG 4.19Å; M249-E352 VanDerWaalsContact SD-CA 3.55Å; M249-E352 PolarHBondContact SD-N 3.13Å; M249-H353 HydrophobicContact SD-CB 4.48Å; M249-D361 PolarHBondContact N-O 2.98Å
250	T	98.8	Very high	96	Very high	10 Å²	10	31.4 Å²	31.4	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.4	173.9	-163.8	0	0	0	0	111.3	P207 L336 G351 E352 F355 D361 M362	P207-T250 VanDerWaalsContact CG-C 3.48Å; T250-L336 HydrophobicContact CG2-CD1 3.58Å; T250-L336 HydrophobicContact CG2-CG 3.99Å; T250-G351 CarbonylContact O-C 3.46Å; T250-G351 WeakPolarHBondContact O-CA 3.28Å; T250-E352 PolarHBondContact N-O 3.22Å; T250-E352 PolarHBondContact O-N 3.31Å; T250-F355 HydrophobicContact CG2-CD2 3.67Å; T250-F355 HydrophobicContact CG2-CE2 3.28Å; T250-F355 HydrophobicContact CG2-CZ 3.89Å; T250-D361 VanDerWaalsContact CB-OD2 3.3Å; T250-D361 WeakPolarHBondContact CB-OD2 3.44Å; T250-D361 PolarHBondContact OG1-OD2 3.14Å; T250-M362 HydrophobicContact CG2-CE 4.28Å
251	T	98.8	Very high	95.9	Very high	65 Å²	65	32.2 Å²	32.2	40%	0.399	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.4	176.6	-59.2	0	0	0	0	109.8	P207 G337	P207-T251 WeakPolarHBondContact CD-OG1 2.97Å; P207-T251 WeakPolarHBondContact CG-OG1 3.14Å; T251-G337 WeakPolarHBondContact O-CA 3.44Å
252	V	98.1	Very high	95.9	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.115	19%	0.186	C	C	.	.			trans	-84.4	125.5	172.1	179.3	0	0	0	0	109.8	K254 G337 V339 N350 E352	V252-K254 HydrophobicContact CG1-CG 4.32Å; V252-K254 PolarHBondContact O-N 2.84Å; V252-K254 VanDerWaalsContact O-N 3.12Å; V252-G337 WeakPolarHBondContact CA-O 3.4Å; V252-V339 HydrophobicContact CG1-CG1 4.31Å; V252-V339 HydrophobicContact CG2-CG1 4.13Å; V252-N350 PolarHBondContact N-O 3.42Å; V252-E352 HydrophobicContact CG2-CB 3.43Å; V252-E352 VanDerWaalsContact CG2-CB 3.43Å
253	D	90.6	Very high	95.9	Very high	74 Å²	74	36 Å²	36	40%	0.396	20%	0.204	S	C	.	.			trans	-80.8	93.5	174.9	-169.8	-10.2	0	0	0	110.7	Q255 A256 G337	D253-Q255 VanDerWaalsContact C-N 3.28Å; D253-Q255 PolarHBondContact O-N 3.44Å; D253-Q255 PolarHBondContact OD1-N 3.12Å; D253-A256 HydrophobicContact CB-CB 4.19Å; D253-A256 PolarHBondContact OD1-N 3.35Å; D253-G337 PolarHBondContact N-O 3.2Å
254	K	84.3	Confident	95.9	Very high	100 Å²	100	42.3 Å²	42.3	44%	0.435	23%	0.232	S	C	.	.	S	Bend	trans	-77.2	-13.4	177.1	-61.9	178.7	179.1	178.7	0	113.8	V252 F348 N349 N350	V252-K254 HydrophobicContact CG1-CG 4.32Å; V252-K254 PolarHBondContact O-N 2.84Å; V252-K254 VanDerWaalsContact O-N 3.12Å; K254-F348 WeakPolarHBondContact CE-O 3.49Å; K254-F348 PolarHBondContact NZ-O 3.44Å; K254-N349 WeakPolarHBondContact CE-O 3.48Å; K254-N349 PolarHBondContact NZ-O 3.4Å; K254-N350 PolarHBondContact NZ-OD1 2.78Å
255	Q	85.7	Confident	95.8	Very high	183 Å²	183	43.2 Å²	43.2	86%	0.855	24%	0.236	S	C	*	.	S	Bend	trans	-98.5	-12.1	-176.3	-62.7	-171.2	3.4	0	0	112.2	D253 G257	D253-Q255 VanDerWaalsContact C-N 3.28Å; D253-Q255 PolarHBondContact O-N 3.44Å; D253-Q255 PolarHBondContact OD1-N 3.12Å; Q255-G257 PolarHBondContact O-N 3.04Å
256	A	87.4	Confident	95.8	Very high	14 Å²	14	49 Å²	49	12%	0.116	27%	0.273	C	S	.	.			trans	-47.5	126.1	170.1	0	0	0	0	0	111.7	D253 D258 L259 Y338	D253-A256 HydrophobicContact CB-CB 4.19Å; D253-A256 PolarHBondContact OD1-N 3.35Å; A256-D258 PolarHBondContact O-N 2.93Å; A256-L259 HydrophobicContact CB-CD2 4.11Å; A256-Y338 HydrophobicContact CB-CE1 3.75Å; A256-Y338 VanDerWaalsContact CB-OH 3.25Å; A256-Y338 WeakPolarHBondContact CB-OH 3.42Å
257	G	90.6	Very high	95.7	Very high	87 Å²	87	55.2 Å²	55.2	90%	0.897	31%	0.307	S	S	*	.	S	Bend	trans	-76.1	-10.4	177.3	0	0	0	0	0	113.9	Q255	Q255-G257 PolarHBondContact O-N 3.04Å
258	D	96.1	Very high	95.7	Very high	59 Å²	59	56.1 Å²	56.1	32%	0.316	31%	0.311	S	S	.	.	S	Bend	trans	-116.1	52.2	-174.1	65.3	-28.5	0	0	0	111.6	A256 H304 K306 Y338	A256-D258 PolarHBondContact O-N 2.93Å; D258-H304 PolarHBondContact O-CE1 2.76Å; D258-H304 PolarHBondContact O-NE2 2.97Å; D258-K306 IonicContact OD1-NZ 2.87Å; D258-K306 IonicContact OD2-NZ 2.99Å; D258-K306 PolarHBondContact OD2-NZ 3.27Å; D258-Y338 VanDerWaalsContact O-CE1 3.28Å; D258-Y338 WeakPolarHBondContact O-CE1 3.44Å; D258-Y338 WeakPolarHBondContact OD1-CE1 3.34Å; D258-Y338 PolarHBondContact OD1-OH 3.22Å
259	L	97.4	Very high	95.7	Very high	42 Å²	42	58.4 Å²	58.4	22%	0.22	32%	0.324	C	S	.	.			trans	-63.7	146.7	176.1	-59.9	-179.7	0	0	0	111.5	A256 E261	A256-L259 HydrophobicContact CB-CD2 4.11Å; L259-E261 HydrophobicContact CB-CG 3.84Å; L259-E261 PolarHBondContact O-N 3.13Å
260	V	98.3	Very high	95.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	91.1	175.1	-175.7	0	0	0	0	109.4	F265 L307 Y338 I340 H341	V260-F265 HydrophobicContact CG1-CZ 4.18Å; V260-L307 HydrophobicContact CG1-CB 3.96Å; V260-L307 HydrophobicContact CG1-CD1 4.12Å; V260-L307 HydrophobicContact CG1-CD2 3.91Å; V260-L307 HydrophobicContact CG1-CG 4.2Å; V260-Y338 HydrophobicContact CG2-CD1 4.39Å; V260-I340 HydrophobicContact CG1-CG1 4.44Å; V260-I340 HydrophobicContact CG1-CG2 4.43Å; V260-H341 WeakPolarHBondContact O-CB 3.44Å; V260-H341 PolarHBondContact O-N 3.04Å
261	E	98.4	Very high	95.6	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.5	-172.8	-69	175.1	104.2	0	0	112.4	L259 H263 K264 H341 N345	L259-E261 HydrophobicContact CB-CG 3.84Å; L259-E261 PolarHBondContact O-N 3.13Å; E261-H263 PolarHBondContact O-N 3.12Å; E261-H263 IonicContact OE1-CE1 3.6Å; E261-H263 PolarHBondContact OE1-CE1 2.97Å; E261-H263 IonicContact OE1-NE2 3.44Å; E261-H263 PolarHBondContact OE1-NE2 2.85Å; E261-K264 HydrophobicContact CB-CB 4.25Å; E261-K264 HydrophobicContact CB-CD 4.11Å; E261-K264 HydrophobicContact CB-CG 4.03Å; E261-K264 VanDerWaalsContact CD-NZ 3.33Å; E261-K264 PolarHBondContact O-N 3.49Å; E261-K264 WeakPolarHBondContact OE1-CE 3.43Å; E261-K264 IonicContact OE1-NZ 3.61Å; E261-K264 PolarHBondContact OE1-NZ 3.09Å; E261-K264 VanDerWaalsContact OE2-CD 3.3Å; E261-K264 WeakPolarHBondContact OE2-CD 3.31Å; E261-K264 WeakPolarHBondContact OE2-CE 3.46Å; E261-K264 IonicContact OE2-NZ 2.71Å; E261-K264 PolarHBondContact OE2-NZ 2.78Å; E261-H341 HydrophobicContact CG-CB 4.18Å; E261-N345 PolarHBondContact OE1-ND2 2.9Å; E261-N345 PolarHBondContact OE1-OD1 2.97Å
262	F	98.7	Very high	95.6	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.8	-178.7	-90.4	-114.7	0	0	0	113.4	K264 F265 F268 F270 L278 L286 L300 L307 M332 I340 H341 G342	F262-K264 PolarHBondContact O-N 3Å; F262-F265 HydrophobicContact CB-CD2 4.37Å; F262-F265 HydrophobicContact CB-CE2 4.45Å; F262-F265 HydrophobicContact CD1-CD2 4.37Å; F262-F265 HydrophobicContact CD1-CE2 4.43Å; F262-F265 HydrophobicContact CD2-CD2 4.31Å; F262-F265 AromaticContact CD2-CE2 3.67Å; F262-F265 HydrophobicContact CD2-CE2 3.67Å; F262-F265 HydrophobicContact CD2-CZ 4.48Å; F262-F265 AromaticContact CE2-CE2 3.85Å; F262-F265 HydrophobicContact CE2-CE2 3.85Å; F262-F265 HydrophobicContact CG-CD2 4.12Å; F262-F265 AromaticContact CG-CE2 3.95Å; F262-F265 HydrophobicContact CG-CE2 3.95Å; F262-F265 HydrophobicContact CZ-CE2 4.28Å; F262-F265 PolarHBondContact O-N 3.2Å; F262-F268 HydrophobicContact CB-CE1 4.38Å; F262-F268 HydrophobicContact CD1-CD1 4.03Å; F262-F268 AromaticContact CD1-CE1 3.61Å; F262-F268 HydrophobicContact CD1-CE1 3.61Å; F262-F268 HydrophobicContact CD1-CE2 4.31Å; F262-F268 AromaticContact CD1-CZ 3.75Å; F262-F268 HydrophobicContact CD1-CZ 3.75Å; F262-F268 HydrophobicContact CE1-CE1 4.43Å; F262-F268 HydrophobicContact CE1-CE2 4.36Å; F262-F268 HydrophobicContact CE1-CZ 4.18Å; F262-F268 HydrophobicContact CG-CE1 4.5Å; F262-F270 HydrophobicContact CB-CE2 4.09Å; F262-F270 HydrophobicContact CB-CZ 3.74Å; F262-F270 HydrophobicContact CD1-CZ 4.22Å; F262-F270 HydrophobicContact CG-CZ 4.35Å; F262-L278 HydrophobicContact CD1-CD1 3.97Å; F262-L278 HydrophobicContact CD2-CD1 4.44Å; F262-L278 HydrophobicContact CE1-CD1 4.2Å; F262-L278 HydrophobicContact CG-CD1 4.13Å; F262-L278 HydrophobicContact CZ-CD2 4.4Å; F262-L286 HydrophobicContact CE1-CD1 4.02Å; F262-L300 HydrophobicContact CD1-CD2 4.09Å; F262-L300 HydrophobicContact CE1-CD1 3.78Å; F262-L300 HydrophobicContact CE1-CD2 3.52Å; F262-L300 HydrophobicContact CE1-CG 4.32Å; F262-L300 HydrophobicContact CZ-CD1 4.27Å; F262-L300 HydrophobicContact CZ-CD2 3.96Å; F262-L307 HydrophobicContact CE2-CD2 3.69Å; F262-L307 HydrophobicContact CZ-CD2 3.93Å; F262-M332 HydrophobicContact CE1-SD 4.39Å; F262-M332 HydrophobicContact CE2-SD 3.91Å; F262-M332 HydrophobicContact CZ-CE 3.99Å; F262-M332 HydrophobicContact CZ-SD 3.37Å; F262-M332 WeakPolarHBondContact CZ-SD 3.45Å; F262-I340 HydrophobicContact CD2-CG2 3.85Å; F262-I340 HydrophobicContact CE2-CG2 3.54Å; F262-H341 WeakPolarHBondContact CB-O 3.2Å; F262-H341 WeakPolarHBondContact CD2-O 3.41Å; F262-H341 PolarHBondContact N-O 2.86Å; F262-G342 WeakPolarHBondContact CB-O 3.25Å
263	H	98.3	Very high	95.7	Very high	82 Å²	82	63.9 Å²	63.9	38%	0.38	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10.8	177.4	60.9	83.7	0	0	0	114.2	E261 G342 R343 N345	E261-H263 PolarHBondContact O-N 3.12Å; E261-H263 IonicContact OE1-CE1 3.6Å; E261-H263 PolarHBondContact OE1-CE1 2.97Å; E261-H263 IonicContact OE1-NE2 3.44Å; E261-H263 PolarHBondContact OE1-NE2 2.85Å; H263-G342 PolarHBondContact CD2-O 3.44Å; H263-G342 PolarHBondContact N-O 3.34Å; H263-R343 WeakPolarHBondContact CB-O 3.29Å; H263-N345 PolarHBondContact NE2-OD1 3.27Å
264	K	98.1	Very high	96.1	Very high	132 Å²	132	65.6 Å²	65.6	57%	0.574	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-100.8	-5.2	174	-62.5	-171.1	-178.1	167.8	0	113.9	E261 F262 P266	E261-K264 HydrophobicContact CB-CB 4.25Å; E261-K264 HydrophobicContact CB-CD 4.11Å; E261-K264 HydrophobicContact CB-CG 4.03Å; E261-K264 VanDerWaalsContact CD-NZ 3.33Å; E261-K264 PolarHBondContact O-N 3.49Å; E261-K264 WeakPolarHBondContact OE1-CE 3.43Å; E261-K264 IonicContact OE1-NZ 3.61Å; E261-K264 PolarHBondContact OE1-NZ 3.09Å; E261-K264 VanDerWaalsContact OE2-CD 3.3Å; E261-K264 WeakPolarHBondContact OE2-CD 3.31Å; E261-K264 WeakPolarHBondContact OE2-CE 3.46Å; E261-K264 IonicContact OE2-NZ 2.71Å; E261-K264 PolarHBondContact OE2-NZ 2.78Å; F262-K264 PolarHBondContact O-N 3Å; K264-P266 VanDerWaalsContact O-CD 3.32Å; K264-P266 WeakPolarHBondContact O-CD 3.38Å
265	F	98.4	Very high	96.7	Very high	20 Å²	20	61.2 Å²	61.2	9%	0.088	33%	0.329	C	S	.	.			trans	-76.2	112.6	179.8	-63.2	-22	0	0	0	110.8	V260 F262 N267 F268 L300 A303 H304 L307	V260-F265 HydrophobicContact CG1-CZ 4.18Å; F262-F265 HydrophobicContact CB-CD2 4.37Å; F262-F265 HydrophobicContact CB-CE2 4.45Å; F262-F265 HydrophobicContact CD1-CD2 4.37Å; F262-F265 HydrophobicContact CD1-CE2 4.43Å; F262-F265 HydrophobicContact CD2-CD2 4.31Å; F262-F265 AromaticContact CD2-CE2 3.67Å; F262-F265 HydrophobicContact CD2-CE2 3.67Å; F262-F265 HydrophobicContact CD2-CZ 4.48Å; F262-F265 AromaticContact CE2-CE2 3.85Å; F262-F265 HydrophobicContact CE2-CE2 3.85Å; F262-F265 HydrophobicContact CG-CD2 4.12Å; F262-F265 AromaticContact CG-CE2 3.95Å; F262-F265 HydrophobicContact CG-CE2 3.95Å; F262-F265 HydrophobicContact CZ-CE2 4.28Å; F262-F265 PolarHBondContact O-N 3.2Å; F265-N267 VanDerWaalsContact C-N 3.32Å; F265-N267 PolarHBondContact O-N 3.4Å; F265-F268 HydrophobicContact CB-CB 3.86Å; F265-F268 PolarHBondContact O-N 3.22Å; F265-L300 HydrophobicContact CD2-CD2 3.75Å; F265-L300 HydrophobicContact CE2-CD2 4.18Å; F265-A303 HydrophobicContact CD1-CB 4.01Å; F265-A303 HydrophobicContact CD2-CB 3.77Å; F265-A303 HydrophobicContact CE1-CB 4.1Å; F265-A303 HydrophobicContact CE2-CB 3.86Å; F265-A303 HydrophobicContact CG-CB 3.87Å; F265-A303 HydrophobicContact CZ-CB 4.03Å; F265-H304 HydrophobicContact CE1-CB 4.09Å; F265-H304 HydrophobicContact CZ-CB 3.95Å; F265-L307 HydrophobicContact CE2-CD2 4.05Å; F265-L307 HydrophobicContact CZ-CD2 4.27Å
266	P	97.4	Very high	97.4	Very high	122 Å²	122	54.2 Å²	54.2	79%	0.792	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.5	-166.5	25.8	-34.9	0	0	0	113.6	K264	K264-P266 VanDerWaalsContact O-CD 3.32Å; K264-P266 WeakPolarHBondContact O-CD 3.38Å
267	N	97.5	Very high	97.9	Very high	133 Å²	133	53.7 Å²	53.7	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.5	-176.6	-65.1	-35.8	0	0	0	113.4	F265 A299	F265-N267 VanDerWaalsContact C-N 3.32Å; F265-N267 PolarHBondContact O-N 3.4Å; N267-A299 HydrophobicContact CB-CB 4.27Å; N267-A299 VanDerWaalsContact O-CB 3.27Å; N267-A299 WeakPolarHBondContact O-CB 3.43Å
268	F	98.6	Very high	98.3	Very high	19 Å²	19	50.1 Å²	50.1	8%	0.083	25%	0.251	C	S	.	.			trans	-103	146.3	-179.9	172.4	-98.9	0	0	0	111	F262 F265 F270 I273 L286 V296 A299 L300	F262-F268 HydrophobicContact CB-CE1 4.38Å; F262-F268 HydrophobicContact CD1-CD1 4.03Å; F262-F268 AromaticContact CD1-CE1 3.61Å; F262-F268 HydrophobicContact CD1-CE1 3.61Å; F262-F268 HydrophobicContact CD1-CE2 4.31Å; F262-F268 AromaticContact CD1-CZ 3.75Å; F262-F268 HydrophobicContact CD1-CZ 3.75Å; F262-F268 HydrophobicContact CE1-CE1 4.43Å; F262-F268 HydrophobicContact CE1-CE2 4.36Å; F262-F268 HydrophobicContact CE1-CZ 4.18Å; F262-F268 HydrophobicContact CG-CE1 4.5Å; F265-F268 HydrophobicContact CB-CB 3.86Å; F265-F268 PolarHBondContact O-N 3.22Å; F268-F270 AromaticContact CE1-CD1 3.82Å; F268-F270 HydrophobicContact CE1-CD1 3.82Å; F268-F270 AromaticContact CE1-CD2 3.71Å; F268-F270 HydrophobicContact CE1-CD2 3.71Å; F268-F270 AromaticContact CE1-CE1 3.8Å; F268-F270 HydrophobicContact CE1-CE1 3.8Å; F268-F270 AromaticContact CE1-CE2 3.67Å; F268-F270 HydrophobicContact CE1-CE2 3.67Å; F268-F270 AromaticContact CE1-CG 3.79Å; F268-F270 HydrophobicContact CE1-CG 3.79Å; F268-F270 AromaticContact CE1-CZ 3.72Å; F268-F270 HydrophobicContact CE1-CZ 3.72Å; F268-F270 AromaticContact CZ-CD1 3.82Å; F268-F270 HydrophobicContact CZ-CD1 3.82Å; F268-F270 AromaticContact CZ-CE1 3.89Å; F268-F270 HydrophobicContact CZ-CE1 3.89Å; F268-F270 HydrophobicContact CZ-CG 4.15Å; F268-F270 HydrophobicContact CZ-CZ 4.27Å; F268-I273 HydrophobicContact CE2-CD1 4.07Å; F268-I273 HydrophobicContact CE2-CG1 4.21Å; F268-I273 HydrophobicContact CZ-CD1 4.33Å; F268-I273 HydrophobicContact CZ-CG1 4Å; F268-L286 HydrophobicContact CE2-CD1 4.47Å; F268-V296 HydrophobicContact CD2-CG1 4.48Å; F268-V296 HydrophobicContact CE2-CG1 4.14Å; F268-A299 HydrophobicContact CB-CB 4.42Å; F268-L300 HydrophobicContact CB-CD2 4.09Å; F268-L300 HydrophobicContact CD2-CD1 3.95Å; F268-L300 HydrophobicContact CD2-CD2 3.6Å; F268-L300 HydrophobicContact CD2-CG 3.8Å; F268-L300 HydrophobicContact CE2-CD1 3.92Å; F268-L300 HydrophobicContact CE2-CD2 4.19Å; F268-L300 HydrophobicContact CE2-CG 4.29Å; F268-L300 HydrophobicContact CG-CD2 3.85Å; F268-L300 HydrophobicContact CG-CG 4.5Å
269	T	98.5	Very high	98.4	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.288	25%	0.248	S	C	.	.			trans	-143	131.2	170.8	178.9	0	0	0	0	111.6	Q271 D272	T269-Q271 HydrophobicContact CG2-CB 4.37Å; T269-Q271 PolarHBondContact O-N 3.17Å; T269-Q271 VanDerWaalsContact O-N 3.1Å; T269-Q271 PolarHBondContact OG1-N 3.19Å; T269-D272 HydrophobicContact CG2-CB 4.38Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.25Å; T269-D272 PolarHBondContact O-N 2.88Å; T269-D272 VanDerWaalsContact O-N 3.11Å
270	F	98.7	Very high	98.4	Very high	30 Å²	30	50.7 Å²	50.7	13%	0.132	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-62.9	-14.3	173.2	-76.8	-71.4	0	0	0	113.7	F262 F268 D272 I273 E276 L278 R343	F262-F270 HydrophobicContact CB-CE2 4.09Å; F262-F270 HydrophobicContact CB-CZ 3.74Å; F262-F270 HydrophobicContact CD1-CZ 4.22Å; F262-F270 HydrophobicContact CG-CZ 4.35Å; F268-F270 AromaticContact CE1-CD1 3.82Å; F268-F270 HydrophobicContact CE1-CD1 3.82Å; F268-F270 AromaticContact CE1-CD2 3.71Å; F268-F270 HydrophobicContact CE1-CD2 3.71Å; F268-F270 AromaticContact CE1-CE1 3.8Å; F268-F270 HydrophobicContact CE1-CE1 3.8Å; F268-F270 AromaticContact CE1-CE2 3.67Å; F268-F270 HydrophobicContact CE1-CE2 3.67Å; F268-F270 AromaticContact CE1-CG 3.79Å; F268-F270 HydrophobicContact CE1-CG 3.79Å; F268-F270 AromaticContact CE1-CZ 3.72Å; F268-F270 HydrophobicContact CE1-CZ 3.72Å; F268-F270 AromaticContact CZ-CD1 3.82Å; F268-F270 HydrophobicContact CZ-CD1 3.82Å; F268-F270 AromaticContact CZ-CE1 3.89Å; F268-F270 HydrophobicContact CZ-CE1 3.89Å; F268-F270 HydrophobicContact CZ-CG 4.15Å; F268-F270 HydrophobicContact CZ-CZ 4.27Å; F270-D272 PolarHBondContact O-N 2.83Å; F270-I273 HydrophobicContact CD1-CG1 4.39Å; F270-I273 PolarHBondContact O-N 3.31Å; F270-I273 VanDerWaalsContact O-N 3.16Å; F270-E276 WeakPolarHBondContact CD1-OE2 3.5Å; F270-E276 WeakPolarHBondContact CE1-OE2 3.48Å; F270-L278 HydrophobicContact CE1-CD1 3.85Å; F270-L278 HydrophobicContact CZ-CD1 4.09Å; F270-R343 VanDerWaalsContact CB-NH1 3.26Å; F270-R343 HydrophobicContact CD1-CG 4.25Å; F270-R343 HydrophobicContact CD2-CG 3.88Å; F270-R343 HydrophobicContact CE1-CG 4.03Å; F270-R343 HydrophobicContact CE2-CB 4.28Å; F270-R343 HydrophobicContact CE2-CG 3.64Å; F270-R343 HydrophobicContact CG-CG 4.18Å; F270-R343 HydrophobicContact CZ-CG 3.72Å
271	Q	98.5	Very high	98.4	Very high	151 Å²	151	50.7 Å²	50.7	71%	0.706	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22.6	173.9	-66.1	-175.4	-2.3	0	0	112.7	T269 I273 K289	T269-Q271 HydrophobicContact CG2-CB 4.37Å; T269-Q271 PolarHBondContact O-N 3.17Å; T269-Q271 VanDerWaalsContact O-N 3.1Å; T269-Q271 PolarHBondContact OG1-N 3.19Å; Q271-I273 VanDerWaalsContact C-N 3.27Å; Q271-K289 WeakPolarHBondContact O-CD 3.3Å; Q271-K289 WeakPolarHBondContact O-CE 3.44Å; Q271-K289 PolarHBondContact O-NZ 2.81Å
272	D	98.7	Very high	98.5	Very high	14 Å²	14	50 Å²	50	8%	0.075	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-83.4	-3.6	177	-70.3	-37.8	0	0	0	112.9	T269 F270 P288 K289 R292 K295 V296	T269-D272 HydrophobicContact CG2-CB 4.38Å; T269-D272 WeakPolarHBondContact CG2-OD2 3.25Å; T269-D272 PolarHBondContact O-N 2.88Å; T269-D272 VanDerWaalsContact O-N 3.11Å; F270-D272 PolarHBondContact O-N 2.83Å; D272-P288 CarbonylContact O-C 3.42Å; D272-P288 WeakPolarHBondContact O-CA 3.31Å; D272-K289 PolarHBondContact O-N 3.26Å; D272-R292 HydrophobicContact CB-CB 4.22Å; D272-R292 HydrophobicContact CB-CG 4.36Å; D272-R292 IonicContact OD1-NE 3.36Å; D272-K295 IonicContact OD1-NZ 3.49Å; D272-K295 WeakPolarHBondContact OD2-CD 3.39Å; D272-K295 VanDerWaalsContact OD2-CE 3.24Å; D272-K295 WeakPolarHBondContact OD2-CE 3.37Å; D272-K295 IonicContact OD2-NZ 3.29Å; D272-K295 PolarHBondContact OD2-NZ 3.37Å; D272-V296 HydrophobicContact CB-CG2 3.7Å
273	I	98.8	Very high	98.5	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.1	-173.7	-55.2	-56.3	0	0	0	111.4	F268 F270 Q271 F275 E276 L286 V296	F268-I273 HydrophobicContact CE2-CD1 4.07Å; F268-I273 HydrophobicContact CE2-CG1 4.21Å; F268-I273 HydrophobicContact CZ-CD1 4.33Å; F268-I273 HydrophobicContact CZ-CG1 4Å; F270-I273 HydrophobicContact CD1-CG1 4.39Å; F270-I273 PolarHBondContact O-N 3.31Å; F270-I273 VanDerWaalsContact O-N 3.16Å; Q271-I273 VanDerWaalsContact C-N 3.27Å; I273-F275 WeakPolarHBondContact CG2-O 3.35Å; I273-E276 HydrophobicContact CG2-CB 4.01Å; I273-L286 HydrophobicContact CD1-CD1 4.19Å; I273-L286 HydrophobicContact CD1-CD2 4.32Å; I273-L286 HydrophobicContact CG2-CD2 4.08Å; I273-V296 HydrophobicContact CD1-CG1 3.89Å; I273-V296 HydrophobicContact CD1-CG2 4Å
274	K	98.8	Very high	98.5	Very high	109 Å²	109	46.7 Å²	46.7	47%	0.474	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-35.2	175	175.6	175.5	-179.4	-176.6	0	111.4	K104 L287 K289	K104-K274 WeakPolarHBondContact CE-O 3.47Å; K104-K274 VanDerWaalsContact NZ-CG 3.26Å; K104-K274 PolarHBondContact NZ-O 2.77Å; K274-L287 WeakPolarHBondContact CA-O 3.23Å; K274-L287 HydrophobicContact CB-CG 4.37Å; K274-L287 WeakPolarHBondContact CB-O 3.4Å; K274-L287 HydrophobicContact CD-CD2 4.1Å; K274-L287 HydrophobicContact CD-CG 4.49Å; K274-L287 HydrophobicContact CG-CD2 4.32Å; K274-L287 PolarHBondContact N-O 3.33Å; K274-K289 HydrophobicContact CB-CG 3.97Å
275	F	98.9	Very high	98.5	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.2	173.9	168.1	-84.8	0	0	0	109.7	Y99 T101 K104 K106 I273 L277 L287 T328	Y99-F275 HydrophobicContact CD2-CE1 4.1Å; Y99-F275 AromaticContact CD2-CZ 3.86Å; Y99-F275 HydrophobicContact CD2-CZ 3.86Å; Y99-F275 HydrophobicContact CG-CZ 4.02Å; T101-F275 HydrophobicContact CG2-CD1 3.74Å; T101-F275 HydrophobicContact CG2-CE1 4.05Å; T101-F275 HydrophobicContact CG2-CG 4.02Å; K104-F275 HydrophobicContact CD-CB 4.43Å; K104-F275 HydrophobicContact CD-CD2 4.31Å; K106-F275 HydrophobicContact CD-CE2 4.1Å; K106-F275 HydrophobicContact CD-CZ 4.08Å; K106-F275 HydrophobicContact CG-CE2 3.88Å; K106-F275 HydrophobicContact CG-CZ 4.05Å; I273-F275 WeakPolarHBondContact CG2-O 3.35Å; F275-L277 HydrophobicContact CE1-CB 4.12Å; F275-L277 HydrophobicContact CZ-CB 4.31Å; F275-L287 HydrophobicContact CB-CB 4.1Å; F275-L287 HydrophobicContact CB-CD2 4.42Å; F275-L287 PolarHBondContact N-O 3.49Å; F275-L287 VanDerWaalsContact N-O 3.07Å; F275-L287 PolarHBondContact O-N 2.95Å; F275-T328 HydrophobicContact CD1-CG2 4.42Å
276	E	98.8	Very high	98.6	Very high	36 Å²	36	39.6 Å²	39.6	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.4	179.6	71	-162.1	173.4	0	0	111.9	K106 F270 I273 L286 R343	K106-E276 WeakPolarHBondContact CD-O 3.34Å; K106-E276 PolarHBondContact NZ-O 2.98Å; F270-E276 WeakPolarHBondContact CD1-OE2 3.5Å; F270-E276 WeakPolarHBondContact CE1-OE2 3.48Å; I273-E276 HydrophobicContact CG2-CB 4.01Å; E276-L286 HydrophobicContact CB-CD2 3.59Å; E276-R343 IonicContact OE1-CZ 3.22Å; E276-R343 VanDerWaalsContact OE1-CZ 3.23Å; E276-R343 IonicContact OE1-NE 2.69Å; E276-R343 PolarHBondContact OE1-NE 3.35Å; E276-R343 IonicContact OE1-NH2 3.67Å; E276-R343 PolarHBondContact OE1-NH2 2.84Å; E276-R343 IonicContact OE2-CZ 3.45Å; E276-R343 IonicContact OE2-NE 2.79Å; E276-R343 IonicContact OE2-NH2 2.95Å; E276-R343 PolarHBondContact OE2-NH2 2.99Å
277	L	98.8	Very high	98.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	93.7	166.2	-156.3	167.9	0	0	0	106.2	H95 Y99 K106 F275 G284 M285	H95-L277 VanDerWaalsContact NE2-CD2 3.25Å; H95-L277 WeakPolarHBondContact NE2-CD2 3.11Å; Y99-L277 HydrophobicContact CD1-CD1 3.66Å; Y99-L277 HydrophobicContact CE1-CD1 4.22Å; Y99-L277 HydrophobicContact CG-CD1 4.11Å; K106-L277 HydrophobicContact CD-CG 4.22Å; F275-L277 HydrophobicContact CE1-CB 4.12Å; F275-L277 HydrophobicContact CZ-CB 4.31Å; L277-G284 CarbonylContact O-C 3.53Å; L277-G284 WeakPolarHBondContact O-CA 3.27Å; L277-M285 HydrophobicContact CB-CB 4.17Å; L277-M285 PolarHBondContact N-O 3.32Å; L277-M285 PolarHBondContact O-N 3.43Å
278	L	98.7	Very high	98.7	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	14%	0.142	C	C	.	.			trans	-125.8	-174	174.8	-59.7	176.1	0	0	0	107	F262 F270 Y280 L286 M332 I340	F262-L278 HydrophobicContact CD1-CD1 3.97Å; F262-L278 HydrophobicContact CD2-CD1 4.44Å; F262-L278 HydrophobicContact CE1-CD1 4.2Å; F262-L278 HydrophobicContact CG-CD1 4.13Å; F262-L278 HydrophobicContact CZ-CD2 4.4Å; F270-L278 HydrophobicContact CE1-CD1 3.85Å; F270-L278 HydrophobicContact CZ-CD1 4.09Å; L278-Y280 PolarHBondContact O-N 3.1Å; L278-L286 HydrophobicContact CD1-CD2 4.26Å; L278-L286 HydrophobicContact CD2-CD2 4.48Å; L278-L286 HydrophobicContact CG-CD2 4.33Å; L278-M332 HydrophobicContact CD2-SD 4.06Å; L278-I340 HydrophobicContact CD2-CG2 4.04Å
279	D	98.3	Very high	98.7	Very high	47 Å²	47	33.5 Å²	33.5	25%	0.251	16%	0.16	S	C	.	.	S	Bend	trans	60.2	32.4	177.7	-58.3	-63.5	0	0	0	112.8	I340 H341 G342 V346	D279-I340 PolarHBondContact N-O 2.89Å; D279-H341 WeakPolarHBondContact OD1-CA 3.2Å; D279-G342 PolarHBondContact OD1-N 3.16Å; D279-G342 WeakPolarHBondContact OD2-CA 3.33Å; D279-G342 PolarHBondContact OD2-N 2.97Å; D279-V346 HydrophobicContact CB-CG2 3.74Å
280	Y	98.3	Very high	98.7	Very high	66 Å²	66	40.5 Å²	40.5	26%	0.259	19%	0.189	S	C	.	.	S	Bend	trans	-138.8	74.9	-179.1	-161.2	-91.3	0	0	0	110.4	M74 H95 N96 M97 L278	M74-Y280 HydrophobicContact CE-CD1 3.88Å; M74-Y280 HydrophobicContact CE-CE1 4.08Å; M74-Y280 HydrophobicContact SD-CD1 4.44Å; M74-Y280 HydrophobicContact SD-CE1 4.08Å; H95-Y280 AromaticContact CE1-CD1 3.27Å; H95-Y280 WeakPolarHBondContact CE1-CD1 3.33Å; H95-Y280 AromaticContact CE1-CE1 3.48Å; H95-Y280 VanDerWaalsContact CE1-CE1 3.48Å; H95-Y280 WeakPolarHBondContact CE1-CE1 3.48Å; H95-Y280 AromaticContact CE1-CG 3.79Å; H95-Y280 AromaticContact NE2-CD1 3.65Å; N96-Y280 HydrophobicContact CB-CE1 4.12Å; N96-Y280 WeakPolarHBondContact CB-OH 3.47Å; N96-Y280 PolarHBondContact ND2-OH 2.69Å; M97-Y280 HydrophobicContact CG-CE2 4.38Å; M97-Y280 HydrophobicContact SD-CD2 4.01Å; M97-Y280 HydrophobicContact SD-CE2 4.15Å; L278-Y280 PolarHBondContact O-N 3.1Å
281	G	98.2	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-143.2	-177.5	0	0	0	0	0	112.4	I340	G281-I340 PolarHBondContact O-N 3.49Å
282	P	98.7	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.9	-174.5	36.7	-36.8	0	0	0	114	Y333 S334 I340 H353 G354 F355	P282-Y333 CarbonylContact O-C 3.55Å; P282-Y333 WeakPolarHBondContact O-CA 3.39Å; P282-S334 VanDerWaalsContact CA-OG 3.29Å; P282-S334 WeakPolarHBondContact CA-OG 3.41Å; P282-S334 VanDerWaalsContact CB-OG 3.27Å; P282-S334 WeakPolarHBondContact CB-OG 3.34Å; P282-S334 PolarHBondContact O-N 2.8Å; P282-S334 PolarHBondContact O-OG 3.24Å; P282-I340 VanDerWaalsContact O-CD1 3.25Å; P282-I340 WeakPolarHBondContact O-CD1 3.4Å; P282-H353 WeakPolarHBondContact CD-O 3.25Å; P282-H353 WeakPolarHBondContact CG-O 3.35Å; P282-G354 VanDerWaalsContact CG-C 3.46Å; P282-F355 HydrophobicContact CB-CD1 3.49Å; P282-F355 VanDerWaalsContact CB-CD1 3.49Å; P282-F355 HydrophobicContact CB-CE1 3.34Å; P282-F355 HydrophobicContact CB-CG 4.22Å; P282-F355 HydrophobicContact CB-CZ 3.91Å; P282-F355 HydrophobicContact CG-CD1 3.62Å; P282-F355 HydrophobicContact CG-CD2 4.05Å; P282-F355 HydrophobicContact CG-CE1 3.69Å; P282-F355 HydrophobicContact CG-CE2 4.06Å; P282-F355 HydrophobicContact CG-CG 3.82Å; P282-F355 HydrophobicContact CG-CZ 3.91Å
283	N	98.9	Very high	98.7	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.1	-177.4	-67.1	-83.5	0	0	0	111.9	V72 M74 M332 G354	V72-N283 VanDerWaalsContact CG1-OD1 3.28Å; V72-N283 WeakPolarHBondContact CG1-OD1 3.46Å; M74-N283 HydrophobicContact CE-CB 3.8Å; N283-M332 WeakPolarHBondContact CA-O 3.47Å; N283-G354 PolarHBondContact ND2-O 3.33Å
284	G	98.8	Very high	98.7	Very high	4 Å²	4	47 Å²	47	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.8	179	0	0	0	0	0	113.4	L277 L331 M332	L277-G284 CarbonylContact O-C 3.53Å; L277-G284 WeakPolarHBondContact O-CA 3.27Å; G284-L331 CarbonylContact O-C 3.11Å; G284-L331 VanDerWaalsContact O-CA 3.29Å; G284-L331 WeakPolarHBondContact O-CA 3.31Å; G284-M332 PolarHBondContact N-O 3.41Å; G284-M332 PolarHBondContact O-N 3.41Å
285	M	98.9	Very high	98.7	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.4	173.5	-79.3	-165.5	-164.5	0	0	110.9	Y99 L277 Y321 V327 T328 L331	Y99-M285 HydrophobicContact CE1-SD 4.33Å; Y99-M285 PolarHBondContact OH-SD 2.79Å; Y99-M285 VanDerWaalsContact OH-SD 3.41Å; L277-M285 HydrophobicContact CB-CB 4.17Å; L277-M285 PolarHBondContact N-O 3.32Å; L277-M285 PolarHBondContact O-N 3.43Å; M285-Y321 HydrophobicContact CE-CE1 4.1Å; M285-Y321 WeakPolarHBondContact CE-OH 3.46Å; M285-V327 HydrophobicContact CE-CG1 4.4Å; M285-V327 HydrophobicContact CE-CG2 4.18Å; M285-T328 HydrophobicContact CB-CG2 4.24Å; M285-T328 WeakPolarHBondContact CB-OG1 3.48Å; M285-T328 WeakPolarHBondContact CG-OG1 3.17Å; M285-T328 HydrophobicContact SD-CG2 4.33Å; M285-L331 HydrophobicContact CG-CB 4.47Å
286	L	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.4	177.4	-66.1	178.8	0	0	0	111.4	F262 F268 I273 E276 L278 V296 L300 T328 L330 M332	F262-L286 HydrophobicContact CE1-CD1 4.02Å; F268-L286 HydrophobicContact CE2-CD1 4.47Å; I273-L286 HydrophobicContact CD1-CD1 4.19Å; I273-L286 HydrophobicContact CD1-CD2 4.32Å; I273-L286 HydrophobicContact CG2-CD2 4.08Å; E276-L286 HydrophobicContact CB-CD2 3.59Å; L278-L286 HydrophobicContact CD1-CD2 4.26Å; L278-L286 HydrophobicContact CD2-CD2 4.48Å; L278-L286 HydrophobicContact CG-CD2 4.33Å; L286-V296 HydrophobicContact CD1-CG1 4.43Å; L286-L300 HydrophobicContact CD1-CD1 3.68Å; L286-T328 PolarHBondContact N-OG1 2.85Å; L286-T328 WeakPolarHBondContact O-CB 3.44Å; L286-T328 PolarHBondContact O-OG1 2.94Å; L286-L330 HydrophobicContact CB-CB 4.09Å; L286-L330 PolarHBondContact N-O 3.41Å; L286-L330 PolarHBondContact O-N 3.07Å; L286-M332 HydrophobicContact CD1-CE 3.71Å; L286-M332 HydrophobicContact CG-CE 3.93Å
287	L	98.9	Very high	98.7	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	102.5	163.1	175.2	63.9	0	0	0	108.2	T101 K274 F275 T328 P329	T101-L287 HydrophobicContact CG2-CD2 4.33Å; K274-L287 WeakPolarHBondContact CA-O 3.23Å; K274-L287 HydrophobicContact CB-CG 4.37Å; K274-L287 WeakPolarHBondContact CB-O 3.4Å; K274-L287 HydrophobicContact CD-CD2 4.1Å; K274-L287 HydrophobicContact CD-CG 4.49Å; K274-L287 HydrophobicContact CG-CD2 4.32Å; K274-L287 PolarHBondContact N-O 3.33Å; F275-L287 HydrophobicContact CB-CB 4.1Å; F275-L287 HydrophobicContact CB-CD2 4.42Å; F275-L287 PolarHBondContact N-O 3.49Å; F275-L287 VanDerWaalsContact N-O 3.07Å; F275-L287 PolarHBondContact O-N 2.95Å; L287-T328 HydrophobicContact CB-CG2 4.31Å; L287-P329 HydrophobicContact CD1-CG 3.75Å
288	P	98.9	Very high	98.7	Very high	10 Å²	10	50 Å²	50	7%	0.065	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	158.6	171.3	-26.6	38.1	0	0	0	112.7	D272 R292 L293 V296 L330	D272-P288 CarbonylContact O-C 3.42Å; D272-P288 WeakPolarHBondContact O-CA 3.31Å; P288-R292 HydrophobicContact CB-CB 4.3Å; P288-L293 HydrophobicContact CG-CD1 3.99Å; P288-V296 HydrophobicContact CB-CB 4.44Å; P288-V296 HydrophobicContact CB-CG2 4.07Å; P288-V296 HydrophobicContact CG-CB 4.02Å; P288-V296 HydrophobicContact CG-CG1 4.14Å; P288-V296 HydrophobicContact CG-CG2 4.14Å; P288-L330 HydrophobicContact CG-CD1 3.79Å; P288-L330 HydrophobicContact CG-CG 4.45Å
289	K	98.9	Very high	98.7	Very high	103 Å²	103	50.3 Å²	50.3	45%	0.448	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-64.2	159	166.4	-69.4	176.4	-179.6	173.2	0	110.1	Q271 D272 K274 G291 R292	Q271-K289 WeakPolarHBondContact O-CD 3.3Å; Q271-K289 WeakPolarHBondContact O-CE 3.44Å; Q271-K289 PolarHBondContact O-NZ 2.81Å; D272-K289 PolarHBondContact O-N 3.26Å; K274-K289 HydrophobicContact CB-CG 3.97Å; K289-G291 PolarHBondContact O-N 3.42Å; K289-R292 HydrophobicContact CB-CG 4.09Å; K289-R292 WeakPolarHBondContact O-CB 3.43Å; K289-R292 PolarHBondContact O-N 3.42Å
290	E	98.5	Very high	98.7	Very high	195 Å²	195	48.1 Å²	48.1	91%	0.911	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	134.9	178.9	-168.9	172.6	179.3	0	0	111.3	R292	E290-R292 PolarHBondContact O-N 3.11Å
291	G	98.5	Very high	98.7	Very high	81 Å²	81	48.7 Å²	48.7	84%	0.835	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	2.7	-176.5	0	0	0	0	0	115.9	K289	K289-G291 PolarHBondContact O-N 3.42Å
292	R	98.7	Very high	98.7	Very high	114 Å²	114	55.1 Å²	55.1	43%	0.43	28%	0.284	S	S	.	.			trans	-105.5	-3.2	-178.1	-57.4	-61.4	-172.5	174.3	3.5	115	D272 P288 K289 E290 E294 K295 V296	D272-R292 HydrophobicContact CB-CB 4.22Å; D272-R292 HydrophobicContact CB-CG 4.36Å; D272-R292 IonicContact OD1-NE 3.36Å; P288-R292 HydrophobicContact CB-CB 4.3Å; K289-R292 HydrophobicContact CB-CG 4.09Å; K289-R292 WeakPolarHBondContact O-CB 3.43Å; K289-R292 PolarHBondContact O-N 3.42Å; E290-R292 PolarHBondContact O-N 3.11Å; R292-E294 PolarHBondContact O-N 2.67Å; R292-K295 WeakPolarHBondContact O-CB 3.3Å; R292-K295 PolarHBondContact O-N 3.01Å; R292-V296 HydrophobicContact CB-CG2 4.49Å; R292-V296 WeakPolarHBondContact O-CG2 3.5Å; R292-V296 PolarHBondContact O-N 2.91Å
293	L	98.8	Very high	98.7	Very high	57 Å²	57	56.6 Å²	56.6	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-52.6	-57.1	-175.4	178.1	61.6	0	0	0	112.8	P288 K295 V296 Y297 P329 L330	P288-L293 HydrophobicContact CG-CD1 3.99Å; L293-K295 VanDerWaalsContact C-N 3.29Å; L293-K295 PolarHBondContact O-N 3.19Å; L293-V296 PolarHBondContact O-N 2.75Å; L293-Y297 WeakPolarHBondContact O-CB 3.42Å; L293-Y297 PolarHBondContact O-N 2.72Å; L293-P329 HydrophobicContact CD1-CB 4.1Å; L293-L330 HydrophobicContact CD1-CD1 4.01Å; L293-L330 HydrophobicContact CD1-CD2 3.99Å; L293-L330 HydrophobicContact CD1-CG 3.67Å
294	E	98.7	Very high	98.7	Very high	94 Å²	94	57.1 Å²	57.1	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-34.9	-178.5	-65.4	-54.6	139.4	0	0	112.9	R292 N298 K311	R292-E294 PolarHBondContact O-N 2.67Å; E294-N298 WeakPolarHBondContact O-CB 3.37Å; E294-N298 PolarHBondContact O-N 3.33Å; E294-N298 PolarHBondContact O-ND2 2.85Å; E294-K311 WeakPolarHBondContact OE1-CE 3.47Å; E294-K311 IonicContact OE1-NZ 3.34Å; E294-K311 PolarHBondContact OE1-NZ 3.45Å; E294-K311 IonicContact OE2-NZ 2.86Å; E294-K311 PolarHBondContact OE2-NZ 2.86Å
295	K	98.8	Very high	98.7	Very high	100 Å²	100	62.2 Å²	62.2	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-48.2	176	-176.4	-170.4	175.3	-160	0	110.5	D272 R292 L293 A299	D272-K295 IonicContact OD1-NZ 3.49Å; D272-K295 WeakPolarHBondContact OD2-CD 3.39Å; D272-K295 VanDerWaalsContact OD2-CE 3.24Å; D272-K295 WeakPolarHBondContact OD2-CE 3.37Å; D272-K295 IonicContact OD2-NZ 3.29Å; D272-K295 PolarHBondContact OD2-NZ 3.37Å; R292-K295 WeakPolarHBondContact O-CB 3.3Å; R292-K295 PolarHBondContact O-N 3.01Å; L293-K295 VanDerWaalsContact C-N 3.29Å; L293-K295 PolarHBondContact O-N 3.19Å; K295-A299 WeakPolarHBondContact O-CB 3.26Å; K295-A299 PolarHBondContact O-N 3.23Å
296	V	98.9	Very high	98.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-45.3	-179.7	174.4	0	0	0	0	110.7	F268 D272 I273 L286 P288 R292 L293 A299 L300 L330	F268-V296 HydrophobicContact CD2-CG1 4.48Å; F268-V296 HydrophobicContact CE2-CG1 4.14Å; D272-V296 HydrophobicContact CB-CG2 3.7Å; I273-V296 HydrophobicContact CD1-CG1 3.89Å; I273-V296 HydrophobicContact CD1-CG2 4Å; L286-V296 HydrophobicContact CD1-CG1 4.43Å; P288-V296 HydrophobicContact CB-CB 4.44Å; P288-V296 HydrophobicContact CB-CG2 4.07Å; P288-V296 HydrophobicContact CG-CB 4.02Å; P288-V296 HydrophobicContact CG-CG1 4.14Å; P288-V296 HydrophobicContact CG-CG2 4.14Å; R292-V296 HydrophobicContact CB-CG2 4.49Å; R292-V296 WeakPolarHBondContact O-CG2 3.5Å; R292-V296 PolarHBondContact O-N 2.91Å; L293-V296 PolarHBondContact O-N 2.75Å; V296-A299 PolarHBondContact O-N 3.39Å; V296-L300 HydrophobicContact CG1-CD1 3.71Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CB 3.22Å; V296-L300 WeakPolarHBondContact O-CG 3.46Å; V296-L300 PolarHBondContact O-N 3.09Å; V296-L330 HydrophobicContact CB-CD1 4.13Å; V296-L330 HydrophobicContact CG1-CD1 3.58Å
297	Y	98.9	Very high	98.6	Very high	35 Å²	35	64.5 Å²	64.5	14%	0.137	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-50.9	178.9	176	-106.3	0	0	0	112.2	L293 A299 L300 K301 K311 E314 L330	L293-Y297 WeakPolarHBondContact O-CB 3.42Å; L293-Y297 PolarHBondContact O-N 2.72Å; Y297-A299 PolarHBondContact O-N 3.5Å; Y297-L300 PolarHBondContact O-N 2.95Å; Y297-K301 HydrophobicContact CD1-CD 4.29Å; Y297-K301 HydrophobicContact CE1-CB 4.48Å; Y297-K301 HydrophobicContact CE1-CD 3.83Å; Y297-K301 HydrophobicContact CE2-CB 4.24Å; Y297-K301 WeakPolarHBondContact O-CB 3.5Å; Y297-K301 PolarHBondContact O-N 2.8Å; Y297-K311 VanDerWaalsContact CD1-CE 3.49Å; Y297-K311 HydrophobicContact CD2-CG 3.84Å; Y297-K311 HydrophobicContact CE2-CG 3.9Å; Y297-K311 HydrophobicContact CG-CG 4.21Å; Y297-E314 PolarHBondContact OH-OE2 2.84Å; Y297-L330 HydrophobicContact CD2-CD2 3.74Å; Y297-L330 HydrophobicContact CG-CD2 4.34Å
298	N	98.8	Very high	98.6	Very high	81 Å²	81	65.2 Å²	65.2	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-25.8	-179.1	-73.5	-55.9	0	0	0	113.3	E294 L300 K301	E294-N298 WeakPolarHBondContact O-CB 3.37Å; E294-N298 PolarHBondContact O-N 3.33Å; E294-N298 PolarHBondContact O-ND2 2.85Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-K301 PolarHBondContact OD1-NZ 2.83Å
299	A	98.7	Very high	98.6	Very high	20 Å²	20	65.2 Å²	65.2	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-74.7	-23.9	173.7	0	0	0	0	0	113.2	N267 F268 K295 V296 Y297	N267-A299 HydrophobicContact CB-CB 4.27Å; N267-A299 VanDerWaalsContact O-CB 3.27Å; N267-A299 WeakPolarHBondContact O-CB 3.43Å; F268-A299 HydrophobicContact CB-CB 4.42Å; K295-A299 WeakPolarHBondContact O-CB 3.26Å; K295-A299 PolarHBondContact O-N 3.23Å; V296-A299 PolarHBondContact O-N 3.39Å; Y297-A299 PolarHBondContact O-N 3.5Å
300	L	98.8	Very high	98.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-107.9	-31.2	-170.4	-70.5	178.7	0	0	0	114.6	F262 F265 F268 L286 V296 Y297 N298 D302 A303 V309	F262-L300 HydrophobicContact CD1-CD2 4.09Å; F262-L300 HydrophobicContact CE1-CD1 3.78Å; F262-L300 HydrophobicContact CE1-CD2 3.52Å; F262-L300 HydrophobicContact CE1-CG 4.32Å; F262-L300 HydrophobicContact CZ-CD1 4.27Å; F262-L300 HydrophobicContact CZ-CD2 3.96Å; F265-L300 HydrophobicContact CD2-CD2 3.75Å; F265-L300 HydrophobicContact CE2-CD2 4.18Å; F268-L300 HydrophobicContact CB-CD2 4.09Å; F268-L300 HydrophobicContact CD2-CD1 3.95Å; F268-L300 HydrophobicContact CD2-CD2 3.6Å; F268-L300 HydrophobicContact CD2-CG 3.8Å; F268-L300 HydrophobicContact CE2-CD1 3.92Å; F268-L300 HydrophobicContact CE2-CD2 4.19Å; F268-L300 HydrophobicContact CE2-CG 4.29Å; F268-L300 HydrophobicContact CG-CD2 3.85Å; F268-L300 HydrophobicContact CG-CG 4.5Å; L286-L300 HydrophobicContact CD1-CD1 3.68Å; V296-L300 HydrophobicContact CG1-CD1 3.71Å; V296-L300 HydrophobicContact CG1-CG 4.47Å; V296-L300 WeakPolarHBondContact O-CB 3.22Å; V296-L300 WeakPolarHBondContact O-CG 3.46Å; V296-L300 PolarHBondContact O-N 3.09Å; Y297-L300 PolarHBondContact O-N 2.95Å; N298-L300 VanDerWaalsContact C-N 3.34Å; L300-D302 PolarHBondContact O-N 3.45Å; L300-D302 VanDerWaalsContact O-N 3.08Å; L300-A303 HydrophobicContact CD2-CB 4.45Å; L300-A303 WeakPolarHBondContact O-CB 3.49Å; L300-A303 PolarHBondContact O-N 2.73Å; L300-V309 HydrophobicContact CB-CB 4.47Å; L300-V309 HydrophobicContact CB-CG1 4.19Å; L300-V309 HydrophobicContact CB-CG2 4.12Å
301	K	98.3	Very high	98.7	Very high	79 Å²	79	55 Å²	55	34%	0.343	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.3	-172.5	68.2	-179.4	-171.7	-171.8	0	114.6	Y297 N298	Y297-K301 HydrophobicContact CD1-CD 4.29Å; Y297-K301 HydrophobicContact CE1-CB 4.48Å; Y297-K301 HydrophobicContact CE1-CD 3.83Å; Y297-K301 HydrophobicContact CE2-CB 4.24Å; Y297-K301 WeakPolarHBondContact O-CB 3.5Å; Y297-K301 PolarHBondContact O-N 2.8Å; N298-K301 PolarHBondContact OD1-NZ 2.83Å
302	D	98.1	Very high	98.7	Very high	136 Å²	136	53.2 Å²	53.2	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	16.9	178.5	-56.9	-52.9	0	0	0	111.5	L300 H304	L300-D302 PolarHBondContact O-N 3.45Å; L300-D302 VanDerWaalsContact O-N 3.08Å; D302-H304 VanDerWaalsContact C-N 3.29Å; D302-H304 PolarHBondContact O-N 2.75Å
303	A	98.4	Very high	98.6	Very high	31 Å²	31	54.9 Å²	54.9	26%	0.256	28%	0.276	S	S	.	.	S	Bend	trans	-68.8	-28.9	-173.7	0	0	0	0	0	113	F265 L300	F265-A303 HydrophobicContact CD1-CB 4.01Å; F265-A303 HydrophobicContact CD2-CB 3.77Å; F265-A303 HydrophobicContact CE1-CB 4.1Å; F265-A303 HydrophobicContact CE2-CB 3.86Å; F265-A303 HydrophobicContact CG-CB 3.87Å; F265-A303 HydrophobicContact CZ-CB 4.03Å; L300-A303 HydrophobicContact CD2-CB 4.45Å; L300-A303 WeakPolarHBondContact O-CB 3.49Å; L300-A303 PolarHBondContact O-N 2.73Å
304	H	98.6	Very high	98.6	Very high	21 Å²	21	56.7 Å²	56.7	10%	0.097	28%	0.283	C	S	.	.			trans	-150.5	134.3	177.6	-164.8	-87.1	0	0	0	110.1	D258 F265 D302 K306 L307	D258-H304 PolarHBondContact O-CE1 2.76Å; D258-H304 PolarHBondContact O-NE2 2.97Å; F265-H304 HydrophobicContact CE1-CB 4.09Å; F265-H304 HydrophobicContact CZ-CB 3.95Å; D302-H304 VanDerWaalsContact C-N 3.29Å; D302-H304 PolarHBondContact O-N 2.75Å; H304-K306 WeakPolarHBondContact ND1-CB 3.27Å; H304-K306 PolarHBondContact ND1-N 2.89Å; H304-K306 VanDerWaalsContact ND1-N 3.14Å; H304-K306 PolarHBondContact O-N 3.34Å; H304-K306 VanDerWaalsContact O-N 3.13Å; H304-L307 HydrophobicContact CB-CB 3.9Å; H304-L307 PolarHBondContact O-N 3.2Å; H304-L307 VanDerWaalsContact O-N 3.11Å
305	P	98.1	Very high	98.6	Very high	112 Å²	112	52.7 Å²	52.7	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.2	-176.7	26.4	-35.7	0	0	0	114
306	K	98.5	Very high	98.6	Very high	48 Å²	48	50 Å²	50	21%	0.209	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	9.9	178.7	-55.2	-176.6	169.3	148.8	0	114	D258 H304 S334 D335 Y338	D258-K306 IonicContact OD1-NZ 2.87Å; D258-K306 IonicContact OD2-NZ 2.99Å; D258-K306 PolarHBondContact OD2-NZ 3.27Å; H304-K306 WeakPolarHBondContact ND1-CB 3.27Å; H304-K306 PolarHBondContact ND1-N 2.89Å; H304-K306 VanDerWaalsContact ND1-N 3.14Å; H304-K306 PolarHBondContact O-N 3.34Å; H304-K306 VanDerWaalsContact O-N 3.13Å; K306-S334 CarbonylContact O-C 3.56Å; K306-S334 WeakPolarHBondContact O-CA 3.25Å; K306-S334 VanDerWaalsContact O-CB 3.25Å; K306-S334 WeakPolarHBondContact O-CB 3.33Å; K306-D335 WeakPolarHBondContact CA-OD2 3.36Å; K306-D335 HydrophobicContact CB-CB 4.02Å; K306-D335 WeakPolarHBondContact CB-OD2 3.2Å; K306-D335 HydrophobicContact CG-CB 4.39Å; K306-D335 WeakPolarHBondContact CG-OD2 3.4Å; K306-D335 PolarHBondContact O-N 2.81Å; K306-Y338 HydrophobicContact CD-CD1 4.02Å; K306-Y338 HydrophobicContact CD-CD2 3.74Å; K306-Y338 HydrophobicContact CD-CE1 3.81Å; K306-Y338 HydrophobicContact CD-CE2 3.53Å; K306-Y338 HydrophobicContact CD-CG 4Å; K306-Y338 PolarHBondContact NZ-OH 2.97Å
307	L	98.8	Very high	98.6	Very high	3 Å²	3	58 Å²	58	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.6	177	177.6	66.2	0	0	0	108.7	V260 F262 F265 H304 V309 M332 I340	V260-L307 HydrophobicContact CG1-CB 3.96Å; V260-L307 HydrophobicContact CG1-CD1 4.12Å; V260-L307 HydrophobicContact CG1-CD2 3.91Å; V260-L307 HydrophobicContact CG1-CG 4.2Å; F262-L307 HydrophobicContact CE2-CD2 3.69Å; F262-L307 HydrophobicContact CZ-CD2 3.93Å; F265-L307 HydrophobicContact CE2-CD2 4.05Å; F265-L307 HydrophobicContact CZ-CD2 4.27Å; H304-L307 HydrophobicContact CB-CB 3.9Å; H304-L307 PolarHBondContact O-N 3.2Å; H304-L307 VanDerWaalsContact O-N 3.11Å; L307-V309 HydrophobicContact CD1-CG2 4.39Å; L307-V309 HydrophobicContact CD2-CG2 3.76Å; L307-V309 HydrophobicContact CG-CG2 3.68Å; L307-M332 HydrophobicContact CD1-CB 3.94Å; L307-M332 HydrophobicContact CD1-CG 3.99Å; L307-M332 HydrophobicContact CD1-SD 4.03Å; L307-M332 HydrophobicContact CD2-SD 4.44Å; L307-I340 HydrophobicContact CD1-CD1 3.56Å; L307-I340 HydrophobicContact CD1-CG1 4.03Å
308	H	98.8	Very high	98.6	Very high	48 Å²	48	59.9 Å²	59.9	22%	0.222	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.2	-178.5	-49.7	-67.3	0	0	0	109	Y310 M332 Y333 D335	H308-Y310 HydrophobicContact CB-CD2 4.46Å; H308-Y310 HydrophobicContact CB-CE2 3.52Å; H308-M332 WeakPolarHBondContact O-CA 3.48Å; H308-M332 VanDerWaalsContact O-CB 3.27Å; H308-M332 WeakPolarHBondContact O-CB 3.32Å; H308-Y333 HydrophobicContact CB-CD1 4.11Å; H308-Y333 HydrophobicContact CB-CE1 3.73Å; H308-Y333 HydrophobicContact CB-CE2 4.5Å; H308-Y333 AromaticContact CD2-CD2 3.92Å; H308-Y333 AromaticContact CD2-CE2 3.42Å; H308-Y333 VanDerWaalsContact CD2-CE2 3.42Å; H308-Y333 WeakPolarHBondContact CD2-CE2 3.3Å; H308-Y333 AromaticContact CD2-CZ 3.56Å; H308-Y333 AromaticContact CG-CZ 3.9Å; H308-Y333 PolarHBondContact N-O 3.35Å; H308-Y333 PolarHBondContact O-N 2.93Å; H308-Y333 VanDerWaalsContact O-N 3.15Å; H308-D335 IonicContact CD2-OD1 2.88Å; H308-D335 IonicContact CE1-OD1 3.58Å; H308-D335 IonicContact NE2-OD1 2.87Å; H308-D335 PolarHBondContact NE2-OD1 2.97Å
309	V	98.9	Very high	98.6	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.2	-177.7	-173.2	0	0	0	0	110.3	L300 L307 M332	L300-V309 HydrophobicContact CB-CB 4.47Å; L300-V309 HydrophobicContact CB-CG1 4.19Å; L300-V309 HydrophobicContact CB-CG2 4.12Å; L307-V309 HydrophobicContact CD1-CG2 4.39Å; L307-V309 HydrophobicContact CD2-CG2 3.76Å; L307-V309 HydrophobicContact CG-CG2 3.68Å; V309-M332 HydrophobicContact CB-CB 4.33Å; V309-M332 HydrophobicContact CG1-CB 4.48Å; V309-M332 HydrophobicContact CG1-CE 4.2Å; V309-M332 HydrophobicContact CG2-CB 3.92Å; V309-M332 HydrophobicContact CG2-CE 4.47Å; V309-M332 HydrophobicContact CG2-SD 4.44Å
310	Y	98.9	Very high	98.6	Very high	53 Å²	53	58.2 Å²	58.2	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.6	-178.5	-61	-92.3	0	0	0	110.8	H308 E314 F315 P316 L330 L331 Y333	H308-Y310 HydrophobicContact CB-CD2 4.46Å; H308-Y310 HydrophobicContact CB-CE2 3.52Å; Y310-E314 WeakPolarHBondContact CD1-O 3.39Å; Y310-F315 AromaticContact CD2-CD2 3.66Å; Y310-F315 HydrophobicContact CD2-CD2 3.66Å; Y310-F315 AromaticContact CD2-CE2 3.93Å; Y310-F315 HydrophobicContact CD2-CE2 3.93Å; Y310-F315 HydrophobicContact CE2-CD2 4.39Å; Y310-F315 HydrophobicContact CE2-CE2 4.38Å; Y310-F315 AromaticContact CG-CD2 3.83Å; Y310-F315 HydrophobicContact CG-CD2 3.83Å; Y310-P316 HydrophobicContact CE1-CG 4.23Å; Y310-L330 WeakPolarHBondContact O-CA 3.1Å; Y310-L330 WeakPolarHBondContact O-CD2 3.24Å; Y310-L331 PolarHBondContact N-O 3.49Å; Y310-L331 PolarHBondContact O-N 2.62Å; Y310-Y333 HydrophobicContact CE2-CD1 4.22Å; Y310-Y333 AromaticContact CE2-CE1 3.66Å; Y310-Y333 HydrophobicContact CE2-CE1 3.66Å
311	K	98.9	Very high	98.6	Very high	31 Å²	31	58.5 Å²	58.5	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	148.6	151.8	-65.8	176.6	-173.3	176.8	0	108.3	E294 Y297 E313 E314 F315 P329 L330	E294-K311 WeakPolarHBondContact OE1-CE 3.47Å; E294-K311 IonicContact OE1-NZ 3.34Å; E294-K311 PolarHBondContact OE1-NZ 3.45Å; E294-K311 IonicContact OE2-NZ 2.86Å; E294-K311 PolarHBondContact OE2-NZ 2.86Å; Y297-K311 VanDerWaalsContact CD1-CE 3.49Å; Y297-K311 HydrophobicContact CD2-CG 3.84Å; Y297-K311 HydrophobicContact CE2-CG 3.9Å; Y297-K311 HydrophobicContact CG-CG 4.21Å; K311-E313 PolarHBondContact O-N 3.09Å; K311-E313 VanDerWaalsContact O-N 3.16Å; K311-E314 HydrophobicContact CB-CB 4.37Å; K311-E314 HydrophobicContact CB-CG 4.1Å; K311-E314 PolarHBondContact O-N 2.95Å; K311-F315 PolarHBondContact O-N 2.91Å; K311-P329 WeakPolarHBondContact CA-O 3.41Å; K311-L330 HydrophobicContact CG-CD2 4.04Å
312	K	98.7	Very high	98.6	Very high	44 Å²	44	55 Å²	55	19%	0.191	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-51.8	-41	-178.4	-177.1	179.7	-176.7	169.3	0	112.6	E314 A322 N324 V327 P329 L331	K312-E314 VanDerWaalsContact C-N 3.25Å; K312-E314 PolarHBondContact O-N 3.28Å; K312-A322 WeakPolarHBondContact CE-O 3.07Å; K312-A322 HydrophobicContact CG-CB 4.44Å; K312-N324 WeakPolarHBondContact CE-O 3.39Å; K312-N324 PolarHBondContact NZ-O 2.92Å; K312-V327 HydrophobicContact CD-CG1 4.47Å; K312-V327 HydrophobicContact CG-CG1 4.33Å; K312-V327 PolarHBondContact NZ-O 3.09Å; K312-P329 PolarHBondContact N-O 3.38Å; K312-L331 HydrophobicContact CB-CD2 4.46Å
313	E	98.3	Very high	98.6	Very high	149 Å²	149	52.9 Å²	52.9	70%	0.696	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-76	-13	-177.6	-54.5	72.9	-154.1	0	0	113.2	K311	K311-E313 PolarHBondContact O-N 3.09Å; K311-E313 VanDerWaalsContact O-N 3.16Å
314	E	98.4	Very high	98.6	Very high	94 Å²	94	51.9 Å²	51.9	44%	0.439	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-106.3	-2	-178.3	-61.9	172.6	169.1	0	0	112.1	Y297 Y310 K311 K312	Y297-E314 PolarHBondContact OH-OE2 2.84Å; Y310-E314 WeakPolarHBondContact CD1-O 3.39Å; K311-E314 HydrophobicContact CB-CB 4.37Å; K311-E314 HydrophobicContact CB-CG 4.1Å; K311-E314 PolarHBondContact O-N 2.95Å; K312-E314 VanDerWaalsContact C-N 3.25Å; K312-E314 PolarHBondContact O-N 3.28Å
315	F	98.8	Very high	98.6	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.048	31%	0.309	C	S	.	.	S	Bend	trans	-67.6	138.9	-178.9	-165.2	-99.3	0	0	0	110.6	F71 Y310 K311 E317 F319 Y321 A322 L331 Y333	F71-F315 HydrophobicContact CD1-CE1 4.3Å; F71-F315 HydrophobicContact CD1-CZ 4.32Å; F71-F315 AromaticContact CE1-CE1 3.89Å; F71-F315 HydrophobicContact CE1-CE1 3.89Å; F71-F315 AromaticContact CE1-CZ 3.51Å; F71-F315 HydrophobicContact CE1-CZ 3.51Å; F71-F315 HydrophobicContact CZ-CZ 4.07Å; Y310-F315 AromaticContact CD2-CD2 3.66Å; Y310-F315 HydrophobicContact CD2-CD2 3.66Å; Y310-F315 AromaticContact CD2-CE2 3.93Å; Y310-F315 HydrophobicContact CD2-CE2 3.93Å; Y310-F315 HydrophobicContact CE2-CD2 4.39Å; Y310-F315 HydrophobicContact CE2-CE2 4.38Å; Y310-F315 AromaticContact CG-CD2 3.83Å; Y310-F315 HydrophobicContact CG-CD2 3.83Å; K311-F315 PolarHBondContact O-N 2.91Å; F315-E317 PolarHBondContact O-N 3.02Å; F315-E317 VanDerWaalsContact O-N 3.16Å; F315-F319 HydrophobicContact CD1-CB 4.39Å; F315-F319 HydrophobicContact CD1-CD2 4.3Å; F315-F319 HydrophobicContact CE1-CB 3.65Å; F315-F319 AromaticContact CE1-CD2 3.47Å; F315-F319 HydrophobicContact CE1-CD2 3.47Å; F315-F319 VanDerWaalsContact CE1-CD2 3.47Å; F315-F319 HydrophobicContact CE1-CE2 4.42Å; F315-F319 AromaticContact CE1-CG 3.89Å; F315-F319 HydrophobicContact CE1-CG 3.89Å; F315-F319 AromaticContact CZ-CD2 3.71Å; F315-F319 HydrophobicContact CZ-CD2 3.71Å; F315-F319 HydrophobicContact CZ-CE2 4.24Å; F315-F319 HydrophobicContact CZ-CG 4.34Å; F315-Y321 HydrophobicContact CE1-CD1 4.13Å; F315-Y321 HydrophobicContact CZ-CD1 4.43Å; F315-A322 HydrophobicContact CB-CB 3.52Å; F315-A322 HydrophobicContact CD1-CB 3.74Å; F315-A322 HydrophobicContact CG-CB 3.84Å; F315-L331 HydrophobicContact CB-CD1 4.42Å; F315-L331 HydrophobicContact CB-CD2 4.17Å; F315-L331 HydrophobicContact CD1-CD1 4.24Å; F315-L331 HydrophobicContact CD2-CD1 3.53Å; F315-L331 HydrophobicContact CD2-CD2 3.91Å; F315-L331 HydrophobicContact CD2-CG 3.6Å; F315-L331 HydrophobicContact CE1-CD1 4.41Å; F315-L331 HydrophobicContact CE2-CD1 3.76Å; F315-L331 HydrophobicContact CE2-CG 3.96Å; F315-L331 HydrophobicContact CG-CD1 3.8Å; F315-L331 HydrophobicContact CG-CD2 4.27Å; F315-L331 HydrophobicContact CG-CG 4.22Å; F315-L331 HydrophobicContact CZ-CD1 4.21Å; F315-Y333 HydrophobicContact CE2-CD1 4.07Å; F315-Y333 HydrophobicContact CE2-CE1 4.4Å; F315-Y333 HydrophobicContact CZ-CD1 4.33Å
316	P	98.7	Very high	98.7	Very high	44 Å²	44	53.5 Å²	53.5	29%	0.286	28%	0.283	S	S	.	.			trans	-58.7	121.6	-174.6	-24	33.1	0	0	0	112.8	Y310 A318 F319	Y310-P316 HydrophobicContact CE1-CG 4.23Å; P316-A318 PolarHBondContact O-N 3.31Å; P316-F319 HydrophobicContact CB-CD2 3.81Å; P316-F319 HydrophobicContact CB-CE2 4.15Å; P316-F319 HydrophobicContact CG-CD2 4.08Å; P316-F319 HydrophobicContact CG-CE2 4.09Å; P316-F319 PolarHBondContact O-N 2.84Å; P316-F319 VanDerWaalsContact O-N 3.15Å
317	E	98.5	Very high	98.7	Very high	170 Å²	170	51.5 Å²	51.5	79%	0.794	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30	-177.9	-67.6	-175.1	169.9	0	0	112.9	F315 F319 H320	F315-E317 PolarHBondContact O-N 3.02Å; F315-E317 VanDerWaalsContact O-N 3.16Å; E317-F319 PolarHBondContact O-N 2.96Å; E317-H320 PolarHBondContact O-N 2.86Å
318	A	98.3	Very high	98.7	Very high	74 Å²	74	51.6 Å²	51.6	61%	0.612	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-59.1	-15.7	178.2	0	0	0	0	0	114	P316	P316-A318 PolarHBondContact O-N 3.31Å
319	F	98.8	Very high	98.7	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.5	-15.6	174	-75.4	-55.6	0	0	0	114.1	F71 F315 P316 E317 Y321 Y333 D356	F71-F319 HydrophobicContact CB-CB 4.22Å; F71-F319 HydrophobicContact CB-CD1 3.59Å; F71-F319 HydrophobicContact CB-CE1 4.34Å; F71-F319 HydrophobicContact CB-CG 4.29Å; F71-F319 HydrophobicContact CD1-CB 3.76Å; F71-F319 AromaticContact CD1-CD1 3.81Å; F71-F319 HydrophobicContact CD1-CD1 3.81Å; F71-F319 HydrophobicContact CD1-CE1 4.5Å; F71-F319 AromaticContact CD1-CG 3.83Å; F71-F319 HydrophobicContact CD1-CG 3.83Å; F71-F319 AromaticContact CD2-CD1 3.85Å; F71-F319 HydrophobicContact CD2-CD1 3.85Å; F71-F319 AromaticContact CD2-CE1 3.86Å; F71-F319 HydrophobicContact CD2-CE1 3.86Å; F71-F319 HydrophobicContact CE1-CB 4.5Å; F71-F319 HydrophobicContact CE1-CD1 4.49Å; F71-F319 HydrophobicContact CE1-CG 4.35Å; F71-F319 HydrophobicContact CE2-CE1 4.31Å; F71-F319 HydrophobicContact CG-CB 4.17Å; F71-F319 AromaticContact CG-CD1 3.44Å; F71-F319 HydrophobicContact CG-CD1 3.44Å; F71-F319 VanDerWaalsContact CG-CD1 3.44Å; F71-F319 AromaticContact CG-CE1 3.96Å; F71-F319 HydrophobicContact CG-CE1 3.96Å; F71-F319 AromaticContact CG-CG 3.98Å; F71-F319 HydrophobicContact CG-CG 3.98Å; F315-F319 HydrophobicContact CD1-CB 4.39Å; F315-F319 HydrophobicContact CD1-CD2 4.3Å; F315-F319 HydrophobicContact CE1-CB 3.65Å; F315-F319 AromaticContact CE1-CD2 3.47Å; F315-F319 HydrophobicContact CE1-CD2 3.47Å; F315-F319 VanDerWaalsContact CE1-CD2 3.47Å; F315-F319 HydrophobicContact CE1-CE2 4.42Å; F315-F319 AromaticContact CE1-CG 3.89Å; F315-F319 HydrophobicContact CE1-CG 3.89Å; F315-F319 AromaticContact CZ-CD2 3.71Å; F315-F319 HydrophobicContact CZ-CD2 3.71Å; F315-F319 HydrophobicContact CZ-CE2 4.24Å; F315-F319 HydrophobicContact CZ-CG 4.34Å; P316-F319 HydrophobicContact CB-CD2 3.81Å; P316-F319 HydrophobicContact CB-CE2 4.15Å; P316-F319 HydrophobicContact CG-CD2 4.08Å; P316-F319 HydrophobicContact CG-CE2 4.09Å; P316-F319 PolarHBondContact O-N 2.84Å; P316-F319 VanDerWaalsContact O-N 3.15Å; E317-F319 PolarHBondContact O-N 2.96Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 3.02Å; F319-Y333 HydrophobicContact CE2-CE1 4.14Å; F319-D356 HydrophobicContact CE1-CB 4.37Å; F319-D356 WeakPolarHBondContact CE1-OD1 3.33Å; F319-D356 HydrophobicContact CZ-CB 4.34Å; F319-D356 WeakPolarHBondContact CZ-OD2 3.37Å
320	H	98.8	Very high	98.7	Very high	59 Å²	59	50.9 Å²	50.9	27%	0.273	28%	0.275	S	S	.	.			trans	48.1	46.8	-178.2	-58.9	-74.8	0	0	0	113.5	Y87 E89 E317	Y87-H320 VanDerWaalsContact CB-CB 3.5Å; Y87-H320 HydrophobicContact CD1-CB 3.64Å; Y87-H320 AromaticContact CD1-CG 3.97Å; Y87-H320 HydrophobicContact CD2-CB 3.79Å; Y87-H320 AromaticContact CD2-CG 3.68Å; Y87-H320 AromaticContact CD2-ND1 3.98Å; Y87-H320 HydrophobicContact CE1-CB 4.27Å; Y87-H320 AromaticContact CE1-CD2 3.73Å; Y87-H320 HydrophobicContact CE2-CB 4.39Å; Y87-H320 AromaticContact CE2-CD2 3.79Å; Y87-H320 AromaticContact CE2-CG 3.85Å; Y87-H320 HydrophobicContact CG-CB 3.36Å; Y87-H320 AromaticContact CG-CG 3.75Å; Y87-H320 AromaticContact CZ-CD2 3.61Å; Y87-H320 AromaticContact CZ-NE2 3.99Å; E89-H320 WeakPolarHBondContact CB-O 3.22Å; E89-H320 VanDerWaalsContact CG-O 3.28Å; E89-H320 WeakPolarHBondContact CG-O 3.46Å; E89-H320 PolarHBondContact N-O 3.04Å; E89-H320 IonicContact OE1-ND1 3.42Å; E89-H320 VanDerWaalsContact OE2-C 3.28Å; E317-H320 PolarHBondContact O-N 2.86Å
321	Y	98.9	Very high	98.7	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	27%	0.266	C	S	.	.			trans	-124.1	-45.3	-170.5	-178.8	-110.3	0	0	0	115	F71 V72 I88 E89 V94 M285 F315 F319 S323 V327 L331	F71-Y321 HydrophobicContact CD1-CD1 4.3Å; F71-Y321 HydrophobicContact CD1-CD2 4.43Å; F71-Y321 AromaticContact CD1-CG 3.93Å; F71-Y321 HydrophobicContact CD1-CG 3.93Å; F71-Y321 AromaticContact CE1-CD1 3.98Å; F71-Y321 HydrophobicContact CE1-CD1 3.98Å; F71-Y321 HydrophobicContact CE1-CG 4.09Å; F71-Y321 WeakPolarHBondContact O-CD2 3.48Å; V72-Y321 HydrophobicContact CB-CE2 4.27Å; V72-Y321 HydrophobicContact CG1-CD1 4.38Å; V72-Y321 HydrophobicContact CG1-CD2 4.16Å; V72-Y321 HydrophobicContact CG1-CE1 3.95Å; V72-Y321 HydrophobicContact CG1-CE2 3.73Å; V72-Y321 HydrophobicContact CG1-CG 4.47Å; V72-Y321 HydrophobicContact CG2-CE2 3.77Å; I88-Y321 HydrophobicContact CB-CD2 4.18Å; I88-Y321 HydrophobicContact CG2-CD2 3.61Å; I88-Y321 HydrophobicContact CG2-CE2 3.7Å; E89-Y321 WeakPolarHBondContact CB-O 3.31Å; E89-Y321 PolarHBondContact OE2-N 3.16Å; E89-Y321 VanDerWaalsContact OE2-N 3.15Å; V94-Y321 HydrophobicContact CB-CE2 4.1Å; V94-Y321 WeakPolarHBondContact O-CE2 3.48Å; V94-Y321 PolarHBondContact O-OH 2.99Å; M285-Y321 HydrophobicContact CE-CE1 4.1Å; M285-Y321 WeakPolarHBondContact CE-OH 3.46Å; F315-Y321 HydrophobicContact CE1-CD1 4.13Å; F315-Y321 HydrophobicContact CZ-CD1 4.43Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 3.02Å; Y321-S323 PolarHBondContact O-N 2.77Å; Y321-V327 HydrophobicContact CE1-CG2 4.44Å; Y321-L331 HydrophobicContact CD1-CD1 3.76Å; Y321-L331 HydrophobicContact CE1-CD1 3.79Å
322	A	98.6	Very high	98.7	Very high	6 Å²	6	47.2 Å²	47.2	5%	0.05	26%	0.261	C	S	.	.	S	Bend	trans	-77.6	-22	-165.1	0	0	0	0	0	113.8	E89 K312 F315 N324 L331	E89-A322 PolarHBondContact OE2-N 2.89Å; K312-A322 WeakPolarHBondContact CE-O 3.07Å; K312-A322 HydrophobicContact CG-CB 4.44Å; F315-A322 HydrophobicContact CB-CB 3.52Å; F315-A322 HydrophobicContact CD1-CB 3.74Å; F315-A322 HydrophobicContact CG-CB 3.84Å; A322-N324 PolarHBondContact O-N 3.42Å; A322-L331 HydrophobicContact CB-CD1 4.16Å
323	S	98.3	Very high	98.7	Very high	91 Å²	91	46.4 Å²	46.4	64%	0.636	26%	0.256	S	S	*	.			trans	-79.6	41.7	-171.7	-52.6	0	0	0	0	113.7	E89 Y321	E89-S323 WeakPolarHBondContact OE2-CB 3.41Å; E89-S323 PolarHBondContact OE2-N 3.22Å; E89-S323 PolarHBondContact OE2-OG 3.06Å; Y321-S323 PolarHBondContact O-N 2.77Å
324	N	98.8	Very high	98.7	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.048	22%	0.223	C	C	.	.	S	Bend	trans	-121.5	138.1	176	-170.1	-82.4	0	0	0	112	E89 G92 V94 K312 A322 R326 V327	E89-N324 HydrophobicContact CB-CB 4.34Å; E89-N324 WeakPolarHBondContact O-CB 3.42Å; E89-N324 PolarHBondContact O-ND2 3.03Å; G92-N324 WeakPolarHBondContact CA-ND2 3.37Å; V94-N324 HydrophobicContact CG1-CB 4.03Å; K312-N324 WeakPolarHBondContact CE-O 3.39Å; K312-N324 PolarHBondContact NZ-O 2.92Å; A322-N324 PolarHBondContact O-N 3.42Å; N324-R326 PolarHBondContact O-N 2.96Å; N324-R326 VanDerWaalsContact OD1-CB 3.28Å; N324-R326 WeakPolarHBondContact OD1-CB 3.45Å; N324-R326 WeakPolarHBondContact OD1-CG 3.28Å; N324-R326 PolarHBondContact OD1-N 3.06Å; N324-V327 HydrophobicContact CB-CG2 4.18Å; N324-V327 PolarHBondContact O-N 3.16Å
325	P	98.6	Very high	98.7	Very high	123 Å²	123	37.7 Å²	37.7	80%	0.799	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.1	178.4	-27.7	35.8	0	0	0	115.6
326	R	98.8	Very high	98.7	Very high	45 Å²	45	40 Å²	40	17%	0.17	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-28.7	177.6	-66.5	169.9	174.9	-173	-4.4	112.9	G92 V94 Y99 R117 W118 N121 N324	G92-R326 WeakPolarHBondContact O-CD 3.15Å; G92-R326 PolarHBondContact O-NH1 3.06Å; V94-R326 HydrophobicContact CG2-CB 3.89Å; Y99-R326 WeakPolarHBondContact CE2-O 3.25Å; Y99-R326 VanDerWaalsContact OH-C 3.25Å; Y99-R326 PolarHBondContact OH-O 3.39Å; R117-R326 PolarHBondContact O-NH2 3.19Å; W118-R326 PolarHBondContact O-NH1 3.4Å; N121-R326 VanDerWaalsContact CB-NH2 3.34Å; N121-R326 PolarHBondContact OD1-NH2 2.86Å; N324-R326 PolarHBondContact O-N 2.96Å; N324-R326 VanDerWaalsContact OD1-CB 3.28Å; N324-R326 WeakPolarHBondContact OD1-CB 3.45Å; N324-R326 WeakPolarHBondContact OD1-CG 3.28Å; N324-R326 PolarHBondContact OD1-N 3.06Å
327	V	98.8	Very high	98.7	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	22%	0.22	C	C	.	.	S	Bend	trans	-68	132.5	179.5	176.2	0	0	0	0	109.6	V94 M285 K312 Y321 N324 L331	V94-V327 HydrophobicContact CB-CG2 4.33Å; V94-V327 HydrophobicContact CG1-CG2 4.11Å; V94-V327 HydrophobicContact CG2-CG2 4.49Å; M285-V327 HydrophobicContact CE-CG1 4.4Å; M285-V327 HydrophobicContact CE-CG2 4.18Å; K312-V327 HydrophobicContact CD-CG1 4.47Å; K312-V327 HydrophobicContact CG-CG1 4.33Å; K312-V327 PolarHBondContact NZ-O 3.09Å; Y321-V327 HydrophobicContact CE1-CG2 4.44Å; N324-V327 HydrophobicContact CB-CG2 4.18Å; N324-V327 PolarHBondContact O-N 3.16Å; V327-L331 HydrophobicContact CG1-CD1 3.9Å
328	T	98.9	Very high	98.7	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.031	19%	0.187	C	C	.	.			trans	-74.2	162.7	-176.5	51	0	0	0	0	112.8	T101 F275 M285 L286 L287 L330	T101-T328 HydrophobicContact CG2-CG2 4.08Å; F275-T328 HydrophobicContact CD1-CG2 4.42Å; M285-T328 HydrophobicContact CB-CG2 4.24Å; M285-T328 WeakPolarHBondContact CB-OG1 3.48Å; M285-T328 WeakPolarHBondContact CG-OG1 3.17Å; M285-T328 HydrophobicContact SD-CG2 4.33Å; L286-T328 PolarHBondContact N-OG1 2.85Å; L286-T328 WeakPolarHBondContact O-CB 3.44Å; L286-T328 PolarHBondContact O-OG1 2.94Å; L287-T328 HydrophobicContact CB-CG2 4.31Å; T328-L330 PolarHBondContact O-N 3.45Å; T328-L330 PolarHBondContact OG1-O 3.29Å
329	P	98.9	Very high	98.7	Very high	42 Å²	42	28.3 Å²	28.3	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-60.7	-26.4	-179.5	-26.7	36.7	0	0	0	115	L287 L293 K311 K312	L287-P329 HydrophobicContact CD1-CG 3.75Å; L293-P329 HydrophobicContact CD1-CB 4.1Å; K311-P329 WeakPolarHBondContact CA-O 3.41Å; K312-P329 PolarHBondContact N-O 3.38Å
330	L	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.5	169.1	-67.9	177.6	0	0	0	109.5	L286 P288 L293 V296 Y297 Y310 K311 T328	L286-L330 HydrophobicContact CB-CB 4.09Å; L286-L330 PolarHBondContact N-O 3.41Å; L286-L330 PolarHBondContact O-N 3.07Å; P288-L330 HydrophobicContact CG-CD1 3.79Å; P288-L330 HydrophobicContact CG-CG 4.45Å; L293-L330 HydrophobicContact CD1-CD1 4.01Å; L293-L330 HydrophobicContact CD1-CD2 3.99Å; L293-L330 HydrophobicContact CD1-CG 3.67Å; V296-L330 HydrophobicContact CB-CD1 4.13Å; V296-L330 HydrophobicContact CG1-CD1 3.58Å; Y297-L330 HydrophobicContact CD2-CD2 3.74Å; Y297-L330 HydrophobicContact CG-CD2 4.34Å; Y310-L330 WeakPolarHBondContact O-CA 3.1Å; Y310-L330 WeakPolarHBondContact O-CD2 3.24Å; K311-L330 HydrophobicContact CG-CD2 4.04Å; T328-L330 PolarHBondContact O-N 3.45Å; T328-L330 PolarHBondContact OG1-O 3.29Å
331	L	98.9	Very high	98.7	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.6	172.3	71.9	170.1	0	0	0	109.4	G284 M285 Y310 K312 F315 Y321 A322 V327	G284-L331 CarbonylContact O-C 3.11Å; G284-L331 VanDerWaalsContact O-CA 3.29Å; G284-L331 WeakPolarHBondContact O-CA 3.31Å; M285-L331 HydrophobicContact CG-CB 4.47Å; Y310-L331 PolarHBondContact N-O 3.49Å; Y310-L331 PolarHBondContact O-N 2.62Å; K312-L331 HydrophobicContact CB-CD2 4.46Å; F315-L331 HydrophobicContact CB-CD1 4.42Å; F315-L331 HydrophobicContact CB-CD2 4.17Å; F315-L331 HydrophobicContact CD1-CD1 4.24Å; F315-L331 HydrophobicContact CD2-CD1 3.53Å; F315-L331 HydrophobicContact CD2-CD2 3.91Å; F315-L331 HydrophobicContact CD2-CG 3.6Å; F315-L331 HydrophobicContact CE1-CD1 4.41Å; F315-L331 HydrophobicContact CE2-CD1 3.76Å; F315-L331 HydrophobicContact CE2-CG 3.96Å; F315-L331 HydrophobicContact CG-CD1 3.8Å; F315-L331 HydrophobicContact CG-CD2 4.27Å; F315-L331 HydrophobicContact CG-CG 4.22Å; F315-L331 HydrophobicContact CZ-CD1 4.21Å; Y321-L331 HydrophobicContact CD1-CD1 3.76Å; Y321-L331 HydrophobicContact CE1-CD1 3.79Å; A322-L331 HydrophobicContact CB-CD1 4.16Å; V327-L331 HydrophobicContact CG1-CD1 3.9Å
332	M	98.9	Very high	98.7	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.02	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	154.7	-175.1	61.7	-160.5	71.2	0	0	111.4	F262 L278 N283 G284 L286 L307 H308 V309 I340	F262-M332 HydrophobicContact CE1-SD 4.39Å; F262-M332 HydrophobicContact CE2-SD 3.91Å; F262-M332 HydrophobicContact CZ-CE 3.99Å; F262-M332 HydrophobicContact CZ-SD 3.37Å; F262-M332 WeakPolarHBondContact CZ-SD 3.45Å; L278-M332 HydrophobicContact CD2-SD 4.06Å; N283-M332 WeakPolarHBondContact CA-O 3.47Å; G284-M332 PolarHBondContact N-O 3.41Å; G284-M332 PolarHBondContact O-N 3.41Å; L286-M332 HydrophobicContact CD1-CE 3.71Å; L286-M332 HydrophobicContact CG-CE 3.93Å; L307-M332 HydrophobicContact CD1-CB 3.94Å; L307-M332 HydrophobicContact CD1-CG 3.99Å; L307-M332 HydrophobicContact CD1-SD 4.03Å; L307-M332 HydrophobicContact CD2-SD 4.44Å; H308-M332 WeakPolarHBondContact O-CA 3.48Å; H308-M332 VanDerWaalsContact O-CB 3.27Å; H308-M332 WeakPolarHBondContact O-CB 3.32Å; V309-M332 HydrophobicContact CB-CB 4.33Å; V309-M332 HydrophobicContact CG1-CB 4.48Å; V309-M332 HydrophobicContact CG1-CE 4.2Å; V309-M332 HydrophobicContact CG2-CB 3.92Å; V309-M332 HydrophobicContact CG2-CE 4.47Å; V309-M332 HydrophobicContact CG2-SD 4.44Å; M332-I340 HydrophobicContact CG-CD1 3.75Å; M332-I340 HydrophobicContact SD-CD1 4.24Å
333	Y	98.9	Very high	98.6	Very high	26 Å²	26	31.1 Å²	31.1	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157	165.6	72.6	-80.4	0	0	0	110.5	F71 P282 H308 Y310 F315 F319	F71-Y333 HydrophobicContact CZ-CG 4.43Å; P282-Y333 CarbonylContact O-C 3.55Å; P282-Y333 WeakPolarHBondContact O-CA 3.39Å; H308-Y333 HydrophobicContact CB-CD1 4.11Å; H308-Y333 HydrophobicContact CB-CE1 3.73Å; H308-Y333 HydrophobicContact CB-CE2 4.5Å; H308-Y333 AromaticContact CD2-CD2 3.92Å; H308-Y333 AromaticContact CD2-CE2 3.42Å; H308-Y333 VanDerWaalsContact CD2-CE2 3.42Å; H308-Y333 WeakPolarHBondContact CD2-CE2 3.3Å; H308-Y333 AromaticContact CD2-CZ 3.56Å; H308-Y333 AromaticContact CG-CZ 3.9Å; H308-Y333 PolarHBondContact N-O 3.35Å; H308-Y333 PolarHBondContact O-N 2.93Å; H308-Y333 VanDerWaalsContact O-N 3.15Å; Y310-Y333 HydrophobicContact CE2-CD1 4.22Å; Y310-Y333 AromaticContact CE2-CE1 3.66Å; Y310-Y333 HydrophobicContact CE2-CE1 3.66Å; F315-Y333 HydrophobicContact CE2-CD1 4.07Å; F315-Y333 HydrophobicContact CE2-CE1 4.4Å; F315-Y333 HydrophobicContact CZ-CD1 4.33Å; F319-Y333 HydrophobicContact CE2-CE1 4.14Å
334	S	98.8	Very high	98.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	160.4	175	47	0	0	0	0	113.1	P282 K306 Y338	P282-S334 VanDerWaalsContact CA-OG 3.29Å; P282-S334 WeakPolarHBondContact CA-OG 3.41Å; P282-S334 VanDerWaalsContact CB-OG 3.27Å; P282-S334 WeakPolarHBondContact CB-OG 3.34Å; P282-S334 PolarHBondContact O-N 2.8Å; P282-S334 PolarHBondContact O-OG 3.24Å; K306-S334 CarbonylContact O-C 3.56Å; K306-S334 WeakPolarHBondContact O-CA 3.25Å; K306-S334 VanDerWaalsContact O-CB 3.25Å; K306-S334 WeakPolarHBondContact O-CB 3.33Å; S334-Y338 PolarHBondContact OG-O 3.13Å
335	D	98.8	Very high	98.5	Very high	59 Å²	59	33 Å²	33	32%	0.316	17%	0.174	S	C	.	.			trans	-59.3	155.2	175.8	-72.3	-18.7	0	0	0	112.5	K306 H308 G337 Y338 F355	K306-D335 WeakPolarHBondContact CA-OD2 3.36Å; K306-D335 HydrophobicContact CB-CB 4.02Å; K306-D335 WeakPolarHBondContact CB-OD2 3.2Å; K306-D335 HydrophobicContact CG-CB 4.39Å; K306-D335 WeakPolarHBondContact CG-OD2 3.4Å; K306-D335 PolarHBondContact O-N 2.81Å; H308-D335 IonicContact CD2-OD1 2.88Å; H308-D335 IonicContact CE1-OD1 3.58Å; H308-D335 IonicContact NE2-OD1 2.87Å; H308-D335 PolarHBondContact NE2-OD1 2.97Å; D335-G337 PolarHBondContact O-N 3.32Å; D335-Y338 WeakPolarHBondContact O-CB 3.3Å; D335-Y338 PolarHBondContact O-N 2.82Å; D335-F355 VanDerWaalsContact O-CE1 3.25Å; D335-F355 WeakPolarHBondContact O-CE1 3.4Å
336	L	98.6	Very high	98.4	Very high	60 Å²	60	30.9 Å²	30.9	31%	0.314	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	129.5	178.1	-165	71.4	0	0	0	112.1	T250 Y338 F355 D359 D361 M362	T250-L336 HydrophobicContact CG2-CD1 3.58Å; T250-L336 HydrophobicContact CG2-CG 3.99Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; L336-F355 HydrophobicContact CD1-CB 3.8Å; L336-F355 HydrophobicContact CD1-CD1 4.23Å; L336-F355 HydrophobicContact CD1-CD2 3.86Å; L336-F355 HydrophobicContact CD1-CG 3.7Å; L336-D359 HydrophobicContact CD1-CB 4.08Å; L336-D359 HydrophobicContact CD2-CB 4.37Å; L336-D361 HydrophobicContact CD1-CB 4.35Å; L336-D361 HydrophobicContact CD2-CB 4.35Å; L336-M362 HydrophobicContact CD1-CE 4.49Å
337	G	98.2	Very high	98.3	Very high	7 Å²	7	30.4 Å²	30.4	7%	0.072	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-4.8	-179.9	0	0	0	0	0	115.4	T251 V252 D253 D335 F355	T251-G337 WeakPolarHBondContact O-CA 3.44Å; V252-G337 WeakPolarHBondContact CA-O 3.4Å; D253-G337 PolarHBondContact N-O 3.2Å; D335-G337 PolarHBondContact O-N 3.32Å; G337-F355 VanDerWaalsContact N-CE1 3.31Å
338	Y	98.6	Very high	98.2	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.094	19%	0.188	C	C	.	.			trans	-109.8	128.5	176.4	-74.5	-101.4	0	0	0	111.3	A256 D258 V260 K306 S334 D335 L336 F355	A256-Y338 HydrophobicContact CB-CE1 3.75Å; A256-Y338 VanDerWaalsContact CB-OH 3.25Å; A256-Y338 WeakPolarHBondContact CB-OH 3.42Å; D258-Y338 VanDerWaalsContact O-CE1 3.28Å; D258-Y338 WeakPolarHBondContact O-CE1 3.44Å; D258-Y338 WeakPolarHBondContact OD1-CE1 3.34Å; D258-Y338 PolarHBondContact OD1-OH 3.22Å; V260-Y338 HydrophobicContact CG2-CD1 4.39Å; K306-Y338 HydrophobicContact CD-CD1 4.02Å; K306-Y338 HydrophobicContact CD-CD2 3.74Å; K306-Y338 HydrophobicContact CD-CE1 3.81Å; K306-Y338 HydrophobicContact CD-CE2 3.53Å; K306-Y338 HydrophobicContact CD-CG 4Å; K306-Y338 PolarHBondContact NZ-OH 2.97Å; S334-Y338 PolarHBondContact OG-O 3.13Å; D335-Y338 WeakPolarHBondContact O-CB 3.3Å; D335-Y338 PolarHBondContact O-N 2.82Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; Y338-F355 VanDerWaalsContact O-CE1 3.31Å; Y338-F355 WeakPolarHBondContact O-CE1 3.4Å
339	V	98.5	Very high	98.1	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.067	20%	0.203	C	C	.	.			trans	-100.6	158.7	172.1	-60.4	0	0	0	0	111.1	V252 Q347 E352	V252-V339 HydrophobicContact CG1-CG1 4.31Å; V252-V339 HydrophobicContact CG2-CG1 4.13Å; V339-Q347 HydrophobicContact CG2-CB 4.26Å; V339-E352 HydrophobicContact CG1-CB 4.3Å; V339-E352 HydrophobicContact CG1-CG 3.97Å
340	I	98.7	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.9	-178.7	-57.9	178.4	0	0	0	110.3	V260 F262 L278 D279 G281 P282 L307 M332 Q347	V260-I340 HydrophobicContact CG1-CG1 4.44Å; V260-I340 HydrophobicContact CG1-CG2 4.43Å; F262-I340 HydrophobicContact CD2-CG2 3.85Å; F262-I340 HydrophobicContact CE2-CG2 3.54Å; L278-I340 HydrophobicContact CD2-CG2 4.04Å; D279-I340 PolarHBondContact N-O 2.89Å; G281-I340 PolarHBondContact O-N 3.49Å; P282-I340 VanDerWaalsContact O-CD1 3.25Å; P282-I340 WeakPolarHBondContact O-CD1 3.4Å; L307-I340 HydrophobicContact CD1-CD1 3.56Å; L307-I340 HydrophobicContact CD1-CG1 4.03Å; M332-I340 HydrophobicContact CG-CD1 3.75Å; M332-I340 HydrophobicContact SD-CD1 4.24Å; I340-Q347 PolarHBondContact O-NE2 3.11Å
341	H	98.4	Very high	98.1	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.9	173.2	-59.7	-66	0	0	0	111.1	V260 E261 F262 D279 N345	V260-H341 WeakPolarHBondContact O-CB 3.44Å; V260-H341 PolarHBondContact O-N 3.04Å; E261-H341 HydrophobicContact CG-CB 4.18Å; F262-H341 WeakPolarHBondContact CB-O 3.2Å; F262-H341 WeakPolarHBondContact CD2-O 3.41Å; F262-H341 PolarHBondContact N-O 2.86Å; D279-H341 WeakPolarHBondContact OD1-CA 3.2Å; H341-N345 WeakPolarHBondContact CB-OD1 3.39Å
342	G	98.3	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.			trans	-84.2	-109.6	-178.1	0	0	0	0	0	112.5	F262 H263 D279	F262-G342 WeakPolarHBondContact CB-O 3.25Å; H263-G342 PolarHBondContact CD2-O 3.44Å; H263-G342 PolarHBondContact N-O 3.34Å; D279-G342 PolarHBondContact OD1-N 3.16Å; D279-G342 WeakPolarHBondContact OD2-CA 3.33Å; D279-G342 PolarHBondContact OD2-N 2.97Å
343	R	98	Very high	98.1	Very high	127 Å²	127	41.7 Å²	41.7	48%	0.479	21%	0.209	S	C	.	.	S	Bend	trans	-76.7	-28.9	-174.7	-64.1	177.5	-176.1	-86.1	-11.2	113	H263 F270 E276	H263-R343 WeakPolarHBondContact CB-O 3.29Å; F270-R343 VanDerWaalsContact CB-NH1 3.26Å; F270-R343 HydrophobicContact CD1-CG 4.25Å; F270-R343 HydrophobicContact CD2-CG 3.88Å; F270-R343 HydrophobicContact CE1-CG 4.03Å; F270-R343 HydrophobicContact CE2-CB 4.28Å; F270-R343 HydrophobicContact CE2-CG 3.64Å; F270-R343 HydrophobicContact CG-CG 4.18Å; F270-R343 HydrophobicContact CZ-CG 3.72Å; E276-R343 IonicContact OE1-CZ 3.22Å; E276-R343 VanDerWaalsContact OE1-CZ 3.23Å; E276-R343 IonicContact OE1-NE 2.69Å; E276-R343 PolarHBondContact OE1-NE 3.35Å; E276-R343 IonicContact OE1-NH2 3.67Å; E276-R343 PolarHBondContact OE1-NH2 2.84Å; E276-R343 IonicContact OE2-CZ 3.45Å; E276-R343 IonicContact OE2-NE 2.79Å; E276-R343 IonicContact OE2-NH2 2.95Å; E276-R343 PolarHBondContact OE2-NH2 2.99Å
344	V	96.9	Very high	98.1	Very high	91 Å²	91	40.5 Å²	40.5	55%	0.552	20%	0.204	S	C	*	.	S	Bend	trans	-161.2	151.5	-178	59.8	0	0	0	0	107.6	V346	V344-V346 HydrophobicContact CG1-CG1 3.85Å; V344-V346 PolarHBondContact O-N 3.33Å
345	N	96.6	Very high	98.1	Very high	47 Å²	47	40.4 Å²	40.4	25%	0.251	20%	0.204	S	C	.	.			trans	-77.4	113.4	-176.2	-55.3	11.9	0	0	0	109.2	E261 H263 H341	E261-N345 PolarHBondContact OE1-ND2 2.9Å; E261-N345 PolarHBondContact OE1-OD1 2.97Å; H263-N345 PolarHBondContact NE2-OD1 3.27Å; H341-N345 WeakPolarHBondContact CB-OD1 3.39Å
346	V	96.4	Very high	98.1	Very high	79 Å²	79	38.6 Å²	38.6	48%	0.479	19%	0.194	S	C	.	.			trans	-123.2	4.5	-179.2	-60.7	0	0	0	0	113.7	D279 V344 F348	D279-V346 HydrophobicContact CB-CG2 3.74Å; V344-V346 HydrophobicContact CG1-CG1 3.85Å; V344-V346 PolarHBondContact O-N 3.33Å; V346-F348 VanDerWaalsContact C-CE2 3.49Å; V346-F348 WeakPolarHBondContact O-CD2 3.41Å; V346-F348 WeakPolarHBondContact O-CE2 3.35Å
347	Q	97.1	Very high	98.1	Very high	35 Å²	35	36.2 Å²	36.2	16%	0.164	18%	0.181	C	C	.	.			trans	-102.9	127.4	-176.3	-57	-169.7	73.7	0	0	110.2	V339 I340	V339-Q347 HydrophobicContact CG2-CB 4.26Å; I340-Q347 PolarHBondContact O-NE2 3.11Å
348	F	96.3	Very high	98.1	Very high	148 Å²	148	41.7 Å²	41.7	65%	0.649	20%	0.203	S	C	*	.			trans	-136.2	13.9	-173.1	-52.2	-74.5	0	0	0	113.5	K254 V346	K254-F348 WeakPolarHBondContact CE-O 3.49Å; K254-F348 PolarHBondContact NZ-O 3.44Å; V346-F348 VanDerWaalsContact C-CE2 3.49Å; V346-F348 WeakPolarHBondContact O-CD2 3.41Å; V346-F348 WeakPolarHBondContact O-CE2 3.35Å
349	N	97.6	Very high	98.1	Very high	68 Å²	68	43 Å²	43	36%	0.364	21%	0.212	S	C	.	.			trans	-64.5	145.2	174.3	-68.2	-13.5	0	0	0	110.5	H203 K254 G351 E352	H203-N349 HydrophobicContact CB-CB 4.43Å; H203-N349 PolarHBondContact ND1-ND2 2.9Å; H203-N349 CarbonylContact O-C 3.4Å; H203-N349 WeakPolarHBondContact O-CA 3.26Å; H203-N349 WeakPolarHBondContact O-CB 3.47Å; K254-N349 WeakPolarHBondContact CE-O 3.48Å; K254-N349 PolarHBondContact NZ-O 3.4Å; N349-G351 VanDerWaalsContact CB-O 3.24Å; N349-G351 WeakPolarHBondContact CB-O 3.48Å; N349-E352 PolarHBondContact ND2-OE2 2.93Å
350	N	98.4	Very high	98.1	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	23%	0.227	S	C	.	.	S	Bend	trans	-83.7	-31.5	172.9	-77.5	20	0	0	0	111.5	H203 Y205 V252 K254	H203-N350 PolarHBondContact O-N 3.01Å; Y205-N350 VanDerWaalsContact C-CB 3.4Å; Y205-N350 WeakPolarHBondContact O-CB 3.45Å; Y205-N350 PolarHBondContact O-ND2 3.37Å; V252-N350 PolarHBondContact N-O 3.42Å; K254-N350 PolarHBondContact NZ-OD1 2.78Å
351	G	98.7	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.8	172.4	0	0	0	0	0	110.8	G202 H203 T250 N349	G202-G351 WeakPolarHBondContact O-CA 3.43Å; G202-G351 PolarHBondContact O-N 3Å; H203-G351 WeakPolarHBondContact CA-O 3.48Å; H203-G351 PolarHBondContact ND1-O 3.37Å; H203-G351 PolarHBondContact O-N 3.44Å; T250-G351 CarbonylContact O-C 3.46Å; T250-G351 WeakPolarHBondContact O-CA 3.28Å; N349-G351 VanDerWaalsContact CB-O 3.24Å; N349-G351 WeakPolarHBondContact CB-O 3.48Å
352	E	98.8	Very high	98.2	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.6	173.5	-159.3	52.6	-149.8	0	0	111.6	H203 M249 T250 V252 V339 N349 F355	H203-E352 IonicContact CE1-OE1 3.59Å; H203-E352 PolarHBondContact CE1-OE1 3.48Å; H203-E352 IonicContact CE1-OE2 3.7Å; H203-E352 PolarHBondContact CE1-OE2 2.67Å; H203-E352 IonicContact ND1-OE2 3.5Å; H203-E352 PolarHBondContact ND1-OE2 2.84Å; M249-E352 VanDerWaalsContact SD-CA 3.55Å; M249-E352 PolarHBondContact SD-N 3.13Å; T250-E352 PolarHBondContact N-O 3.22Å; T250-E352 PolarHBondContact O-N 3.31Å; V252-E352 HydrophobicContact CG2-CB 3.43Å; V252-E352 VanDerWaalsContact CG2-CB 3.43Å; V339-E352 HydrophobicContact CG1-CB 4.3Å; V339-E352 HydrophobicContact CG1-CG 3.97Å; N349-E352 PolarHBondContact ND2-OE2 2.93Å; E352-F355 HydrophobicContact CB-CE2 4.12Å; E352-F355 HydrophobicContact CB-CZ 4.44Å; E352-F355 WeakPolarHBondContact O-CE2 3.38Å
353	H	98.9	Very high	98.2	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.032	24%	0.237	C	C	.	.			trans	-131.5	-174.7	174.7	65.4	84.2	0	0	0	109.6	T73 D199 H203 H247 M249 P282 M362	T73-H353 PolarHBondContact O-ND1 3.29Å; D199-H353 IonicContact OD1-CD2 2.9Å; D199-H353 IonicContact OD1-NE2 3.01Å; H203-H353 AromaticContact CE1-CD2 3.29Å; H203-H353 PolarHBondContact CE1-CD2 3.25Å; H203-H353 AromaticContact CE1-NE2 3.52Å; H203-H353 AromaticContact NE2-CD2 3.34Å; H203-H353 PolarHBondContact NE2-CD2 2.96Å; H203-H353 VanDerWaalsContact NE2-CD2 3.34Å; H203-H353 AromaticContact NE2-NE2 3.23Å; H203-H353 PolarHBondContact NE2-NE2 3.42Å; H247-H353 AromaticContact CD2-ND1 3.77Å; H247-H353 AromaticContact CE1-CD2 3.32Å; H247-H353 PolarHBondContact CE1-CD2 3.05Å; H247-H353 AromaticContact CE1-CE1 3.42Å; H247-H353 PolarHBondContact CE1-CE1 3.42Å; H247-H353 VanDerWaalsContact CE1-CE1 3.42Å; H247-H353 AromaticContact CE1-CG 3.32Å; H247-H353 AromaticContact CE1-ND1 3.37Å; H247-H353 PolarHBondContact CE1-ND1 2.92Å; H247-H353 AromaticContact CE1-NE2 3.44Å; H247-H353 PolarHBondContact CE1-NE2 2.96Å; H247-H353 AromaticContact CG-ND1 3.98Å; H247-H353 AromaticContact ND1-CD2 3.86Å; H247-H353 AromaticContact ND1-CG 3.48Å; H247-H353 AromaticContact ND1-ND1 3.73Å; H247-H353 AromaticContact NE2-CD2 3.95Å; H247-H353 AromaticContact NE2-CE1 3.23Å; H247-H353 PolarHBondContact NE2-CE1 2.95Å; H247-H353 AromaticContact NE2-CG 3.79Å; H247-H353 AromaticContact NE2-ND1 3.33Å; H247-H353 PolarHBondContact NE2-ND1 3.16Å; H247-H353 AromaticContact NE2-NE2 3.66Å; M249-H353 HydrophobicContact SD-CB 4.48Å; P282-H353 WeakPolarHBondContact CD-O 3.25Å; P282-H353 WeakPolarHBondContact CG-O 3.35Å; H353-M362 HydrophobicContact CB-CE 4.23Å; H353-M362 HydrophobicContact CB-SD 4.02Å
354	G	98.8	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	100	-4.8	-174.6	0	0	0	0	0	113.9	T73 P282 N283	T73-G354 WeakPolarHBondContact O-CA 3.47Å; T73-G354 PolarHBondContact O-N 2.67Å; T73-G354 VanDerWaalsContact O-N 3.12Å; T73-G354 WeakPolarHBondContact OG1-CA 3.07Å; T73-G354 PolarHBondContact OG1-N 3.15Å; P282-G354 VanDerWaalsContact CG-C 3.46Å; N283-G354 PolarHBondContact ND2-O 3.33Å
355	F	98.9	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-69.3	-179.8	178.8	-57	-84.7	0	0	0	112.5	T73 T250 P282 D335 L336 G337 Y338 E352 N357 M362	T73-F355 PolarHBondContact OG1-N 3.17Å; T73-F355 VanDerWaalsContact OG1-N 3.16Å; T73-F355 PolarHBondContact OG1-O 3.15Å; T250-F355 HydrophobicContact CG2-CD2 3.67Å; T250-F355 HydrophobicContact CG2-CE2 3.28Å; T250-F355 HydrophobicContact CG2-CZ 3.89Å; P282-F355 HydrophobicContact CB-CD1 3.49Å; P282-F355 VanDerWaalsContact CB-CD1 3.49Å; P282-F355 HydrophobicContact CB-CE1 3.34Å; P282-F355 HydrophobicContact CB-CG 4.22Å; P282-F355 HydrophobicContact CB-CZ 3.91Å; P282-F355 HydrophobicContact CG-CD1 3.62Å; P282-F355 HydrophobicContact CG-CD2 4.05Å; P282-F355 HydrophobicContact CG-CE1 3.69Å; P282-F355 HydrophobicContact CG-CE2 4.06Å; P282-F355 HydrophobicContact CG-CG 3.82Å; P282-F355 HydrophobicContact CG-CZ 3.91Å; D335-F355 VanDerWaalsContact O-CE1 3.25Å; D335-F355 WeakPolarHBondContact O-CE1 3.4Å; L336-F355 HydrophobicContact CD1-CB 3.8Å; L336-F355 HydrophobicContact CD1-CD1 4.23Å; L336-F355 HydrophobicContact CD1-CD2 3.86Å; L336-F355 HydrophobicContact CD1-CG 3.7Å; G337-F355 VanDerWaalsContact N-CE1 3.31Å; Y338-F355 VanDerWaalsContact O-CE1 3.31Å; Y338-F355 WeakPolarHBondContact O-CE1 3.4Å; E352-F355 HydrophobicContact CB-CE2 4.12Å; E352-F355 HydrophobicContact CB-CZ 4.44Å; E352-F355 WeakPolarHBondContact O-CE2 3.38Å; F355-N357 PolarHBondContact O-N 3.26Å; F355-M362 HydrophobicContact CB-CG 3.87Å; F355-M362 HydrophobicContact CB-SD 3.96Å; F355-M362 HydrophobicContact CD2-CE 3.89Å; F355-M362 HydrophobicContact CD2-SD 3.89Å; F355-M362 HydrophobicContact CG-SD 4.43Å
356	D	98.9	Very high	98.5	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.112	18%	0.177	C	C	.	.			trans	-50.7	125.6	176.3	-172.3	-26.1	0	0	0	110	F319 K358 D359 M362	F319-D356 HydrophobicContact CE1-CB 4.37Å; F319-D356 WeakPolarHBondContact CE1-OD1 3.33Å; F319-D356 HydrophobicContact CZ-CB 4.34Å; F319-D356 WeakPolarHBondContact CZ-OD2 3.37Å; D356-K358 PolarHBondContact O-N 2.92Å; D356-K358 VanDerWaalsContact O-N 3.08Å; D356-K358 WeakPolarHBondContact OD1-CB 3.36Å; D356-K358 WeakPolarHBondContact OD1-CE 3.36Å; D356-K358 WeakPolarHBondContact OD1-CG 3.04Å; D356-K358 PolarHBondContact OD1-N 3.43Å; D356-K358 IonicContact OD1-NZ 2.77Å; D356-K358 PolarHBondContact OD1-NZ 2.67Å; D356-K358 WeakPolarHBondContact OD2-CE 3.29Å; D356-K358 IonicContact OD2-NZ 3.28Å; D356-K358 PolarHBondContact OD2-NZ 2.83Å; D356-D359 WeakPolarHBondContact O-CB 3.44Å; D356-D359 PolarHBondContact O-N 3.33Å; D356-M362 WeakPolarHBondContact O-CG 3.34Å
357	N	98.8	Very high	98.6	Very high	10 Å²	10	32 Å²	32	5%	0.053	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.6	-179.9	66.5	-24	0	0	0	113	T68 P69 F71 T73 F355 K363	T68-N357 HydrophobicContact CG2-CB 4.42Å; P69-N357 HydrophobicContact CG-CB 4.32Å; P69-N357 VanDerWaalsContact O-CB 3.26Å; P69-N357 WeakPolarHBondContact O-CB 3.41Å; P69-N357 PolarHBondContact O-ND2 2.83Å; F71-N357 HydrophobicContact CB-CB 4.21Å; T73-N357 HydrophobicContact CG2-CB 3.69Å; F355-N357 PolarHBondContact O-N 3.26Å; N357-K363 WeakPolarHBondContact O-CE 3.27Å; N357-K363 PolarHBondContact O-NZ 2.95Å
358	K	98.8	Very high	98.7	Very high	122 Å²	122	30.4 Å²	30.4	53%	0.53	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.1	170.4	-65.5	-177.1	-63.2	-60.2	0	112.7	D356 K363	D356-K358 PolarHBondContact O-N 2.92Å; D356-K358 VanDerWaalsContact O-N 3.08Å; D356-K358 WeakPolarHBondContact OD1-CB 3.36Å; D356-K358 WeakPolarHBondContact OD1-CE 3.36Å; D356-K358 WeakPolarHBondContact OD1-CG 3.04Å; D356-K358 PolarHBondContact OD1-N 3.43Å; D356-K358 IonicContact OD1-NZ 2.77Å; D356-K358 PolarHBondContact OD1-NZ 2.67Å; D356-K358 WeakPolarHBondContact OD2-CE 3.29Å; D356-K358 IonicContact OD2-NZ 3.28Å; D356-K358 PolarHBondContact OD2-NZ 2.83Å; K358-K363 VanDerWaalsContact O-CE 3.32Å; K358-K363 WeakPolarHBondContact O-CE 3.48Å; K358-K363 PolarHBondContact O-NZ 3.36Å
359	D	98.9	Very high	98.8	Very high	50 Å²	50	24.2 Å²	24.2	27%	0.267	12%	0.121	S	C	.	.	S	Bend	trans	-64	135.9	-180	-70.6	-37.8	0	0	0	111.2	L336 D356 D361 M362	L336-D359 HydrophobicContact CD1-CB 4.08Å; L336-D359 HydrophobicContact CD2-CB 4.37Å; D356-D359 WeakPolarHBondContact O-CB 3.44Å; D356-D359 PolarHBondContact O-N 3.33Å; D359-D361 PolarHBondContact O-N 3.07Å; D359-M362 HydrophobicContact CB-CG 4.27Å; D359-M362 PolarHBondContact O-N 2.93Å
360	M	98.9	Very high	98.8	Very high	79 Å²	79	22 Å²	22	39%	0.389	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-61.6	-31.6	-178.5	-76.4	-56.2	-55.6	0	0	112.4	W43 Y66 M362 K363	W43-M360 HydrophobicContact CD2-CE 4.07Å; W43-M360 VanDerWaalsContact CE2-CE 3.44Å; W43-M360 HydrophobicContact CH2-CE 4.16Å; W43-M360 HydrophobicContact CZ2-CE 3.5Å; W43-M360 PolarHBondContact NE1-O 3.13Å; W43-M360 VanDerWaalsContact NE1-O 3.12Å; Y66-M360 HydrophobicContact CD1-CE 3.96Å; Y66-M360 HydrophobicContact CE1-CE 3.92Å; Y66-M360 HydrophobicContact CE1-SD 4.26Å; M360-M362 PolarHBondContact O-N 3.06Å; M360-K363 HydrophobicContact CE-CG 4.09Å; M360-K363 WeakPolarHBondContact O-CB 3.35Å; M360-K363 WeakPolarHBondContact O-CG 3.24Å; M360-K363 PolarHBondContact O-N 3.31Å; M360-K363 HydrophobicContact SD-CG 4.01Å
361	D	98.9	Very high	98.8	Very high	40 Å²	40	21.3 Å²	21.3	21%	0.214	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-69.7	-20.8	178.7	-79.6	5.6	0	0	0	113.1	R42 G248 M249 T250 L336 D359	R42-D361 VanDerWaalsContact CD-O 3.25Å; R42-D361 WeakPolarHBondContact CD-O 3.31Å; R42-D361 WeakPolarHBondContact CG-O 3.43Å; R42-D361 IonicContact NH1-OD1 3.43Å; R42-D361 IonicContact NH1-OD2 3.44Å; G248-D361 CarbonylContact C-O 3.56Å; G248-D361 VanDerWaalsContact CA-O 3.26Å; G248-D361 WeakPolarHBondContact CA-O 3.41Å; M249-D361 PolarHBondContact N-O 2.98Å; T250-D361 VanDerWaalsContact CB-OD2 3.3Å; T250-D361 WeakPolarHBondContact CB-OD2 3.44Å; T250-D361 PolarHBondContact OG1-OD2 3.14Å; L336-D361 HydrophobicContact CD1-CB 4.35Å; L336-D361 HydrophobicContact CD2-CB 4.35Å; D359-D361 PolarHBondContact O-N 3.07Å
362	M	98.9	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-88.5	-10.7	176.3	-65	-60.7	95.5	0	0	113	P69 T73 G248 T250 L336 H353 F355 D356 D359 M360	P69-M362 WeakPolarHBondContact CD-O 3.28Å; P69-M362 VanDerWaalsContact CG-O 3.3Å; P69-M362 WeakPolarHBondContact CG-O 3.31Å; T73-M362 HydrophobicContact CG2-CB 4.27Å; T73-M362 PolarHBondContact OG1-SD 3.11Å; G248-M362 PolarHBondContact N-O 2.89Å; T250-M362 HydrophobicContact CG2-CE 4.28Å; L336-M362 HydrophobicContact CD1-CE 4.49Å; H353-M362 HydrophobicContact CB-CE 4.23Å; H353-M362 HydrophobicContact CB-SD 4.02Å; F355-M362 HydrophobicContact CB-CG 3.87Å; F355-M362 HydrophobicContact CB-SD 3.96Å; F355-M362 HydrophobicContact CD2-CE 3.89Å; F355-M362 HydrophobicContact CD2-SD 3.89Å; F355-M362 HydrophobicContact CG-SD 4.43Å; D356-M362 WeakPolarHBondContact O-CG 3.34Å; D359-M362 HydrophobicContact CB-CG 4.27Å; D359-M362 PolarHBondContact O-N 2.93Å; M360-M362 PolarHBondContact O-N 3.06Å
363	K	98.9	Very high	98.8	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.048	12%	0.121	C	C	.	.			trans	-67.6	146.6	177.4	-49	-59.4	-177.1	176.9	0	110.5	W43 Y66 T68 N357 K358 M360	W43-K363 HydrophobicContact CB-CB 3.97Å; W43-K363 HydrophobicContact CG-CB 3.92Å; W43-K363 PolarHBondContact N-O 3.2Å; Y66-K363 HydrophobicContact CD2-CB 3.93Å; Y66-K363 HydrophobicContact CD2-CD 3.79Å; Y66-K363 HydrophobicContact CD2-CG 3.82Å; Y66-K363 HydrophobicContact CE2-CD 3.87Å; Y66-K363 HydrophobicContact CE2-CG 4.15Å; Y66-K363 HydrophobicContact CG-CB 4.06Å; Y66-K363 HydrophobicContact CG-CG 4.21Å; T68-K363 PolarHBondContact OG1-NZ 3.4Å; N357-K363 WeakPolarHBondContact O-CE 3.27Å; N357-K363 PolarHBondContact O-NZ 2.95Å; K358-K363 VanDerWaalsContact O-CE 3.32Å; K358-K363 WeakPolarHBondContact O-CE 3.48Å; K358-K363 PolarHBondContact O-NZ 3.36Å; M360-K363 HydrophobicContact CE-CG 4.09Å; M360-K363 WeakPolarHBondContact O-CB 3.35Å; M360-K363 WeakPolarHBondContact O-CG 3.24Å; M360-K363 PolarHBondContact O-N 3.31Å; M360-K363 HydrophobicContact SD-CG 4.01Å
364	T	98.9	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-123.9	177	-174.8	-166.5	0	0	0	0	111.7	F41 M67 S245 H247	F41-T364 PolarHBondContact O-OG1 3.36Å; M67-T364 HydrophobicContact CB-CG2 4Å; M67-T364 HydrophobicContact CE-CG2 3.47Å; M67-T364 VanDerWaalsContact CE-CG2 3.47Å; M67-T364 HydrophobicContact CG-CG2 4.48Å; M67-T364 PolarHBondContact N-O 3.21Å; M67-T364 PolarHBondContact O-N 3.3Å; S245-T364 WeakPolarHBondContact CB-OG1 3.43Å; S245-T364 PolarHBondContact OG-OG1 3.45Å; H247-T364 PolarHBondContact O-OG1 2.74Å
365	I	98.9	Very high	98.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.16	C	C	.	.			trans	-89.9	152.9	-178.8	57.4	162.6	0	0	0	112.6	F41 I243 T244 S245	F41-I365 HydrophobicContact CB-CD1 4.19Å; F41-I365 HydrophobicContact CB-CG1 4.15Å; F41-I365 HydrophobicContact CD1-CB 4.3Å; F41-I365 HydrophobicContact CD1-CD1 3.6Å; F41-I365 HydrophobicContact CD1-CG1 3.79Å; F41-I365 HydrophobicContact CD1-CG2 3.54Å; F41-I365 HydrophobicContact CD2-CD1 4.17Å; F41-I365 HydrophobicContact CE1-CD1 3.97Å; F41-I365 HydrophobicContact CE1-CG1 4.47Å; F41-I365 HydrophobicContact CE1-CG2 3.74Å; F41-I365 HydrophobicContact CG-CD1 3.72Å; F41-I365 HydrophobicContact CG-CG1 4.07Å; F41-I365 HydrophobicContact CZ-CD1 4.42Å; I243-I365 HydrophobicContact CG2-CD1 4.41Å; T244-I365 WeakPolarHBondContact CA-O 3.41Å; T244-I365 PolarHBondContact OG1-O 2.85Å; S245-I365 PolarHBondContact N-O 3.19Å
366	F	98.9	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.8	158.9	-179.2	-84.8	0	0	0	109.5	A64 M67 I242 A368 F382 V387 L390 M412	A64-F366 HydrophobicContact CB-CB 3.97Å; A64-F366 PolarHBondContact N-O 3.21Å; M67-F366 HydrophobicContact CB-CB 4.22Å; M67-F366 HydrophobicContact SD-CB 4.3Å; M67-F366 HydrophobicContact SD-CD2 4.19Å; I242-F366 HydrophobicContact CD1-CZ 4.45Å; I242-F366 HydrophobicContact CG2-CD2 4.16Å; I242-F366 HydrophobicContact CG2-CE2 3.57Å; I242-F366 HydrophobicContact CG2-CZ 4Å; F366-A368 HydrophobicContact CE1-CB 3.95Å; F366-A368 HydrophobicContact CZ-CB 4.22Å; F366-F382 HydrophobicContact CB-CE1 4.4Å; F366-F382 HydrophobicContact CB-CZ 3.87Å; F366-F382 HydrophobicContact CD1-CE1 4.21Å; F366-F382 AromaticContact CD1-CZ 3.82Å; F366-F382 HydrophobicContact CD1-CZ 3.82Å; F366-F382 HydrophobicContact CD2-CE2 4.44Å; F366-F382 AromaticContact CD2-CZ 3.81Å; F366-F382 HydrophobicContact CD2-CZ 3.81Å; F366-F382 HydrophobicContact CE1-CZ 4.3Å; F366-F382 HydrophobicContact CE2-CZ 4.27Å; F366-F382 HydrophobicContact CG-CE1 4.27Å; F366-F382 AromaticContact CG-CZ 3.56Å; F366-F382 HydrophobicContact CG-CZ 3.56Å; F366-V387 HydrophobicContact CD2-CG2 4.26Å; F366-V387 HydrophobicContact CE2-CG1 4.32Å; F366-V387 HydrophobicContact CE2-CG2 4.06Å; F366-L390 HydrophobicContact CE2-CD2 4.48Å; F366-L390 HydrophobicContact CZ-CD2 3.75Å; F366-M412 HydrophobicContact CD1-CE 4Å; F366-M412 HydrophobicContact CD1-SD 4.49Å; F366-M412 HydrophobicContact CE1-CE 3.7Å; F366-M412 HydrophobicContact CE1-SD 3.63Å; F366-M412 HydrophobicContact CZ-CE 4.48Å; F366-M412 HydrophobicContact CZ-SD 4.17Å
367	R	98.9	Very high	98.7	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.9	176.5	-57.3	-70.5	169.4	86	6.3	108.6	D46 M57 V62 I242 I243	D46-R367 IonicContact OD2-CZ 2.65Å; D46-R367 IonicContact OD2-NH1 3.69Å; D46-R367 IonicContact OD2-NH2 3.55Å; D46-R367 PolarHBondContact OD2-NH2 3.3Å; M57-R367 HydrophobicContact CE-CB 3.77Å; M57-R367 HydrophobicContact SD-CB 4.16Å; V62-R367 CarbonylContact O-C 3.33Å; V62-R367 WeakPolarHBondContact O-CA 3.37Å; I242-R367 CarbonylContact C-O 3.57Å; I242-R367 WeakPolarHBondContact CA-O 3.26Å; I243-R367 HydrophobicContact CB-CB 4.42Å; I243-R367 PolarHBondContact N-O 3.39Å; I243-R367 PolarHBondContact O-N 3.05Å; I243-R367 VanDerWaalsContact O-O 3.1Å
368	A	98.9	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.7	175.5	0	0	0	0	0	111.8	G61 V62 L241 I242 F366 F373	G61-A368 CarbonylContact C-O 3.57Å; G61-A368 WeakPolarHBondContact CA-O 3.49Å; V62-A368 PolarHBondContact N-O 3.45Å; V62-A368 PolarHBondContact O-N 2.88Å; L241-A368 CarbonylContact O-C 3.49Å; L241-A368 VanDerWaalsContact O-CA 3.24Å; L241-A368 WeakPolarHBondContact O-CA 3.28Å; I242-A368 HydrophobicContact CG1-CB 4.14Å; F366-A368 HydrophobicContact CE1-CB 3.95Å; F366-A368 HydrophobicContact CZ-CB 4.22Å; A368-F373 HydrophobicContact CB-CD1 3.78Å; A368-F373 HydrophobicContact CB-CD2 3.99Å; A368-F373 HydrophobicContact CB-CE1 3.52Å; A368-F373 HydrophobicContact CB-CE2 3.71Å; A368-F373 HydrophobicContact CB-CG 4Å; A368-F373 HydrophobicContact CB-CZ 3.46Å; A368-F373 VanDerWaalsContact CB-CZ 3.46Å
369	V	98.9	Very high	98.7	Very high	18 Å²	18	33 Å²	33	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.6	176.8	68.7	0	0	0	0	109.4	M57 D60 L241	M57-V369 HydrophobicContact CE-CB 4.21Å; M57-V369 HydrophobicContact CE-CG1 3.76Å; M57-V369 HydrophobicContact CG-CB 4.24Å; M57-V369 HydrophobicContact CG-CG1 4.13Å; M57-V369 HydrophobicContact SD-CG1 4.36Å; D60-V369 HydrophobicContact CB-CG2 4.11Å; L241-V369 HydrophobicContact CB-CG1 4.08Å; L241-V369 HydrophobicContact CD2-CG1 4.12Å; L241-V369 HydrophobicContact CG-CG1 4.41Å; L241-V369 PolarHBondContact N-O 3.03Å; L241-V369 PolarHBondContact O-N 3.03Å
370	G	98.4	Very high	98.7	Very high	21 Å²	21	37 Å²	37	22%	0.216	22%	0.218	C	C	.	.	S	Bend	trans	152.3	177.7	178	0	0	0	0	0	112.4	S372 F373	G370-S372 PolarHBondContact O-N 3.02Å; G370-S372 VanDerWaalsContact O-N 3.09Å; G370-F373 PolarHBondContact O-N 3.3Å; G370-F373 VanDerWaalsContact O-N 3.07Å
371	P	97.7	Very high	98.7	Very high	48 Å²	48	34.9 Å²	34.9	31%	0.312	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.5	-174	25.2	-37.2	0	0	0	114	N31 L239 N240	N31-P371 HydrophobicContact CB-CG 4.19Å; N31-P371 VanDerWaalsContact CG-CG 3.46Å; N31-P371 WeakPolarHBondContact ND2-CG 3.29Å; L239-P371 WeakPolarHBondContact O-CD 3.45Å; N240-P371 WeakPolarHBondContact OD1-CD 3.3Å
372	S	98.1	Very high	98.7	Very high	28 Å²	28	33.7 Å²	33.7	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-19	179.6	-58.3	0	0	0	0	113.6	N31 N240 G370 L413 H414	N31-S372 PolarHBondContact ND2-OG 2.99Å; N31-S372 VanDerWaalsContact ND2-OG 3.14Å; N240-S372 WeakPolarHBondContact ND2-CB 3.49Å; N240-S372 PolarHBondContact ND2-OG 2.82Å; N240-S372 WeakPolarHBondContact OD1-CB 3.23Å; N240-S372 PolarHBondContact OD1-N 3.28Å; G370-S372 PolarHBondContact O-N 3.02Å; G370-S372 VanDerWaalsContact O-N 3.09Å; S372-L413 VanDerWaalsContact O-CA 3.29Å; S372-L413 WeakPolarHBondContact O-CA 3.44Å; S372-H414 PolarHBondContact O-N 2.79Å
373	F	98.6	Very high	98.7	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-94.4	142	-172.8	-75.2	-74.9	0	0	0	112.1	V62 N240 I242 A368 G370 L390 L394 M412 L413 H414	V62-F373 HydrophobicContact CG2-CB 4.24Å; V62-F373 HydrophobicContact CG2-CD1 4.09Å; N240-F373 HydrophobicContact CB-CD2 4.34Å; N240-F373 HydrophobicContact CB-CE2 4.02Å; I242-F373 HydrophobicContact CD1-CZ 4.22Å; I242-F373 HydrophobicContact CG1-CE2 4.26Å; I242-F373 HydrophobicContact CG1-CZ 4.05Å; A368-F373 HydrophobicContact CB-CD1 3.78Å; A368-F373 HydrophobicContact CB-CD2 3.99Å; A368-F373 HydrophobicContact CB-CE1 3.52Å; A368-F373 HydrophobicContact CB-CE2 3.71Å; A368-F373 HydrophobicContact CB-CG 4Å; A368-F373 HydrophobicContact CB-CZ 3.46Å; A368-F373 VanDerWaalsContact CB-CZ 3.46Å; G370-F373 PolarHBondContact O-N 3.3Å; G370-F373 VanDerWaalsContact O-N 3.07Å; F373-L390 HydrophobicContact CE1-CD1 4.38Å; F373-L390 HydrophobicContact CE1-CD2 4.12Å; F373-L390 HydrophobicContact CZ-CD2 4.19Å; F373-L394 HydrophobicContact CE2-CD1 3.82Å; F373-L394 HydrophobicContact CE2-CD2 4.16Å; F373-L394 HydrophobicContact CZ-CD1 3.57Å; F373-L394 HydrophobicContact CZ-CD2 4.28Å; F373-M412 HydrophobicContact CD1-CB 4.14Å; F373-M412 HydrophobicContact CE1-CB 4.25Å; F373-L413 HydrophobicContact CD1-CD2 3.68Å; F373-L413 HydrophobicContact CE1-CD2 3.67Å; F373-L413 HydrophobicContact CG-CD2 4.26Å; F373-L413 HydrophobicContact CZ-CD2 4.25Å; F373-H414 PolarHBondContact O-CD2 3.22Å; F373-H414 PolarHBondContact O-NE2 2.97Å
374	K	98.6	Very high	98.7	Very high	68 Å²	68	36.2 Å²	36.2	30%	0.296	22%	0.215	S	C	.	.			trans	-63.3	159.7	168.4	-68.3	173.4	177.9	165.2	0	110.9	G61 V62 L377 P411 M412 L413	G61-K374 CarbonylContact C-O 3.47Å; G61-K374 VanDerWaalsContact CA-O 3.27Å; G61-K374 WeakPolarHBondContact CA-O 3.49Å; V62-K374 HydrophobicContact CG2-CB 4.4Å; V62-K374 VanDerWaalsContact CG2-O 3.25Å; V62-K374 WeakPolarHBondContact CG2-O 3.34Å; K374-L377 HydrophobicContact CB-CB 4.38Å; K374-L377 HydrophobicContact CB-CD2 4.21Å; K374-L377 HydrophobicContact CD-CD2 3.88Å; K374-P411 WeakPolarHBondContact CD-O 3.29Å; K374-P411 WeakPolarHBondContact CE-O 3.47Å; K374-P411 PolarHBondContact NZ-O 2.97Å; K374-M412 PolarHBondContact N-O 2.77Å; K374-L413 WeakPolarHBondContact CE-O 3.38Å
375	A	98.6	Very high	98.7	Very high	67 Å²	67	36.2 Å²	36.2	55%	0.554	22%	0.216	S	C	*	.	S	Bend	trans	-110.3	149.4	176.5	0	0	0	0	0	112	D60 G61 L377	D60-A375 WeakPolarHBondContact O-CB 3.45Å; G61-A375 CarbonylContact O-C 3.5Å; G61-A375 WeakPolarHBondContact O-CA 3.42Å; A375-L377 PolarHBondContact O-N 3.28Å
376	G	98.6	Very high	98.7	Very high	58 Å²	58	37.3 Å²	37.3	60%	0.598	22%	0.221	S	C	*	.	S	Bend	trans	63.2	23.7	178.1	0	0	0	0	0	114	R59 G61	R59-G376 WeakPolarHBondContact O-CA 3.46Å; R59-G376 PolarHBondContact O-N 2.79Å; G61-G376 PolarHBondContact O-N 2.85Å
377	L	98.8	Very high	98.7	Very high	50 Å²	50	37.3 Å²	37.3	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.9	-175.8	178.3	66.5	0	0	0	110.6	G61 V62 K63 K374 A375 V379	G61-L377 PolarHBondContact O-N 3.35Å; G61-L377 VanDerWaalsContact O-N 3.15Å; V62-L377 CarbonylContact C-O 3.58Å; V62-L377 VanDerWaalsContact CA-O 3.3Å; V62-L377 WeakPolarHBondContact CA-O 3.39Å; V62-L377 HydrophobicContact CG1-CD2 4.39Å; V62-L377 HydrophobicContact CG2-CB 4.31Å; V62-L377 HydrophobicContact CG2-CD2 4.3Å; K63-L377 PolarHBondContact N-O 3.46Å; K374-L377 HydrophobicContact CB-CB 4.38Å; K374-L377 HydrophobicContact CB-CD2 4.21Å; K374-L377 HydrophobicContact CD-CD2 3.88Å; A375-L377 PolarHBondContact O-N 3.28Å; L377-V379 HydrophobicContact CD1-CG1 4.45Å; L377-V379 HydrophobicContact CD2-CG1 3.84Å; L377-V379 HydrophobicContact CG-CG1 3.88Å
378	E	98.8	Very high	98.7	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.551	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96	131.4	161.8	-170.8	166.7	-156.5	0	0	109.7	K63	K63-E378 CarbonylContact O-C 3.51Å; K63-E378 VanDerWaalsContact O-CA 3.26Å; K63-E378 WeakPolarHBondContact O-CA 3.4Å
379	V	98.8	Very high	98.7	Very high	26 Å²	26	38.6 Å²	38.6	16%	0.158	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	155.8	175.1	-57.7	0	0	0	0	111.4	V62 K63 A64 R65 L377 F382 M412	V62-V379 HydrophobicContact CG1-CG1 4.19Å; K63-V379 PolarHBondContact O-N 2.77Å; A64-V379 HydrophobicContact CB-CG2 4.07Å; R65-V379 PolarHBondContact N-O 2.87Å; L377-V379 HydrophobicContact CD1-CG1 4.45Å; L377-V379 HydrophobicContact CD2-CG1 3.84Å; L377-V379 HydrophobicContact CG-CG1 3.88Å; V379-F382 HydrophobicContact CG2-CD1 4.5Å; V379-F382 HydrophobicContact CG2-CE1 4.37Å; V379-M412 HydrophobicContact CG1-CG 4.29Å; V379-M412 HydrophobicContact CG2-CE 3.51Å
380	E	98.8	Very high	98.7	Very high	132 Å²	132	38 Å²	38	62%	0.617	22%	0.223	S	C	*	.			trans	-62.2	158.7	171.6	-72.1	-57.4	140.8	0	0	112.1	R65	R65-E380 IonicContact CZ-OE2 3.67Å; R65-E380 IonicContact NE-OE2 3.42Å; R65-E380 PolarHBondContact NE-OE2 2.77Å; R65-E380 IonicContact NH2-OE2 3.26Å; R65-E380 PolarHBondContact NH2-OE2 3.26Å
381	P	98.9	Very high	98.7	Very high	35 Å²	35	37 Å²	37	23%	0.227	21%	0.213	C	C	.	.			trans	-59.2	149.8	178.5	-24.1	34.1	0	0	0	114.3	R65 Y66	R65-P381 HydrophobicContact CB-CG 4.13Å; R65-P381 HydrophobicContact CG-CG 4.48Å; R65-P381 VanDerWaalsContact NH2-CD 3.34Å; Y66-P381 HydrophobicContact CD1-CB 4.35Å; Y66-P381 HydrophobicContact CD1-CG 3.74Å; Y66-P381 HydrophobicContact CD2-CB 3.6Å; Y66-P381 HydrophobicContact CD2-CG 3.94Å; Y66-P381 HydrophobicContact CE1-CB 4.07Å; Y66-P381 HydrophobicContact CE1-CG 3.36Å; Y66-P381 HydrophobicContact CE2-CB 3.27Å; Y66-P381 HydrophobicContact CE2-CG 3.57Å; Y66-P381 HydrophobicContact CG-CB 4.12Å; Y66-P381 HydrophobicContact CG-CG 4Å; Y66-P381 VanDerWaalsContact O-CA 3.24Å; Y66-P381 WeakPolarHBondContact O-CA 3.31Å; Y66-P381 WeakPolarHBondContact O-CB 3.41Å
382	F	98.9	Very high	98.8	Very high	15 Å²	15	34.8 Å²	34.8	7%	0.066	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	167.3	176.1	62.7	-94.1	0	0	0	110.8	A64 M67 T68 F366 V379 V387 T408 L409 M412	A64-F382 HydrophobicContact CB-CD1 4.24Å; A64-F382 HydrophobicContact CB-CE1 3.61Å; A64-F382 HydrophobicContact CB-CZ 4.42Å; M67-F382 WeakPolarHBondContact CA-O 3.42Å; M67-F382 HydrophobicContact CG-CD2 4.16Å; M67-F382 HydrophobicContact CG-CE2 3.79Å; M67-F382 HydrophobicContact CG-CZ 4.29Å; M67-F382 HydrophobicContact SD-CD2 4.5Å; M67-F382 HydrophobicContact SD-CE2 3.66Å; M67-F382 HydrophobicContact SD-CZ 4.15Å; T68-F382 PolarHBondContact N-O 3.2Å; F366-F382 HydrophobicContact CB-CE1 4.4Å; F366-F382 HydrophobicContact CB-CZ 3.87Å; F366-F382 HydrophobicContact CD1-CE1 4.21Å; F366-F382 AromaticContact CD1-CZ 3.82Å; F366-F382 HydrophobicContact CD1-CZ 3.82Å; F366-F382 HydrophobicContact CD2-CE2 4.44Å; F366-F382 AromaticContact CD2-CZ 3.81Å; F366-F382 HydrophobicContact CD2-CZ 3.81Å; F366-F382 HydrophobicContact CE1-CZ 4.3Å; F366-F382 HydrophobicContact CE2-CZ 4.27Å; F366-F382 HydrophobicContact CG-CE1 4.27Å; F366-F382 AromaticContact CG-CZ 3.56Å; F366-F382 HydrophobicContact CG-CZ 3.56Å; V379-F382 HydrophobicContact CG2-CD1 4.5Å; V379-F382 HydrophobicContact CG2-CE1 4.37Å; F382-V387 HydrophobicContact CE2-CG2 4.03Å; F382-T408 HydrophobicContact CB-CG2 4.04Å; F382-L409 HydrophobicContact CB-CD2 4.13Å; F382-L409 HydrophobicContact CD1-CD2 3.58Å; F382-L409 HydrophobicContact CD2-CD1 4.22Å; F382-L409 HydrophobicContact CD2-CD2 3.58Å; F382-L409 HydrophobicContact CD2-CG 4.47Å; F382-L409 HydrophobicContact CE1-CD2 3.74Å; F382-L409 HydrophobicContact CE2-CD1 3.82Å; F382-L409 HydrophobicContact CE2-CD2 3.77Å; F382-L409 HydrophobicContact CE2-CG 4.46Å; F382-L409 HydrophobicContact CG-CD2 3.48Å; F382-L409 VanDerWaalsContact CG-CD2 3.48Å; F382-L409 HydrophobicContact CZ-CD1 4.15Å; F382-L409 HydrophobicContact CZ-CD2 3.84Å; F382-M412 HydrophobicContact CD1-CE 4.15Å; F382-M412 HydrophobicContact CE1-CE 3.38Å; F382-M412 HydrophobicContact CZ-CE 3.91Å
383	E	98.9	Very high	98.8	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.28	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.3	176.6	-62.7	-168.4	149.8	0	0	112.8	T68 Y87 V385 H386	T68-E383 HydrophobicContact CG2-CG 4.3Å; T68-E383 CarbonylContact O-C 3.59Å; T68-E383 VanDerWaalsContact O-CA 3.31Å; T68-E383 WeakPolarHBondContact O-CA 3.49Å; Y87-E383 PolarHBondContact OH-OE2 3.06Å; E383-V385 HydrophobicContact CB-CG1 3.99Å; E383-V385 PolarHBondContact O-N 2.8Å; E383-H386 PolarHBondContact O-CD2 3.04Å; E383-H386 PolarHBondContact O-N 3.48Å; E383-H386 VanDerWaalsContact O-N 3.15Å
384	S	98.9	Very high	98.8	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.3	-19.7	-177.2	62.4	0	0	0	0	114.5	T68 A70 H386 V387	T68-S384 PolarHBondContact O-N 3.17Å; A70-S384 PolarHBondContact N-OG 2.91Å; S384-H386 PolarHBondContact O-N 3.49Å; S384-V387 WeakPolarHBondContact O-CB 3.39Å; S384-V387 WeakPolarHBondContact O-CG2 3.3Å; S384-V387 PolarHBondContact O-N 3.41Å
385	V	98.9	Very high	98.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.9	177.2	74.9	0	0	0	0	112.7	T81 G85 Y87 E383 V387 D403	T81-V385 HydrophobicContact CG2-CB 4.37Å; G85-V385 VanDerWaalsContact CA-O 3.32Å; G85-V385 WeakPolarHBondContact CA-O 3.35Å; G85-V385 WeakPolarHBondContact O-CG2 3.43Å; Y87-V385 HydrophobicContact CD1-CG2 4.49Å; Y87-V385 HydrophobicContact CE1-CB 4.29Å; Y87-V385 HydrophobicContact CE1-CG1 4.31Å; Y87-V385 HydrophobicContact CE1-CG2 4.44Å; E383-V385 HydrophobicContact CB-CG1 3.99Å; E383-V385 PolarHBondContact O-N 2.8Å; V385-V387 VanDerWaalsContact C-N 3.32Å; V385-V387 PolarHBondContact O-N 3.11Å; V385-D403 HydrophobicContact CG2-CB 3.85Å
386	H	98.9	Very high	98.7	Very high	27 Å²	27	37.4 Å²	37.4	13%	0.125	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-77.9	-12	-178.4	-55.4	-60.5	0	0	0	114.4	E383 S384 Y388 E389 L390 D405 T408 L409	E383-H386 PolarHBondContact O-CD2 3.04Å; E383-H386 PolarHBondContact O-N 3.48Å; E383-H386 VanDerWaalsContact O-N 3.15Å; S384-H386 PolarHBondContact O-N 3.49Å; H386-Y388 VanDerWaalsContact C-N 3.33Å; H386-Y388 PolarHBondContact O-N 2.8Å; H386-E389 PolarHBondContact O-N 3.37Å; H386-L390 PolarHBondContact O-N 2.76Å; H386-D405 PolarHBondContact ND1-N 3.41Å; H386-T408 HydrophobicContact CB-CG2 4.32Å; H386-T408 PolarHBondContact ND1-OG1 3.25Å; H386-L409 HydrophobicContact CB-CD1 3.83Å; H386-L409 HydrophobicContact CB-CD2 4.42Å; H386-L409 HydrophobicContact CB-CG 3.88Å; H386-L409 WeakPolarHBondContact O-CD1 3.47Å
387	V	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-35	-174.2	177.8	0	0	0	0	111.8	M67 L82 F366 F382 S384 V385 E389 L390 M391 L409	M67-V387 HydrophobicContact SD-CG2 3.85Å; L82-V387 HydrophobicContact CD2-CB 3.91Å; L82-V387 HydrophobicContact CD2-CG1 4.15Å; L82-V387 HydrophobicContact CD2-CG2 3.83Å; F366-V387 HydrophobicContact CD2-CG2 4.26Å; F366-V387 HydrophobicContact CE2-CG1 4.32Å; F366-V387 HydrophobicContact CE2-CG2 4.06Å; F382-V387 HydrophobicContact CE2-CG2 4.03Å; S384-V387 WeakPolarHBondContact O-CB 3.39Å; S384-V387 WeakPolarHBondContact O-CG2 3.3Å; S384-V387 PolarHBondContact O-N 3.41Å; V385-V387 VanDerWaalsContact C-N 3.32Å; V385-V387 PolarHBondContact O-N 3.11Å; V387-E389 PolarHBondContact O-N 2.94Å; V387-L390 WeakPolarHBondContact O-CB 3.45Å; V387-L390 PolarHBondContact O-N 2.83Å; V387-M391 HydrophobicContact CG1-CE 4.17Å; V387-M391 HydrophobicContact CG1-CG 4.22Å; V387-M391 HydrophobicContact CG1-SD 4.33Å; V387-M391 WeakPolarHBondContact O-CG 3.22Å; V387-M391 PolarHBondContact O-N 2.95Å; V387-L409 HydrophobicContact CG2-CD1 4.39Å
388	Y	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-47	179.2	175.4	-100.7	0	0	0	112.9	V83 I126 T129 H386 L390 M391 C392 P399 E400 N402	V83-Y388 WeakPolarHBondContact O-CD2 3.24Å; V83-Y388 WeakPolarHBondContact O-CE2 3.27Å; I126-Y388 HydrophobicContact CB-CD2 4.08Å; I126-Y388 HydrophobicContact CB-CE2 3.79Å; I126-Y388 HydrophobicContact CD1-CD2 4.4Å; I126-Y388 HydrophobicContact CD1-CE2 4.5Å; I126-Y388 HydrophobicContact CG1-CD2 4.49Å; I126-Y388 HydrophobicContact CG1-CE2 4.17Å; T129-Y388 PolarHBondContact OG1-OH 3.45Å; H386-Y388 VanDerWaalsContact C-N 3.33Å; H386-Y388 PolarHBondContact O-N 2.8Å; Y388-L390 VanDerWaalsContact C-N 3.31Å; Y388-L390 PolarHBondContact O-N 2.9Å; Y388-M391 PolarHBondContact O-N 2.61Å; Y388-M391 VanDerWaalsContact O-N 3.13Å; Y388-C392 VanDerWaalsContact CZ-SG 3.58Å; Y388-C392 PolarHBondContact O-N 3.37Å; Y388-P399 HydrophobicContact CD1-CB 4.48Å; Y388-P399 HydrophobicContact CE1-CB 3.76Å; Y388-E400 WeakPolarHBondContact OH-CB 3.33Å; Y388-E400 WeakPolarHBondContact OH-CG 3.33Å; Y388-E400 PolarHBondContact OH-N 2.86Å; Y388-N402 HydrophobicContact CD1-CB 4.14Å; Y388-N402 HydrophobicContact CE1-CB 4.3Å
389	E	98.8	Very high	98.7	Very high	29 Å²	29	34.2 Å²	34.2	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-44	176.8	-81	-67.7	171.7	0	0	111.7	H386 V387 M391 C392 R393 P399 N402 P406	H386-E389 PolarHBondContact O-N 3.37Å; V387-E389 PolarHBondContact O-N 2.94Å; E389-M391 VanDerWaalsContact C-N 3.35Å; E389-M391 PolarHBondContact O-N 3.25Å; E389-C392 PolarHBondContact O-N 3.31Å; E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 PolarHBondContact O-N 3.06Å; E389-P399 WeakPolarHBondContact OE2-CG 3.14Å; E389-N402 PolarHBondContact OE1-ND2 3.2Å; E389-P406 HydrophobicContact CB-CB 4.3Å; E389-P406 HydrophobicContact CG-CB 4.2Å
390	L	98.8	Very high	98.7	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-46.1	174.9	176.9	65.3	0	0	0	111.3	I242 F366 F373 H386 V387 Y388 R393 L394 L409 M412 L413	I242-L390 HydrophobicContact CD1-CD2 4.39Å; F366-L390 HydrophobicContact CE2-CD2 4.48Å; F366-L390 HydrophobicContact CZ-CD2 3.75Å; F373-L390 HydrophobicContact CE1-CD1 4.38Å; F373-L390 HydrophobicContact CE1-CD2 4.12Å; F373-L390 HydrophobicContact CZ-CD2 4.19Å; H386-L390 PolarHBondContact O-N 2.76Å; V387-L390 WeakPolarHBondContact O-CB 3.45Å; V387-L390 PolarHBondContact O-N 2.83Å; Y388-L390 VanDerWaalsContact C-N 3.31Å; Y388-L390 PolarHBondContact O-N 2.9Å; L390-R393 WeakPolarHBondContact O-CB 3.31Å; L390-R393 PolarHBondContact O-N 3.16Å; L390-L394 HydrophobicContact CD1-CD1 4.32Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.05Å; L390-L394 VanDerWaalsContact O-CG 3.25Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 2.87Å; L390-L409 HydrophobicContact CB-CB 4.18Å; L390-L409 HydrophobicContact CB-CD1 4Å; L390-L409 HydrophobicContact CD1-CB 4.27Å; L390-L409 HydrophobicContact CD2-CB 4.11Å; L390-L409 HydrophobicContact CD2-CD1 3.89Å; L390-L409 HydrophobicContact CG-CB 4.42Å; L390-M412 HydrophobicContact CD2-SD 4.15Å; L390-L413 HydrophobicContact CD1-CD1 4Å; L390-L413 HydrophobicContact CD1-CD2 3.94Å; L390-L413 HydrophobicContact CD1-CG 4.04Å
391	M	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-41.4	179.4	-67	-166.7	-67.3	0	0	112.4	L33 L35 L82 I126 I242 V387 Y388 E389 R393 L394 L395	L33-M391 HydrophobicContact CD2-CB 3.67Å; L33-M391 HydrophobicContact CD2-CG 3.76Å; L33-M391 HydrophobicContact CD2-SD 4.2Å; L35-M391 HydrophobicContact CB-SD 4.31Å; L35-M391 HydrophobicContact CD1-SD 4.38Å; L35-M391 HydrophobicContact CD2-CE 4.31Å; L35-M391 HydrophobicContact CD2-SD 3.88Å; L35-M391 HydrophobicContact CG-SD 4.41Å; L82-M391 WeakPolarHBondContact O-CE 3.4Å; I126-M391 HydrophobicContact CD1-CB 3.34Å; I126-M391 HydrophobicContact CD1-CE 3.8Å; I126-M391 HydrophobicContact CD1-CG 4.33Å; I126-M391 HydrophobicContact CD1-SD 4.15Å; I126-M391 HydrophobicContact CG2-CE 4.47Å; I242-M391 HydrophobicContact CD1-CG 4.05Å; V387-M391 HydrophobicContact CG1-CE 4.17Å; V387-M391 HydrophobicContact CG1-CG 4.22Å; V387-M391 HydrophobicContact CG1-SD 4.33Å; V387-M391 WeakPolarHBondContact O-CG 3.22Å; V387-M391 PolarHBondContact O-N 2.95Å; Y388-M391 PolarHBondContact O-N 2.61Å; Y388-M391 VanDerWaalsContact O-N 3.13Å; E389-M391 VanDerWaalsContact C-N 3.35Å; E389-M391 PolarHBondContact O-N 3.25Å; M391-R393 VanDerWaalsContact C-N 3.31Å; M391-R393 PolarHBondContact O-N 2.64Å; M391-L394 PolarHBondContact O-N 2.85Å; M391-L395 WeakPolarHBondContact O-CG 3.33Å; M391-L395 PolarHBondContact O-N 3.31Å
392	C	98.8	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-41.3	174.8	-75	0	0	0	0	111.7	Y388 E389 L395 G396 I397 P399	Y388-C392 VanDerWaalsContact CZ-SG 3.58Å; Y388-C392 PolarHBondContact O-N 3.37Å; E389-C392 PolarHBondContact O-N 3.31Å; C392-L395 PolarHBondContact O-N 2.99Å; C392-G396 PolarHBondContact O-N 3.47Å; C392-I397 HydrophobicContact CB-CD1 4.46Å; C392-I397 HydrophobicContact CB-CG1 3.9Å; C392-I397 WeakPolarHBondContact O-CG1 3.35Å; C392-I397 PolarHBondContact O-N 3.21Å; C392-P399 HydrophobicContact CB-CB 3.94Å
393	R	98.3	Very high	98.7	Very high	165 Å²	165	35.9 Å²	35.9	62%	0.623	20%	0.202	S	C	*	.	H	α-helix	trans	-61.2	-47	174.4	179.2	59.7	141.2	-156.9	-8.3	112.3	E389 L390 M391 L395 G396 L413	E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 PolarHBondContact O-N 3.06Å; L390-R393 WeakPolarHBondContact O-CB 3.31Å; L390-R393 PolarHBondContact O-N 3.16Å; M391-R393 VanDerWaalsContact C-N 3.31Å; M391-R393 PolarHBondContact O-N 2.64Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.13Å; R393-G396 PolarHBondContact O-N 3.3Å; R393-G396 VanDerWaalsContact O-N 3.11Å; R393-L413 HydrophobicContact CG-CD1 3.91Å
394	L	98.1	Very high	98.7	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-35.8	179.5	-71.6	167.5	0	0	0	112.5	L33 I242 F373 L390 M391 G396 L413	L33-L394 HydrophobicContact CD1-CD1 3.98Å; L33-L394 HydrophobicContact CD2-CB 4.47Å; I242-L394 HydrophobicContact CD1-CD1 4.12Å; F373-L394 HydrophobicContact CE2-CD1 3.82Å; F373-L394 HydrophobicContact CE2-CD2 4.16Å; F373-L394 HydrophobicContact CZ-CD1 3.57Å; F373-L394 HydrophobicContact CZ-CD2 4.28Å; L390-L394 HydrophobicContact CD1-CD1 4.32Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.05Å; L390-L394 VanDerWaalsContact O-CG 3.25Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 2.87Å; M391-L394 PolarHBondContact O-N 2.85Å; L394-G396 VanDerWaalsContact C-N 3.34Å; L394-L413 HydrophobicContact CD2-CD1 4.35Å; L394-L413 HydrophobicContact CD2-CD2 3.74Å
395	L	98.3	Very high	98.6	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-82.4	-10.4	177.1	-69.8	170.3	0	0	0	113.4	L33 I126 L135 L190 M391 C392 R393 I397	L33-L395 HydrophobicContact CB-CD2 3.78Å; L33-L395 HydrophobicContact CB-CG 4.21Å; L33-L395 HydrophobicContact CD2-CD1 4.1Å; L33-L395 HydrophobicContact CD2-CD2 4.48Å; L33-L395 HydrophobicContact CD2-CG 4Å; I126-L395 HydrophobicContact CD1-CD1 4.1Å; I126-L395 HydrophobicContact CG1-CD1 4.43Å; L135-L395 HydrophobicContact CD1-CB 4.05Å; L135-L395 HydrophobicContact CD1-CD2 4.13Å; L190-L395 HydrophobicContact CB-CD1 4.28Å; L190-L395 HydrophobicContact CB-CD2 4.35Å; L190-L395 HydrophobicContact CD1-CD1 4.44Å; L190-L395 HydrophobicContact CD2-CD1 4.1Å; M391-L395 WeakPolarHBondContact O-CG 3.33Å; M391-L395 PolarHBondContact O-N 3.31Å; C392-L395 PolarHBondContact O-N 2.99Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.13Å; L395-I397 VanDerWaalsContact C-N 3.33Å; L395-I397 HydrophobicContact CB-CD1 4.17Å; L395-I397 HydrophobicContact CB-CG1 4Å; L395-I397 HydrophobicContact CB-CG2 4.22Å; L395-I397 HydrophobicContact CD1-CD1 4.01Å; L395-I397 PolarHBondContact O-N 2.84Å
396	G	97.6	Very high	98.5	Very high	41 Å²	41	41 Å²	41	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	37.3	-175.9	0	0	0	0	0	113.2	R30 C392 R393 L394	R30-G396 PolarHBondContact NH2-O 3.5Å; C392-G396 PolarHBondContact O-N 3.47Å; R393-G396 PolarHBondContact O-N 3.3Å; R393-G396 VanDerWaalsContact O-N 3.11Å; L394-G396 VanDerWaalsContact C-N 3.34Å
397	I	98.5	Very high	98.4	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.062	25%	0.254	C	S	.	.			trans	-112.9	153.8	178.9	62.9	176.8	0	0	0	111.1	I126 T129 A130 Q133 L135 C392 L395	I126-I397 HydrophobicContact CG1-CD1 4.45Å; T129-I397 HydrophobicContact CG2-CD1 4.31Å; A130-I397 HydrophobicContact CB-CD1 3.91Å; Q133-I397 HydrophobicContact CB-CG2 4.15Å; L135-I397 HydrophobicContact CD1-CG2 3.59Å; L135-I397 HydrophobicContact CG-CG2 4.27Å; C392-I397 HydrophobicContact CB-CD1 4.46Å; C392-I397 HydrophobicContact CB-CG1 3.9Å; C392-I397 WeakPolarHBondContact O-CG1 3.35Å; C392-I397 PolarHBondContact O-N 3.21Å; L395-I397 VanDerWaalsContact C-N 3.33Å; L395-I397 HydrophobicContact CB-CD1 4.17Å; L395-I397 HydrophobicContact CB-CG1 4Å; L395-I397 HydrophobicContact CB-CG2 4.22Å; L395-I397 HydrophobicContact CD1-CD1 4.01Å; L395-I397 PolarHBondContact O-N 2.84Å
398	V	98.7	Very high	98.4	Very high	103 Å²	103	44.9 Å²	44.9	62%	0.624	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-73.1	122.9	172.8	-177.2	0	0	0	0	108.6	T129 Q133	T129-V398 WeakPolarHBondContact CG2-O 3.47Å; Q133-V398 PolarHBondContact NE2-O 3.41Å
399	P	98.7	Very high	98.4	Very high	44 Å²	44	45.2 Å²	45.2	29%	0.286	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.7	150.1	175.9	30	-35.3	0	0	0	111	Y388 E389 C392	Y388-P399 HydrophobicContact CD1-CB 4.48Å; Y388-P399 HydrophobicContact CE1-CB 3.76Å; E389-P399 WeakPolarHBondContact OE2-CG 3.14Å; C392-P399 HydrophobicContact CB-CB 3.94Å
400	E	98.8	Very high	98.3	Very high	66 Å²	66	47.5 Å²	47.5	31%	0.308	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67	158.3	163.2	-59.6	-73.8	175.1	0	0	109.7	V124 T129 Y388 N402	V124-E400 HydrophobicContact CB-CG 4.18Å; V124-E400 HydrophobicContact CG1-CG 4.5Å; T129-E400 HydrophobicContact CG2-CG 3.97Å; T129-E400 VanDerWaalsContact OG1-CG 3.27Å; T129-E400 WeakPolarHBondContact OG1-CG 3.49Å; Y388-E400 WeakPolarHBondContact OH-CB 3.33Å; Y388-E400 WeakPolarHBondContact OH-CG 3.33Å; Y388-E400 PolarHBondContact OH-N 2.86Å; E400-N402 PolarHBondContact O-N 3.47Å; E400-N402 PolarHBondContact O-ND2 3.34Å
401	A	98.7	Very high	98.3	Very high	89 Å²	89	50.6 Å²	50.6	74%	0.736	30%	0.304	S	S	*	.	S	Bend	trans	-59.6	123.7	171.7	0	0	0	0	0	110.3	K86	K86-A401 WeakPolarHBondContact CE-O 3.25Å
402	N	98.8	Very high	98.3	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.16	30%	0.304	C	S	.	.			trans	-145.9	176.2	-172.2	73.9	90.6	0	0	0	110.4	T84 G85 K86 Y388 E389 E400 G404	T84-N402 WeakPolarHBondContact O-CB 3.47Å; G85-N402 WeakPolarHBondContact O-CB 3.18Å; G85-N402 PolarHBondContact O-OD1 2.9Å; K86-N402 HydrophobicContact CG-CB 4.24Å; Y388-N402 HydrophobicContact CD1-CB 4.14Å; Y388-N402 HydrophobicContact CE1-CB 4.3Å; E389-N402 PolarHBondContact OE1-ND2 3.2Å; E400-N402 PolarHBondContact O-N 3.47Å; E400-N402 PolarHBondContact O-ND2 3.34Å; N402-G404 WeakPolarHBondContact OD1-CA 3.48Å; N402-G404 PolarHBondContact OD1-N 2.84Å
403	D	98.8	Very high	98.3	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	31%	0.309	S	S	.	.	S	Bend	trans	-95.6	-4.9	-172.8	-53.7	-39.1	0	0	0	112.5	G85 K86 Y87 N90 V385	G85-D403 PolarHBondContact O-N 3.12Å; K86-D403 WeakPolarHBondContact CA-OD2 3.39Å; Y87-D403 HydrophobicContact CD2-CB 3.66Å; Y87-D403 HydrophobicContact CE2-CB 3.88Å; Y87-D403 PolarHBondContact N-OD2 3.15Å; N90-D403 VanDerWaalsContact ND2-CG 3.32Å; N90-D403 PolarHBondContact ND2-OD1 3.27Å; N90-D403 PolarHBondContact ND2-OD2 3.38Å; V385-D403 HydrophobicContact CG2-CB 3.85Å
404	G	98.6	Very high	98.1	Very high	9 Å²	9	48.9 Å²	48.9	9%	0.093	30%	0.303	C	S	.	.			trans	-79.9	139.3	178.7	0	0	0	0	0	113	G85 N402 P406	G85-G404 PolarHBondContact O-N 3.37Å; N402-G404 WeakPolarHBondContact OD1-CA 3.48Å; N402-G404 PolarHBondContact OD1-N 2.84Å; G404-P406 WeakPolarHBondContact O-CD 3.25Å
405	D	98.4	Very high	97.5	Very high	86 Å²	86	54.3 Å²	54.3	46%	0.46	34%	0.337	S	S	.	.			trans	-82.6	117.9	167.4	-179.9	-5.7	0	0	0	111.4	H386 A407 T408	H386-D405 PolarHBondContact ND1-N 3.41Å; D405-A407 PolarHBondContact O-N 3.37Å; D405-A407 VanDerWaalsContact O-N 3.16Å; D405-A407 WeakPolarHBondContact OD1-CB 3.45Å; D405-A407 PolarHBondContact OD1-N 3Å; D405-T408 WeakPolarHBondContact CB-OG1 3.3Å; D405-T408 WeakPolarHBondContact O-CB 3.49Å; D405-T408 PolarHBondContact O-N 3.36Å; D405-T408 PolarHBondContact O-OG1 2.8Å
406	P	95.9	Very high	96.3	Very high	79 Å²	79	62.8 Å²	62.8	51%	0.513	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	180	26.4	-35.9	0	0	0	114.4	E389 G404	E389-P406 HydrophobicContact CB-CB 4.3Å; E389-P406 HydrophobicContact CG-CB 4.2Å; G404-P406 WeakPolarHBondContact O-CD 3.25Å
407	A	98.1	Very high	93.9	Very high	57 Å²	57	65.8 Å²	65.8	47%	0.471	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26.1	177.7	0	0	0	0	0	113	D405 L409 L410 P411	D405-A407 PolarHBondContact O-N 3.37Å; D405-A407 VanDerWaalsContact O-N 3.16Å; D405-A407 WeakPolarHBondContact OD1-CB 3.45Å; D405-A407 PolarHBondContact OD1-N 3Å; A407-L409 PolarHBondContact O-N 3Å; A407-L410 PolarHBondContact O-N 3.4Å; A407-P411 WeakPolarHBondContact O-CD 3.28Å
408	T	98.6	Very high	90.9	Very high	51 Å²	51	69.3 Å²	69.3	31%	0.313	42%	0.422	S	S	.	.	S	Bend	trans	-56.8	-48.9	-169.8	-51.1	0	0	0	0	112.6	F382 H386 D405 P411	F382-T408 HydrophobicContact CB-CG2 4.04Å; H386-T408 HydrophobicContact CB-CG2 4.32Å; H386-T408 PolarHBondContact ND1-OG1 3.25Å; D405-T408 WeakPolarHBondContact CB-OG1 3.3Å; D405-T408 WeakPolarHBondContact O-CB 3.49Å; D405-T408 PolarHBondContact O-N 3.36Å; D405-T408 PolarHBondContact O-OG1 2.8Å; T408-P411 WeakPolarHBondContact O-CD 3.43Å
409	L	98.6	Very high	87.8	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.031	43%	0.431	C	S	.	.	S	Bend	trans	-102.3	-2	-173.4	-51.3	-173.8	0	0	0	113.1	F382 H386 V387 L390 A407 P411 M412	F382-L409 HydrophobicContact CB-CD2 4.13Å; F382-L409 HydrophobicContact CD1-CD2 3.58Å; F382-L409 HydrophobicContact CD2-CD1 4.22Å; F382-L409 HydrophobicContact CD2-CD2 3.58Å; F382-L409 HydrophobicContact CD2-CG 4.47Å; F382-L409 HydrophobicContact CE1-CD2 3.74Å; F382-L409 HydrophobicContact CE2-CD1 3.82Å; F382-L409 HydrophobicContact CE2-CD2 3.77Å; F382-L409 HydrophobicContact CE2-CG 4.46Å; F382-L409 HydrophobicContact CG-CD2 3.48Å; F382-L409 VanDerWaalsContact CG-CD2 3.48Å; F382-L409 HydrophobicContact CZ-CD1 4.15Å; F382-L409 HydrophobicContact CZ-CD2 3.84Å; H386-L409 HydrophobicContact CB-CD1 3.83Å; H386-L409 HydrophobicContact CB-CD2 4.42Å; H386-L409 HydrophobicContact CB-CG 3.88Å; H386-L409 WeakPolarHBondContact O-CD1 3.47Å; V387-L409 HydrophobicContact CG2-CD1 4.39Å; L390-L409 HydrophobicContact CB-CB 4.18Å; L390-L409 HydrophobicContact CB-CD1 4Å; L390-L409 HydrophobicContact CD1-CB 4.27Å; L390-L409 HydrophobicContact CD2-CB 4.11Å; L390-L409 HydrophobicContact CD2-CD1 3.89Å; L390-L409 HydrophobicContact CG-CB 4.42Å; A407-L409 PolarHBondContact O-N 3Å; L409-P411 VanDerWaalsContact C-N 3.3Å; L409-M412 HydrophobicContact CB-CE 4.48Å; L409-M412 HydrophobicContact CB-SD 4.08Å; L409-M412 HydrophobicContact CD2-CE 3.77Å; L409-M412 HydrophobicContact CD2-SD 4.45Å; L409-M412 VanDerWaalsContact O-CB 3.22Å; L409-M412 WeakPolarHBondContact O-CB 3.24Å; L409-M412 VanDerWaalsContact O-CG 3.26Å; L409-M412 WeakPolarHBondContact O-CG 3.33Å; L409-M412 PolarHBondContact O-N 3.36Å
410	L	97.6	Very high	84.8	Confident	78 Å²	78	73.1 Å²	73.1	41%	0.408	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-57.6	-35	177.1	-170.2	62.1	0	0	0	113.6	A407 M412 L413	A407-L410 PolarHBondContact O-N 3.4Å; L410-M412 PolarHBondContact O-N 3.24Å; L410-L413 HydrophobicContact CD1-CD1 4.24Å; L410-L413 PolarHBondContact O-N 3.34Å
411	P	98.3	Very high	82	Confident	72 Å²	72	76.3 Å²	76.3	47%	0.468	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-59.6	-16.8	175.5	-26.9	36.4	0	0	0	114.9	K374 A407 T408 L409 L413	K374-P411 WeakPolarHBondContact CD-O 3.29Å; K374-P411 WeakPolarHBondContact CE-O 3.47Å; K374-P411 PolarHBondContact NZ-O 2.97Å; A407-P411 WeakPolarHBondContact O-CD 3.28Å; T408-P411 WeakPolarHBondContact O-CD 3.43Å; L409-P411 VanDerWaalsContact C-N 3.3Å; P411-L413 VanDerWaalsContact C-N 3.29Å
412	M	98.6	Very high	79.4	Confident	3 Å²	3	78 Å²	78	2%	0.015	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-71.6	-24	175.5	-58.7	-175.9	168.3	0	0	113	V62 F366 F373 K374 V379 F382 L390 L409 L410	V62-M412 HydrophobicContact CG1-CB 4.19Å; V62-M412 HydrophobicContact CG1-CE 4.24Å; V62-M412 HydrophobicContact CG1-CG 3.85Å; V62-M412 HydrophobicContact CG1-SD 4.07Å; V62-M412 HydrophobicContact CG2-CB 4.17Å; F366-M412 HydrophobicContact CD1-CE 4Å; F366-M412 HydrophobicContact CD1-SD 4.49Å; F366-M412 HydrophobicContact CE1-CE 3.7Å; F366-M412 HydrophobicContact CE1-SD 3.63Å; F366-M412 HydrophobicContact CZ-CE 4.48Å; F366-M412 HydrophobicContact CZ-SD 4.17Å; F373-M412 HydrophobicContact CD1-CB 4.14Å; F373-M412 HydrophobicContact CE1-CB 4.25Å; K374-M412 PolarHBondContact N-O 2.77Å; V379-M412 HydrophobicContact CG1-CG 4.29Å; V379-M412 HydrophobicContact CG2-CE 3.51Å; F382-M412 HydrophobicContact CD1-CE 4.15Å; F382-M412 HydrophobicContact CE1-CE 3.38Å; F382-M412 HydrophobicContact CZ-CE 3.91Å; L390-M412 HydrophobicContact CD2-SD 4.15Å; L409-M412 HydrophobicContact CB-CE 4.48Å; L409-M412 HydrophobicContact CB-SD 4.08Å; L409-M412 HydrophobicContact CD2-CE 3.77Å; L409-M412 HydrophobicContact CD2-SD 4.45Å; L409-M412 VanDerWaalsContact O-CB 3.22Å; L409-M412 WeakPolarHBondContact O-CB 3.24Å; L409-M412 VanDerWaalsContact O-CG 3.26Å; L409-M412 WeakPolarHBondContact O-CG 3.33Å; L409-M412 PolarHBondContact O-N 3.36Å; L410-M412 PolarHBondContact O-N 3.24Å
413	L	98.3	Very high	76.5	Confident	17 Å²	17	80.8 Å²	80.8	9%	0.089	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-91.2	152	-174.2	-55.7	-174	0	0	0	111.7	S372 F373 K374 L390 R393 L394 L410 P411	S372-L413 VanDerWaalsContact O-CA 3.29Å; S372-L413 WeakPolarHBondContact O-CA 3.44Å; F373-L413 HydrophobicContact CD1-CD2 3.68Å; F373-L413 HydrophobicContact CE1-CD2 3.67Å; F373-L413 HydrophobicContact CG-CD2 4.26Å; F373-L413 HydrophobicContact CZ-CD2 4.25Å; K374-L413 WeakPolarHBondContact CE-O 3.38Å; L390-L413 HydrophobicContact CD1-CD1 4Å; L390-L413 HydrophobicContact CD1-CD2 3.94Å; L390-L413 HydrophobicContact CD1-CG 4.04Å; R393-L413 HydrophobicContact CG-CD1 3.91Å; L394-L413 HydrophobicContact CD2-CD1 4.35Å; L394-L413 HydrophobicContact CD2-CD2 3.74Å; L410-L413 HydrophobicContact CD1-CD1 4.24Å; L410-L413 PolarHBondContact O-N 3.34Å; P411-L413 VanDerWaalsContact C-N 3.29Å
414	H	95.2	Very high	73.4	Confident	108 Å²	108	88 Å²	88	50%	0.5	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.7	139	165.2	-71.8	-66.1	0	0	0	110.1	S372 F373 E416	S372-H414 PolarHBondContact O-N 2.79Å; F373-H414 PolarHBondContact O-CD2 3.22Å; F373-H414 PolarHBondContact O-NE2 2.97Å; H414-E416 PolarHBondContact O-N 2.82Å
415	T	85.2	Confident	70.3	Confident	128 Å²	128	93.5 Å²	93.5	79%	0.785	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-67	122.3	164.8	-49	0	0	0	0	106.8	S417	T415-S417 PolarHBondContact O-N 2.66Å
416	E	72.3	Confident	67.3	Low	182 Å²	182	93.7 Å²	93.7	85%	0.85	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-55.1	120.9	171.1	-71.9	-165	170.4	0	0	108	H414 A418	H414-E416 PolarHBondContact O-N 2.82Å; E416-A418 PolarHBondContact O-N 2.86Å
417	S	48.1	Very low	64.5	Low	104 Å²	104	97.6 Å²	97.6	73%	0.727	59%	0.585	S	S	*	*			trans	-61.1	111.4	164.3	176	0	0	0	0	105.3	T415 L419	T415-S417 PolarHBondContact O-N 2.66Å; S417-L419 VanDerWaalsContact C-N 3.32Å; S417-L419 PolarHBondContact O-N 2.79Å
418	A	35.8	Very low	61.5	Low	86 Å²	86	99.9 Å²	99.9	71%	0.711	59%	0.594	S	S	*	*			trans	-52	105.3	166.1	0	0	0	0	0	106.6	E416 P420	E416-A418 PolarHBondContact O-N 2.86Å; A418-P420 WeakPolarHBondContact O-CD 3.48Å
419	L	33.6	Very low	58.7	Low	156 Å²	156	106 Å²	106	82%	0.817	62%	0.624	S	S	*	*			trans	-57.7	122.2	165.7	-81.1	161.1	0	0	0	105	S417	S417-L419 VanDerWaalsContact C-N 3.32Å; S417-L419 PolarHBondContact O-N 2.79Å
420	P	34.1	Very low	55.6	Low	72 Å²	72	112.7 Å²	112.7	47%	0.468	66%	0.66	S	S	.	*			trans	-56.8	146.4	169.9	10.5	-10.9	0	0	0	108.2	A418 D422	A418-P420 WeakPolarHBondContact O-CD 3.48Å; P420-D422 PolarHBondContact O-N 2.85Å
421	P	39.7	Very low	53	Low	133 Å²	133	112.6 Å²	112.6	86%	0.864	68%	0.678	S	S	*	*	S	Bend	trans	-56.9	-13.5	-175.7	-24.8	34	0	0	0	114.9
422	D	45.3	Very low	49.7	Very low	125 Å²	125	120.5 Å²	120.5	67%	0.668	70%	0.699	S	S	*	*	S	Bend	trans	-117.1	110.9	179.4	-63.7	-33.2	0	0	0	108.9	P420 R424	P420-D422 PolarHBondContact O-N 2.85Å; D422-R424 PolarHBondContact O-N 2.73Å
423	G	37.9	Very low	46.9	Very low	88 Å²	88	126.2 Å²	126.2	91%	0.907	74%	0.739	S	S	*	*			trans	-60.4	65	-175.6	0	0	0	0	0	115.8
424	R	33.5	Very low	43.7	Very low	208 Å²	208	130 Å²	130	79%	0.785	77%	0.772	S	S	*	*			trans	-116.5	135.6	168.9	-65.8	-174.2	-178.2	-167.3	1.5	108.8	D422 A426	D422-R424 PolarHBondContact O-N 2.73Å; R424-A426 PolarHBondContact O-N 3.03Å
425	P	33.1	Very low	40.8	Very low	124 Å²	124	131.6 Å²	131.6	81%	0.805	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.5	175.5	24.8	-32	0	0	0	109.9	L427	P425-L427 PolarHBondContact O-N 2.93Å
426	A	36	Very low	38.2	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.4	118.9	171.3	0	0	0	0	0	108.9	R424	R424-A426 PolarHBondContact O-N 3.03Å
427	L	36.8	Very low	36.3	Very low	161 Å²	161	130.2 Å²	130.2	84%	0.843	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-65.9	137.5	172.3	-79	161.6	0	0	0	109.2	P425 L429	P425-L427 PolarHBondContact O-N 2.93Å; L427-L429 PolarHBondContact O-N 2.76Å
428	P	35.8	Very low	35.4	Very low	104 Å²	104	130.4 Å²	130.4	68%	0.675	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.5	126.6	175.4	4.4	3.9	0	0	0	109.7	N430	P428-N430 PolarHBondContact O-N 2.82Å
429	L	38.5	Very low	35.1	Very low	180 Å²	180	131 Å²	131	94%	0.942	79%	0.79	S	S	*	*			trans	-68.5	79.8	165.4	-84.4	160.9	0	0	0	109	L427 G431	L427-L429 PolarHBondContact O-N 2.76Å; L429-G431 PolarHBondContact O-N 2.97Å
430	N	33.6	Very low	34.9	Very low	146 Å²	146	135 Å²	135	78%	0.781	79%	0.794	S	S	*	*			trans	-79	103	163.6	-89.7	-13.7	0	0	0	108.6	P428 R432	P428-N430 PolarHBondContact O-N 2.82Å; N430-R432 PolarHBondContact O-N 3.31Å; N430-R432 VanDerWaalsContact O-N 3.13Å
431	G	42.8	Very low	34.6	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	80%	0.804	S	S	*	*			trans	-60.6	110.1	162.1	0	0	0	0	0	109.7	L429	L429-G431 PolarHBondContact O-N 2.97Å
432	R	30.8	Very low	34.1	Very low	237 Å²	237	137.2 Å²	137.2	89%	0.894	81%	0.805	S	S	*	*			trans	-159	113.4	153.8	-104.8	170.1	-169.1	-150	2.3	108.5	N430 A434	N430-R432 PolarHBondContact O-N 3.31Å; N430-R432 VanDerWaalsContact O-N 3.13Å; R432-A434 PolarHBondContact O-N 3.46Å
433	S	39.4	Very low	33.3	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	81%	0.81	S	S	*	*			trans	-48.9	120.6	165.7	42.5	0	0	0	0	111.1
434	A	31.4	Very low	32.9	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	81%	0.808	S	S	*	*			trans	-119.8	118.6	170.1	0	0	0	0	0	109.7	R432	R432-A434 PolarHBondContact O-N 3.46Å
435	V	33.6	Very low	32.6	Very low	143 Å²	143	139.1 Å²	139.1	87%	0.867	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.2	172.8	173.9	0	0	0	0	109.1
436	L	30.7	Very low	32.3	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.1	129.6	170.5	-79.3	161.6	0	0	0	110
437	P	31.4	Very low	32	Very low	119 Å²	119	140.3 Å²	140.3	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.9	137.7	165	30.1	-22.9	0	0	0	111.4
438	S	29.6	Very low	31.6	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.6	166.1	171.5	51.7	0	0	0	0	113.6
439	S	30.4	Very low	31.2	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	82%	0.817	S	S	*	*			trans	88.5	126.5	173.5	78.1	0	0	0	0	113
440	W	28.2	Very low	30.7	Very low	240 Å²	240	136.8 Å²	136.8	91%	0.909	81%	0.812	S	S	*	*			cis	-144.9	150.5	38	-83.7	56.4	0	0	0	112.4
441	A	28	Very low	30.5	Very low	82 Å²	82	138.1 Å²	138.1	68%	0.678	82%	0.816	S	S	*	*			trans	-93	174.5	173.6	0	0	0	0	0	111.8
442	L	29.2	Very low	30	Very low	168 Å²	168	141.7 Å²	141.7	88%	0.88	82%	0.815	S	S	*	*			trans	92.8	124.3	176	-57	160.6	0	0	0	111.8
443	V	29	Very low	30	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	81%	0.81	S	S	*	*			cis	-159.7	132.1	33.1	170.8	0	0	0	0	107.3
444	V	28.7	Very low	29.6	Very low	143 Å²	143	138.7 Å²	138.7	87%	0.867	81%	0.806	S	S	*	*			trans	-164.4	116	131.1	173.6	0	0	0	0	107.2
445	M	28.1	Very low	29.6	Very low	192 Å²	192	139.1 Å²	139.1	95%	0.946	80%	0.803	S	S	*	*			trans	-111.5	144.7	171.8	-107.4	-106.2	-113.6	0	0	108.6
446	G	27.2	Very low	29.9	Very low	63 Å²	63	141 Å²	141	65%	0.649	80%	0.802	S	S	*	*			trans	104.8	128.2	165.9	0	0	0	0	0	112.9
447	L	28.4	Very low	30.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	80%	0.803	S	S	*	*			cis	-159.9	143.5	14	-108.3	148.3	0	0	0	108.2
448	L	28.2	Very low	30.8	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	84%	0.835	S	S	*	*			trans	-60.9	150.7	165	-90.8	92.1	0	0	0	111.3
449	G	27.2	Very low	30.8	Very low	61 Å²	61	144.5 Å²	144.5	63%	0.629	84%	0.839	S	S	*	*				129.3	117.8	127	0	0	0	0	0	118.1
450	T	29.5	Very low	30.9	Very low	139 Å²	139	146.8 Å²	146.8	85%	0.853	85%	0.846	S	S	*	*			trans	91.4	131.2	133.6	44.8	0	0	0	0	122.9
451	M	28.7	Very low	31	Very low	173 Å²	173	141.7 Å²	141.7	85%	0.852	84%	0.843	S	S	*	*			trans	78.3	111.5	154.4	-68.1	-173.5	-179.4	0	0	118
452	I	32.3	Very low	31.2	Very low	152 Å²	152	145.2 Å²	145.2	78%	0.779	85%	0.853	S	S	*	*				66.4	105.3	61.6	-63.9	-176.7	0	0	0	113.1
453	L	30.7	Very low	31.3	Very low	149 Å²	149	143.8 Å²	143.8	78%	0.78	85%	0.851	S	S	*	*			trans	59.2	118	145.4	-97.3	108.2	0	0	0	120
454	L	30.6	Very low	31.5	Very low	150 Å²	150	144.9 Å²	144.9	79%	0.785	86%	0.856	S	S	*	*				173.1	142.5	96	-100.7	155.5	0	0	0	114.6
455	S	32.4	Very low	31.7	Very low	104 Å²	104	145 Å²	145	73%	0.727	86%	0.856	S	S	*	*			trans	58.9	126.8	142.9	61.6	0	0	0	0	123.4
456	E	39.3	Very low	31.9	Very low	182 Å²	182	141.4 Å²	141.4	85%	0.85	85%	0.849	S	S	*	*			trans	-30.7	147	147.1	-61.1	169.4	141.9	0	0	115.8
457	V	40	Very low	32.3	Very low	142 Å²	142	147.9 Å²	147.9	86%	0.861	87%	0.865	S	S	*	*				167.2	112.9	111.1	166.2	0	0	0	0	108.2
458	A	40.6	Very low	32.7	Very low	175 Å²	175	145.4 Å²	145.4	100%	1.446	86%	0.86	S	S	*	*			trans	163.2	0	139.9	0	0	0	0	0	110

Retrieved 458 of 458 residues in 504.9 ms (Link to these results)

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