A0A077ZJ48_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,012 aa.

						>A0A077ZJ48_TRITR|A0A077ZJ48
MFLQNTASSRAPQGGADNNTDPFPLRRKVVEALGSLWQPQGTMPITPGTGCMPRLSESAYQTTTDNGDGRYNIWQSYSTLSFLRFCCKGADDWEWLIYTTRLLGTCATYRLFLDAGDRFDRPRISTLCAKLKDQNIAELRQRFYYNGNDPDEDLSIVVLNRSMQCLAEWVAASPRNSYDEDVFLRLIQIGMLLPNVDCMKEDRLTYAVNPEFVGGTFSFGPCSPRHVYPVEAMAIPVDRYIDVCRCVVSDMGEFSHDYWDKSVAVIPVRASDRGRWLIPYTFAHLTSMIFNAQTPVLSVTRGRTRLDAVPLASLCAIPGPERVLFVLVDATTRDTLFRSWRCGSSQLGVDVPVWVSSYPLPQPASLEPLFWDWLNGGSHGHDVGMAWENLAARSQAGLKPVSAITMAAELFTRKFWPKALPSQSVSDPGVVDLNTFATNDSATVRDDVSTPANANLTEHVVKRPEIEPRDQWVLFWAKPDLRTQRPYSHLALFNQENDDIAETFWHPSLPTVAPYIVELRNAPQLKLPDDTAADVDWAVVVESNYDRHFDVVPCASREAAYAFLMSRGETDTLISQVEPQEAPSCACAISMLIKRLHLFDIGGSTTAPTLNKCGRWWTETKAASERIAGQCGCPDLYLAYETDLENDSDAVAAFQPLFLCRSSPHMRTWTAEWSISKNRVTMTEMDDVERSPMLLNGHSENWFDGCCVRGGFHLHRVGSTLGFYEPDGDTPFFLSAEEMSMFVRRVACLAGGLFEVLIATHGFNAPMVMGLYEEVANYNVTNNLDALWMPTFGHICGWYANRNSWLSYGGLKFPRFLLRGDDHTYWSSVFFGLTPHYEIKILLVKLGIWSDDGWWPRDLSTLFERRGIQIDSANSCLLEMQVGESLSARNCVPRAIFFHYDGQGEWLLKEAIAFGGPWQLFDHCGFSLAWGCRSTGSPTAHIEMIRPFGVVVHPICPPRFMQVDYSVPSSALWIDTVGPGSGGCETKVSSEYLSIKSEGTLFIHSVIQLSRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	24.8	Very low	235 Å²	235	156.9 Å²	156.9	100%	1.158	85%	0.853	S	S	*	*				0	94.5	0	-80.6	179	-179.1	0	0	107.7
2	F	25.5	Very low	24.7	Very low	214 Å²	214	154.1 Å²	154.1	94%	0.939	85%	0.849	S	S	*	*			trans	-129.9	126.1	167.5	-75.6	-77.9	0	0	0	106.4
3	L	25.8	Very low	24.6	Very low	171 Å²	171	158 Å²	158	90%	0.895	86%	0.857	S	S	*	*			trans	-69	133.6	-159.1	-87.6	136.1	0	0	0	113.1	N5	L3-N5 PolarHBondContact O-N 3.4Å
4	Q	25.6	Very low	24.4	Very low	176 Å²	176	151 Å²	151	82%	0.822	84%	0.84	S	S	*	*			trans	-58	107.9	157.8	-75.4	171.6	-27.3	0	0	109	T6	Q4-T6 PolarHBondContact O-N 3.43Å
5	N	26	Very low	24.3	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	83%	0.833	S	S	*	*			trans	-87.7	85.4	161.1	-98.1	-12	0	0	0	108.6	L3 A7	L3-N5 PolarHBondContact O-N 3.4Å; N5-A7 PolarHBondContact O-N 2.75Å
6	T	24.3	Very low	24.3	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	82%	0.823	S	S	*	*			trans	-69.8	79.3	156.1	19.4	0	0	0	0	108.7	Q4	Q4-T6 PolarHBondContact O-N 3.43Å
7	A	25.1	Very low	24.3	Very low	85 Å²	85	141.3 Å²	141.3	70%	0.702	82%	0.817	S	S	*	*			trans	-96.6	82.4	162.6	0	0	0	0	0	108.6	N5 S9	N5-A7 PolarHBondContact O-N 2.75Å; A7-S9 PolarHBondContact O-N 3.41Å; A7-S9 VanDerWaalsContact O-N 3.11Å
8	S	22.1	Very low	24.4	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	81%	0.814	S	S	*	*			trans	-62	97.6	155.4	162.2	0	0	0	0	107.8
9	S	23.7	Very low	24.4	Very low	105 Å²	105	141.2 Å²	141.2	73%	0.734	81%	0.81	S	S	*	*			trans	-119.9	109.3	163.5	65	0	0	0	0	108.3	A7	A7-S9 PolarHBondContact O-N 3.41Å; A7-S9 VanDerWaalsContact O-N 3.11Å
10	R	20.1	Very low	24.5	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	81%	0.807	S	S	*	*			trans	-24.9	129.5	172.1	-76	170.4	167.7	171	-5.4	113.8
11	A	25	Very low	24.7	Very low	85 Å²	85	138.4 Å²	138.4	70%	0.702	79%	0.794	S	S	*	*			trans	-49.7	134.8	161.5	0	0	0	0	0	109.4	Q13	A11-Q13 PolarHBondContact O-N 3.27Å
12	P	23.9	Very low	24.5	Very low	123 Å²	123	131.6 Å²	131.6	80%	0.799	77%	0.768	S	S	*	*			trans	-58.4	118.1	177.9	23.4	-30.7	0	0	0	108.4	G14	P12-G14 PolarHBondContact O-N 3.2Å
13	Q	23.6	Very low	24.5	Very low	205 Å²	205	125.5 Å²	125.5	96%	0.958	74%	0.741	S	S	*	*			trans	-70.1	61.2	163.6	-74.3	-177.8	-26.5	0	0	108.9	A11	A11-Q13 PolarHBondContact O-N 3.27Å
14	G	21.8	Very low	24.5	Very low	60 Å²	60	121.5 Å²	121.5	62%	0.619	73%	0.726	S	S	*	*			trans	-103.5	90.1	159.5	0	0	0	0	0	105.3	P12 A16	P12-G14 PolarHBondContact O-N 3.2Å; G14-A16 PolarHBondContact O-N 3.18Å
15	G	21.9	Very low	24.7	Very low	71 Å²	71	119.1 Å²	119.1	73%	0.732	72%	0.718	S	S	*	*			trans	-54.8	112.7	160.6	0	0	0	0	0	105.5	D17	G15-D17 PolarHBondContact O-N 3.17Å
16	A	25.2	Very low	24.9	Very low	82 Å²	82	114.5 Å²	114.5	68%	0.678	69%	0.689	S	S	*	*			trans	-54.1	113.4	167.1	0	0	0	0	0	104.9	G14 N18	G14-A16 PolarHBondContact O-N 3.18Å; A16-N18 PolarHBondContact O-N 3.21Å
17	D	23.5	Very low	25.2	Very low	135 Å²	135	116.8 Å²	116.8	72%	0.722	68%	0.682	S	S	*	*			trans	-55.9	95.9	171.7	-93.7	-38.1	0	0	0	106.3	G15 N19	G15-D17 PolarHBondContact O-N 3.17Å; D17-N19 PolarHBondContact O-N 3.2Å
18	N	26.2	Very low	25.5	Very low	141 Å²	141	120.1 Å²	120.1	75%	0.754	68%	0.681	S	S	*	*			trans	-65.2	5.4	171.4	-79.7	-12.5	0	0	0	111.7	A16 T20	A16-N18 PolarHBondContact O-N 3.21Å; N18-T20 PolarHBondContact O-N 2.92Å
19	N	24.7	Very low	25.9	Very low	140 Å²	140	116.4 Å²	116.4	75%	0.749	65%	0.653	S	S	*	*			trans	-82.1	42.5	168.6	-74.5	-15.2	0	0	0	111.6	D17 D21	D17-N19 PolarHBondContact O-N 3.2Å; N19-D21 PolarHBondContact O-N 3.25Å
20	T	26.8	Very low	26.2	Very low	123 Å²	123	115.2 Å²	115.2	76%	0.755	64%	0.641	S	S	*	*			trans	-68	81.9	157.3	44.3	0	0	0	0	107.4	N18 P22	N18-T20 PolarHBondContact O-N 2.92Å; T20-P22 WeakPolarHBondContact O-CD 3.43Å
21	D	27.6	Very low	26.7	Very low	100 Å²	100	109.4 Å²	109.4	54%	0.535	62%	0.624	S	S	.	*			trans	-47.6	115.5	171.2	-171.8	17.2	0	0	0	108.2	N19 F23 P24	N19-D21 PolarHBondContact O-N 3.25Å; D21-F23 PolarHBondContact O-N 2.74Å; D21-F23 VanDerWaalsContact O-N 3.1Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; D21-P24 WeakPolarHBondContact O-CD 3.3Å
22	P	25.7	Very low	26.9	Very low	93 Å²	93	108 Å²	108	60%	0.604	61%	0.613	S	S	*	*	S	Bend	trans	-73.2	-1.4	-170.5	25.9	-32.2	0	0	0	113.6	T20 R26	T20-P22 WeakPolarHBondContact O-CD 3.43Å; P22-R26 PolarHBondContact O-N 2.83Å
23	F	26.1	Very low	27	Very low	85 Å²	85	103.7 Å²	103.7	37%	0.373	58%	0.583	S	S	.	*	H	α-helix	trans	-66.2	-33.6	-175.9	-80.2	-94.3	0	0	0	116.4	D21 L25 R26 R27 L159	D21-F23 PolarHBondContact O-N 2.74Å; D21-F23 VanDerWaalsContact O-N 3.1Å; D21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; F23-L25 PolarHBondContact O-N 2.81Å; F23-R26 WeakPolarHBondContact O-CB 3.48Å; F23-R26 PolarHBondContact O-N 2.84Å; F23-R27 PolarHBondContact O-N 3.22Å; F23-L159 HydrophobicContact CD1-CD2 4.31Å; F23-L159 HydrophobicContact CE1-CD2 3.67Å
24	P	26.6	Very low	27.1	Very low	88 Å²	88	96 Å²	96	57%	0.571	56%	0.558	S	S	*	*	H	α-helix	trans	-66.3	-38.1	178	-17.8	30.9	0	0	0	112.6	D21 R26 R27 K28	D21-P24 WeakPolarHBondContact O-CD 3.3Å; P24-R26 VanDerWaalsContact C-N 3.31Å; P24-R27 PolarHBondContact O-N 3.18Å; P24-K28 PolarHBondContact O-N 3.27Å
25	L	29.4	Very low	27.2	Very low	125 Å²	125	97.8 Å²	97.8	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-66.3	-36.9	173.7	-107.7	136.9	0	0	0	110.9	F23 K28 V29	F23-L25 PolarHBondContact O-N 2.81Å; L25-K28 PolarHBondContact O-N 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 3.46Å
26	R	29.7	Very low	27.3	Very low	61 Å²	61	100.9 Å²	100.9	23%	0.23	56%	0.561	C	S	.	*	H	α-helix	trans	-63.6	-41.4	176.8	-139.1	177.9	-164.6	-174.8	6.3	112.7	P22 F23 P24 K28 V29 V30 M163 I189	P22-R26 PolarHBondContact O-N 2.83Å; F23-R26 WeakPolarHBondContact O-CB 3.48Å; F23-R26 PolarHBondContact O-N 2.84Å; P24-R26 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.08Å; R26-V29 PolarHBondContact O-N 2.78Å; R26-V30 WeakPolarHBondContact O-CB 3.49Å; R26-V30 VanDerWaalsContact O-CG2 3.26Å; R26-V30 WeakPolarHBondContact O-CG2 3.48Å; R26-V30 PolarHBondContact O-N 3.36Å; R26-M163 VanDerWaalsContact CZ-SD 3.51Å; R26-M163 PolarHBondContact NH1-SD 3.05Å; R26-M163 PolarHBondContact NH2-SD 2.8Å; R26-I189 PolarHBondContact NH2-O 3.21Å
27	R	30.8	Very low	27.2	Very low	182 Å²	182	106.5 Å²	106.5	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-60.6	-44.9	176.4	-167.8	178.9	-171.1	156.8	7.3	111.8	F23 P24 V29 V30 E31	F23-R27 PolarHBondContact O-N 3.22Å; P24-R27 PolarHBondContact O-N 3.18Å; R27-V29 PolarHBondContact O-N 2.66Å; R27-V30 PolarHBondContact O-N 2.9Å; R27-E31 IonicContact NE-OE1 2.86Å; R27-E31 WeakPolarHBondContact O-CB 3.34Å; R27-E31 WeakPolarHBondContact O-CG 3.5Å; R27-E31 PolarHBondContact O-N 2.86Å
28	K	31.5	Very low	27	Very low	155 Å²	155	108.9 Å²	108.9	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-63.7	-39.5	177.2	-73.6	-173.5	175.9	-178.3	0	112.7	P24 L25 R26 E31 A32	P24-K28 PolarHBondContact O-N 3.27Å; L25-K28 PolarHBondContact O-N 3.31Å; R26-K28 PolarHBondContact O-N 3.08Å; K28-E31 PolarHBondContact O-N 3.04Å; K28-A32 WeakPolarHBondContact O-CB 3.31Å; K28-A32 PolarHBondContact O-N 2.82Å
29	V	30.4	Very low	26.8	Very low	44 Å²	44	108 Å²	108	27%	0.267	57%	0.573	S	S	.	*	H	α-helix	trans	-69.1	-40.7	176.1	174.6	0	0	0	0	111	L25 R26 R27 E31 A32 L33 I187	L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 3.46Å; R26-V29 PolarHBondContact O-N 2.78Å; R27-V29 PolarHBondContact O-N 2.66Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-A32 PolarHBondContact O-N 3.32Å; V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.31Å; V29-L33 WeakPolarHBondContact O-CB 3.48Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.39Å; V29-L33 PolarHBondContact O-N 3.07Å; V29-I187 HydrophobicContact CG1-CG2 4.42Å
30	V	30	Very low	26.7	Very low	80 Å²	80	110.9 Å²	110.9	49%	0.485	58%	0.582	S	S	.	*	H	α-helix	trans	-66	-36.4	174.8	172.7	0	0	0	0	111.4	R26 R27 L33 G34	R26-V30 WeakPolarHBondContact O-CB 3.49Å; R26-V30 VanDerWaalsContact O-CG2 3.26Å; R26-V30 WeakPolarHBondContact O-CG2 3.48Å; R26-V30 PolarHBondContact O-N 3.36Å; R27-V30 PolarHBondContact O-N 2.9Å; V30-L33 PolarHBondContact O-N 2.75Å; V30-G34 WeakPolarHBondContact O-CA 3.41Å; V30-G34 PolarHBondContact O-N 3.37Å
31	E	30.8	Very low	26.3	Very low	119 Å²	119	108 Å²	108	56%	0.556	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-44	172.5	-78.4	171.9	-177.7	0	0	111.5	R27 K28 V29 G34 S35	R27-E31 IonicContact NE-OE1 2.86Å; R27-E31 WeakPolarHBondContact O-CB 3.34Å; R27-E31 WeakPolarHBondContact O-CG 3.5Å; R27-E31 PolarHBondContact O-N 2.86Å; K28-E31 PolarHBondContact O-N 3.04Å; V29-E31 VanDerWaalsContact C-N 3.35Å; E31-G34 PolarHBondContact O-N 3.4Å; E31-S35 PolarHBondContact O-N 3.48Å
32	A	28.7	Very low	26	Very low	57 Å²	57	109.8 Å²	109.8	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-62.1	-42.9	174.8	0	0	0	0	0	112	K28 V29 S35	K28-A32 WeakPolarHBondContact O-CB 3.31Å; K28-A32 PolarHBondContact O-N 2.82Å; V29-A32 PolarHBondContact O-N 3.32Å; A32-S35 PolarHBondContact O-N 3.11Å; A32-S35 PolarHBondContact O-OG 3.44Å
33	L	26.7	Very low	25.6	Very low	32 Å²	32	113.6 Å²	113.6	17%	0.168	60%	0.604	C	S	.	*	H	α-helix	trans	-71.9	-35.2	176	-71.1	170.4	0	0	0	112.4	V29 V30 S35 L36 I187 Q188	V29-L33 HydrophobicContact CG1-CD1 3.81Å; V29-L33 HydrophobicContact CG1-CG 4.31Å; V29-L33 WeakPolarHBondContact O-CB 3.48Å; V29-L33 VanDerWaalsContact O-CG 3.27Å; V29-L33 WeakPolarHBondContact O-CG 3.39Å; V29-L33 PolarHBondContact O-N 3.07Å; V30-L33 PolarHBondContact O-N 2.75Å; L33-S35 PolarHBondContact O-N 2.93Å; L33-L36 HydrophobicContact CD2-CD1 4.17Å; L33-L36 WeakPolarHBondContact O-CB 3.24Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-L36 VanDerWaalsContact O-N 3.08Å; L33-I187 HydrophobicContact CD1-CG2 4.5Å; L33-Q188 HydrophobicContact CD1-CG 3.78Å
34	G	24.1	Very low	25.3	Very low	43 Å²	43	114.9 Å²	114.9	44%	0.443	62%	0.621	S	S	.	*	H	α-helix	trans	-63	-30	174.5	0	0	0	0	0	112	V30 E31 L36 W37	V30-G34 WeakPolarHBondContact O-CA 3.41Å; V30-G34 PolarHBondContact O-N 3.37Å; E31-G34 PolarHBondContact O-N 3.4Å; G34-L36 VanDerWaalsContact C-N 3.31Å; G34-L36 PolarHBondContact O-N 3.17Å; G34-W37 PolarHBondContact O-N 2.87Å
35	S	25.2	Very low	25.1	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	63%	0.629	S	S	*	*	H	α-helix	trans	-70.3	-24.2	173.5	80.3	0	0	0	0	113.8	E31 A32 L33 W37	E31-S35 PolarHBondContact O-N 3.48Å; A32-S35 PolarHBondContact O-N 3.11Å; A32-S35 PolarHBondContact O-OG 3.44Å; L33-S35 PolarHBondContact O-N 2.93Å; S35-W37 PolarHBondContact O-N 3.07Å
36	L	23.9	Very low	24.6	Very low	136 Å²	136	118 Å²	118	71%	0.712	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-10.3	172.6	-69.9	161.8	0	0	0	112.5	L33 G34	L33-L36 HydrophobicContact CD2-CD1 4.17Å; L33-L36 WeakPolarHBondContact O-CB 3.24Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-L36 VanDerWaalsContact O-N 3.08Å; G34-L36 VanDerWaalsContact C-N 3.31Å; G34-L36 PolarHBondContact O-N 3.17Å
37	W	22.2	Very low	24.3	Very low	200 Å²	200	120.7 Å²	120.7	76%	0.758	66%	0.662	S	S	*	*			trans	-104.4	84	-175.4	-106.9	53.3	0	0	0	111.9	G34 S35	G34-W37 PolarHBondContact O-N 2.87Å; S35-W37 PolarHBondContact O-N 3.07Å
38	Q	20.9	Very low	23.8	Very low	185 Å²	185	115.2 Å²	115.2	86%	0.864	66%	0.662	S	S	*	*			trans	-133.6	118	148.3	-81.7	-154.6	0.9	0	0	111.2
39	P	21.8	Very low	23.4	Very low	122 Å²	122	115.5 Å²	115.5	79%	0.792	68%	0.677	S	S	*	*			trans	-93.9	117.8	-171.9	34.2	-31	0	0	0	112.8
40	Q	21.7	Very low	22.9	Very low	200 Å²	200	116.8 Å²	116.8	94%	0.935	70%	0.699	S	S	*	*			trans	-149.3	135.2	159.2	-66.2	-168	3.6	0	0	106.7
41	G	19.4	Very low	22.4	Very low	64 Å²	64	118.7 Å²	118.7	66%	0.66	71%	0.714	S	S	*	*			cis	-178.8	149.3	1.2	0	0	0	0	0	106.8
42	T	19.8	Very low	21.8	Very low	136 Å²	136	121.6 Å²	121.6	83%	0.834	73%	0.73	S	S	*	*			trans	34.4	116.3	150.5	49.3	0	0	0	0	120
43	M	18.9	Very low	21.4	Very low	174 Å²	174	124.6 Å²	124.6	86%	0.857	75%	0.745	S	S	*	*				-155	131.6	129.7	-105.5	-152.2	-150.5	0	0	114.1	I45	M43-I45 HydrophobicContact SD-CD1 4.45Å
44	P	20	Very low	21.1	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	78%	0.776	S	S	*	*			trans	-98.8	124.5	166.6	34	-23.7	0	0	0	110.7
45	I	20.7	Very low	20.9	Very low	146 Å²	146	140.5 Å²	140.5	75%	0.749	80%	0.802	S	S	*	*			trans	-137	115.6	159.1	-55.4	-179.5	0	0	0	108.3	M43	M43-I45 HydrophobicContact SD-CD1 4.45Å
46	T	20.2	Very low	20.6	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	80%	0.801	S	S	*	*			trans	-99	113.7	-174.7	-46.2	0	0	0	0	109.5
47	P	22.4	Very low	20.3	Very low	118 Å²	118	142 Å²	142	77%	0.766	81%	0.806	S	S	*	*			trans	-88.8	133.4	171.3	-5.8	25.1	0	0	0	111
48	G	20.1	Very low	20.2	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	80%	0.799	S	S	*	*			trans	-72.5	153.5	-177.6	0	0	0	0	0	114.8	G50	G48-G50 PolarHBondContact O-N 3.24Å
49	T	23.4	Very low	20.1	Very low	162 Å²	162	132.8 Å²	132.8	99%	0.994	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	19	-173.7	37.6	0	0	0	0	116.4
50	G	20.1	Very low	19.9	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-7.6	-171.9	0	0	0	0	0	116.8	G48	G48-G50 PolarHBondContact O-N 3.24Å
51	C	19.8	Very low	19.7	Very low	119 Å²	119	135 Å²	135	80%	0.804	79%	0.791	S	S	*	*			trans	-125.8	60.2	-168.1	-54.1	0	0	0	0	112.3	P53	C51-P53 WeakPolarHBondContact O-CD 3.49Å
52	M	19.1	Very low	19.7	Very low	180 Å²	180	137.5 Å²	137.5	89%	0.887	79%	0.794	S	S	*	*			trans	-102.6	99.6	162.9	-97.6	-155.5	168.6	0	0	109.5	R54	M52-R54 PolarHBondContact O-N 3.48Å
53	P	19.6	Very low	19.7	Very low	120 Å²	120	137.3 Å²	137.3	78%	0.779	79%	0.792	S	S	*	*			trans	-68.7	122.6	159.3	-3.9	19.5	0	0	0	108.1	C51 L55	C51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-L55 PolarHBondContact O-N 2.72Å
54	R	19.8	Very low	19.7	Very low	220 Å²	220	134.6 Å²	134.6	83%	0.83	79%	0.786	S	S	*	*			trans	-60.1	124	175.5	-68.5	175.1	172.6	178.3	-3.4	109.3	M52 S56	M52-R54 PolarHBondContact O-N 3.48Å; R54-S56 PolarHBondContact O-N 3.03Å
55	L	19.8	Very low	19.7	Very low	189 Å²	189	136.1 Å²	136.1	99%	0.99	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	53.4	168.4	-82.4	159	0	0	0	111.1	P53	P53-L55 PolarHBondContact O-N 2.72Å
56	S	19.8	Very low	19.7	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	7.9	174.4	65.4	0	0	0	0	113.8	R54	R54-S56 PolarHBondContact O-N 3.03Å
57	E	17.6	Very low	19.6	Very low	171 Å²	171	134.4 Å²	134.4	80%	0.799	79%	0.794	S	S	*	*	S	Bend	trans	-110.9	103.7	171.6	-75.5	178.3	173.1	0	0	108.2	A59	E57-A59 PolarHBondContact O-N 3.01Å
58	S	19.6	Very low	19.5	Very low	88 Å²	88	135.6 Å²	135.6	62%	0.615	80%	0.795	S	S	*	*			trans	-18.7	103.8	143.7	42.5	0	0	0	0	110.7	Y60	S58-Y60 WeakPolarHBondContact O-CD2 3.27Å; S58-Y60 PolarHBondContact O-N 2.89Å
59	A	18.1	Very low	19.4	Very low	102 Å²	102	136.6 Å²	136.6	84%	0.843	81%	0.805	S	S	*	*			trans	-63.5	91	157.9	0	0	0	0	0	105.5	E57 Q61	E57-A59 PolarHBondContact O-N 3.01Å; A59-Q61 PolarHBondContact O-N 2.82Å
60	Y	17.6	Very low	19.1	Very low	184 Å²	184	135.8 Å²	135.8	72%	0.722	78%	0.783	S	S	*	*			trans	-45.2	114.5	165.9	-98.1	-100.7	0	0	0	108.4	S58 T62	S58-Y60 WeakPolarHBondContact O-CD2 3.27Å; S58-Y60 PolarHBondContact O-N 2.89Å; Y60-T62 HydrophobicContact CD1-CG2 4.14Å; Y60-T62 PolarHBondContact O-N 3.16Å; Y60-T62 VanDerWaalsContact O-N 3.14Å
61	Q	18.4	Very low	19.2	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	79%	0.787	S	S	*	*			trans	-59.2	105.4	151.8	-72.4	173.3	-31.9	0	0	106.6	A59	A59-Q61 PolarHBondContact O-N 2.82Å
62	T	19.4	Very low	19.1	Very low	115 Å²	115	143 Å²	143	71%	0.706	78%	0.784	S	S	*	*			trans	-116	15.4	170.5	38.6	0	0	0	0	113.2	Y60	Y60-T62 HydrophobicContact CD1-CG2 4.14Å; Y60-T62 PolarHBondContact O-N 3.16Å; Y60-T62 VanDerWaalsContact O-N 3.14Å
63	T	19.3	Very low	19	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	78%	0.781	S	S	*	*			trans	-119.9	81.8	160.2	58.9	0	0	0	0	108.8
64	T	18.2	Very low	19	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.724	78%	0.775	S	S	*	*			trans	-49.1	145.8	148.7	37.7	0	0	0	0	109.4
65	D	20.5	Very low	19	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	77%	0.765	S	S	*	*	S	Bend	trans	106.5	48.6	172.1	-48.3	-17.1	0	0	0	115.9
66	N	20.2	Very low	19	Very low	161 Å²	161	136.1 Å²	136.1	86%	0.861	75%	0.75	S	S	*	*			trans	-177.8	118.5	130.7	-86	-22.4	0	0	0	110.4	D68	N66-D68 VanDerWaalsContact C-N 3.32Å; N66-D68 PolarHBondContact O-N 3.1Å; N66-D68 VanDerWaalsContact O-N 3.13Å
67	G	18.9	Very low	19	Very low	81 Å²	81	141 Å²	141	84%	0.835	76%	0.755	S	S	*	*			trans	-80.3	28.7	-166	0	0	0	0	0	117.7	G69	G67-G69 PolarHBondContact O-N 3Å
68	D	20.4	Very low	19.2	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	73%	0.726	S	S	*	*			trans	-105.6	70.9	-175.7	-72.6	-26.7	0	0	0	112.7	N66 R70	N66-D68 VanDerWaalsContact C-N 3.32Å; N66-D68 PolarHBondContact O-N 3.1Å; N66-D68 VanDerWaalsContact O-N 3.13Å; D68-R70 PolarHBondContact O-N 3.48Å
69	G	17.2	Very low	19.4	Very low	87 Å²	87	131.5 Å²	131.5	90%	0.897	71%	0.706	S	S	*	*			trans	-71.6	33.6	176.3	0	0	0	0	0	115.7	G67	G67-G69 PolarHBondContact O-N 3Å
70	R	18.9	Very low	19.7	Very low	144 Å²	144	128.4 Å²	128.4	54%	0.543	68%	0.675	S	S	.	*			trans	-99.3	146.1	-179	-62.6	-174.3	-175.5	174.7	6.9	110.4	D68 D440	D68-R70 PolarHBondContact O-N 3.48Å; R70-D440 IonicContact CZ-OD2 3.71Å; R70-D440 IonicContact NH1-OD2 3.54Å; R70-D440 PolarHBondContact NH1-OD2 3.12Å; R70-D440 IonicContact NH2-OD2 3.43Å; R70-D440 PolarHBondContact NH2-OD2 3.15Å
71	Y	20.2	Very low	20.1	Very low	204 Å²	204	119.9 Å²	119.9	80%	0.8	64%	0.643	S	S	*	*			trans	85.8	67.3	168.9	-43.1	-72.9	0	0	0	118
72	N	17.8	Very low	20.8	Very low	139 Å²	139	111.4 Å²	111.4	74%	0.743	60%	0.603	S	S	*	*			trans	-121	110.4	154.9	-85.3	-40	0	0	0	110.1	W74	N72-W74 PolarHBondContact O-N 3.37Å
73	I	18.5	Very low	21.2	Very low	160 Å²	160	106.3 Å²	106.3	82%	0.821	57%	0.571	S	S	*	*			trans	-72.9	67	-176.1	-54.7	168.3	0	0	0	109.6
74	W	18.4	Very low	21.6	Very low	173 Å²	173	102.5 Å²	102.5	66%	0.655	54%	0.542	S	S	*	.			trans	-108.2	121	178.5	-77.2	59	0	0	0	110.8	N72 K399	N72-W74 PolarHBondContact O-N 3.37Å; W74-K399 PolarHBondContact O-NZ 3.49Å
75	Q	19.7	Very low	22.2	Very low	134 Å²	134	98.1 Å²	98.1	63%	0.626	51%	0.513	S	S	*	.			trans	62.4	91.9	148.1	-62.1	173.2	-18.2	0	0	117.2
76	S	20	Very low	22.5	Very low	96 Å²	96	92.7 Å²	92.7	67%	0.671	49%	0.486	S	S	*	.			trans	-118.1	108.3	152.2	50.4	0	0	0	0	108.6	S78	S76-S78 PolarHBondContact O-N 3.44Å; S76-S78 VanDerWaalsContact O-N 3.13Å
77	Y	19.9	Very low	22.8	Very low	200 Å²	200	85.4 Å²	85.4	78%	0.784	45%	0.448	S	S	*	.			trans	-62.4	103	173.5	-64.3	-94.9	0	0	0	109.3
78	S	22.4	Very low	23.2	Very low	28 Å²	28	88.5 Å²	88.5	20%	0.196	44%	0.438	C	S	.	.			trans	-103.6	87.3	163.5	76.6	0	0	0	0	107.8	S76	S76-S78 PolarHBondContact O-N 3.44Å; S76-S78 VanDerWaalsContact O-N 3.13Å
79	T	23	Very low	23.5	Very low	30 Å²	30	82.8 Å²	82.8	18%	0.184	41%	0.413	C	S	.	.			trans	-59.4	146.9	162.2	15.7	0	0	0	0	108.2	S81 W276	T79-S81 PolarHBondContact O-N 3.33Å; T79-W276 VanDerWaalsContact C-CH2 3.47Å; T79-W276 VanDerWaalsContact CB-CZ2 3.43Å; T79-W276 WeakPolarHBondContact O-CH2 3.38Å; T79-W276 WeakPolarHBondContact O-CZ3 3.33Å; T79-W276 VanDerWaalsContact OG1-CE2 3.24Å; T79-W276 WeakPolarHBondContact OG1-CZ2 3.27Å; T79-W276 PolarHBondContact OG1-NE1 3.03Å
80	L	24.7	Very low	24	Very low	38 Å²	38	83.6 Å²	83.6	20%	0.199	41%	0.411	C	S	.	.			trans	-60.6	120	-165.9	-58.7	159.1	0	0	0	111.6	F82 D179 V182	L80-F82 HydrophobicContact CB-CD2 3.96Å; L80-F82 HydrophobicContact CB-CE2 3.52Å; L80-F82 HydrophobicContact CB-CZ 4.27Å; L80-F82 HydrophobicContact CD1-CE2 4.08Å; L80-F82 HydrophobicContact CD2-CD2 4.43Å; L80-F82 HydrophobicContact CD2-CE1 4.45Å; L80-F82 HydrophobicContact CD2-CE2 3.26Å; L80-F82 HydrophobicContact CD2-CZ 3.25Å; L80-F82 HydrophobicContact CG-CE2 3.75Å; L80-F82 HydrophobicContact CG-CZ 4.24Å; L80-D179 HydrophobicContact CD1-CB 4.41Å; L80-D179 HydrophobicContact CD2-CB 4.47Å; L80-V182 HydrophobicContact CD1-CG1 4.16Å
81	S	26.8	Very low	24.4	Very low	5 Å²	5	84.4 Å²	84.4	4%	0.035	43%	0.426	C	S	.	.			trans	-120.9	94.9	159.3	-73.7	0	0	0	0	107.4	T79 W276	T79-S81 PolarHBondContact O-N 3.33Å; S81-W276 VanDerWaalsContact OG-CH2 3.22Å; S81-W276 WeakPolarHBondContact OG-CH2 3.49Å; S81-W276 WeakPolarHBondContact OG-CZ3 3.29Å
82	F	31.4	Very low	24.6	Very low	8 Å²	8	80.5 Å²	80.5	4%	0.035	42%	0.419	C	S	.	.			trans	-91.5	112.1	173.1	-62.3	-72.6	0	0	0	108.8	L80 R84 I97 Y98 T99 F183 L186 L192 P267	L80-F82 HydrophobicContact CB-CD2 3.96Å; L80-F82 HydrophobicContact CB-CE2 3.52Å; L80-F82 HydrophobicContact CB-CZ 4.27Å; L80-F82 HydrophobicContact CD1-CE2 4.08Å; L80-F82 HydrophobicContact CD2-CD2 4.43Å; L80-F82 HydrophobicContact CD2-CE1 4.45Å; L80-F82 HydrophobicContact CD2-CE2 3.26Å; L80-F82 HydrophobicContact CD2-CZ 3.25Å; L80-F82 HydrophobicContact CG-CE2 3.75Å; L80-F82 HydrophobicContact CG-CZ 4.24Å; F82-R84 PolarHBondContact O-N 2.86Å; F82-I97 HydrophobicContact CB-CG2 4.23Å; F82-I97 HydrophobicContact CD1-CG2 3.74Å; F82-I97 HydrophobicContact CG-CG2 4.42Å; F82-Y98 WeakPolarHBondContact CA-O 3.47Å; F82-T99 HydrophobicContact CD1-CG2 3.81Å; F82-T99 HydrophobicContact CE1-CG2 3.54Å; F82-F183 HydrophobicContact CD1-CE2 4.42Å; F82-F183 AromaticContact CE1-CD2 3.87Å; F82-F183 HydrophobicContact CE1-CD2 3.87Å; F82-F183 AromaticContact CE1-CE2 3.49Å; F82-F183 HydrophobicContact CE1-CE2 3.49Å; F82-F183 VanDerWaalsContact CE1-CE2 3.49Å; F82-F183 AromaticContact CE2-CD2 3.64Å; F82-F183 HydrophobicContact CE2-CD2 3.64Å; F82-F183 HydrophobicContact CE2-CE2 4.1Å; F82-F183 AromaticContact CZ-CD2 3.15Å; F82-F183 HydrophobicContact CZ-CD2 3.15Å; F82-F183 AromaticContact CZ-CE2 3.32Å; F82-F183 HydrophobicContact CZ-CE2 3.32Å; F82-F183 HydrophobicContact CZ-CG 4.37Å; F82-L186 HydrophobicContact CD2-CD1 4.46Å; F82-L186 HydrophobicContact CE2-CD1 4.42Å; F82-L192 HydrophobicContact CB-CD2 3.33Å; F82-L192 HydrophobicContact CD1-CD1 4.44Å; F82-L192 HydrophobicContact CD1-CD2 3.91Å; F82-L192 HydrophobicContact CD2-CD1 3.75Å; F82-L192 HydrophobicContact CD2-CD2 3.68Å; F82-L192 HydrophobicContact CD2-CG 4.33Å; F82-L192 HydrophobicContact CE1-CD1 4.45Å; F82-L192 HydrophobicContact CE2-CD1 3.72Å; F82-L192 HydrophobicContact CE2-CD2 4.44Å; F82-L192 HydrophobicContact CG-CD1 4.12Å; F82-L192 HydrophobicContact CG-CD2 3.36Å; F82-L192 HydrophobicContact CG-CG 4.4Å; F82-L192 HydrophobicContact CZ-CD1 4.13Å; F82-P267 HydrophobicContact CB-CG 3.88Å; F82-P267 HydrophobicContact CD2-CG 3.86Å; F82-P267 HydrophobicContact CG-CG 4.38Å; F82-P267 WeakPolarHBondContact O-CD 3.28Å
83	L	29.6	Very low	25.2	Very low	8 Å²	8	81.4 Å²	81.4	4%	0.042	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.5	172.5	-141	94.2	0	0	0	107.8	F85 I97 I266 H284 L285	L83-F85 HydrophobicContact CD2-CD1 3.72Å; L83-F85 HydrophobicContact CD2-CE1 3.96Å; L83-F85 HydrophobicContact CG-CD1 4.48Å; L83-I97 WeakPolarHBondContact O-CA 3.15Å; L83-I266 HydrophobicContact CD1-CD1 3.59Å; L83-I266 HydrophobicContact CD1-CG1 4Å; L83-H284 HydrophobicContact CD2-CB 4.3Å; L83-L285 HydrophobicContact CD1-CD2 4.11Å; L83-L285 HydrophobicContact CD2-CD2 4.31Å
84	R	28	Very low	25.6	Very low	52 Å²	52	78.4 Å²	78.4	20%	0.196	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.6	166.6	-176.4	179.3	175.4	-176.6	-2.8	108.6	F82 W95 G190 V265	F82-R84 PolarHBondContact O-N 2.86Å; R84-W95 HydrophobicContact CG-CE3 3.84Å; R84-W95 HydrophobicContact CG-CZ3 4.05Å; R84-G190 PolarHBondContact NH1-O 3.2Å; R84-V265 PolarHBondContact N-O 3.25Å; R84-V265 PolarHBondContact O-N 3Å
85	F	29.3	Very low	26	Very low	25 Å²	25	74.9 Å²	74.9	11%	0.11	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.9	168.2	68.6	-69.1	0	0	0	110.8	L83 C87 L96 Y98 I317	L83-F85 HydrophobicContact CD2-CD1 3.72Å; L83-F85 HydrophobicContact CD2-CE1 3.96Å; L83-F85 HydrophobicContact CG-CD1 4.48Å; F85-C87 WeakPolarHBondContact CD2-SG 3.36Å; F85-C87 WeakPolarHBondContact CE2-SG 3.34Å; F85-L96 HydrophobicContact CD1-CB 4.42Å; F85-L96 HydrophobicContact CE1-CB 3.91Å; F85-L96 HydrophobicContact CE1-CD1 4.43Å; F85-L96 HydrophobicContact CE2-CD1 4.38Å; F85-L96 HydrophobicContact CZ-CB 4.18Å; F85-L96 HydrophobicContact CZ-CD1 3.86Å; F85-L96 PolarHBondContact O-N 3.46Å; F85-Y98 AromaticContact CE1-CD2 3.83Å; F85-Y98 HydrophobicContact CE1-CD2 3.83Å; F85-Y98 AromaticContact CE1-CE2 3.67Å; F85-Y98 HydrophobicContact CE1-CE2 3.67Å; F85-Y98 AromaticContact CZ-CE2 3.9Å; F85-Y98 HydrophobicContact CZ-CE2 3.9Å; F85-I317 HydrophobicContact CE2-CG2 4.47Å
86	C	28.2	Very low	26.5	Very low	30 Å²	30	69.7 Å²	69.7	20%	0.203	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122	-178.7	-170.2	0	0	0	0	109.7	W95	C86-W95 HydrophobicContact CB-CD2 4.37Å; C86-W95 HydrophobicContact CB-CE3 3.99Å; C86-W95 HydrophobicContact CB-CH2 4.07Å; C86-W95 HydrophobicContact CB-CZ2 4.43Å; C86-W95 HydrophobicContact CB-CZ3 3.83Å
87	C	26.3	Very low	26.9	Very low	8 Å²	8	66.3 Å²	66.3	5%	0.054	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.5	179.3	-58.7	0	0	0	0	110.9	F85 G89 E94 L96	F85-C87 WeakPolarHBondContact CD2-SG 3.36Å; F85-C87 WeakPolarHBondContact CE2-SG 3.34Å; C87-G89 PolarHBondContact O-N 3.16Å; C87-E94 PolarHBondContact N-O 3.38Å; C87-E94 PolarHBondContact O-N 3.25Å; C87-L96 HydrophobicContact CB-CD1 4.4Å; C87-L96 VanDerWaalsContact SG-CD1 3.58Å
88	K	27.1	Very low	27.4	Very low	146 Å²	146	59.6 Å²	59.6	64%	0.635	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.2	163.8	-154.1	178.6	-173	-171.5	0	107.9	W93	K88-W93 HydrophobicContact CB-CE3 3.72Å; K88-W93 HydrophobicContact CB-CH2 4.12Å; K88-W93 HydrophobicContact CB-CZ3 3.49Å; K88-W93 VanDerWaalsContact CB-CZ3 3.49Å; K88-W93 HydrophobicContact CD-CE3 4.42Å; K88-W93 HydrophobicContact CD-CH2 3.49Å; K88-W93 VanDerWaalsContact CD-CH2 3.49Å; K88-W93 HydrophobicContact CD-CZ2 3.85Å; K88-W93 HydrophobicContact CD-CZ3 3.8Å; K88-W93 HydrophobicContact CG-CD2 4.01Å; K88-W93 HydrophobicContact CG-CE3 3.66Å; K88-W93 HydrophobicContact CG-CH2 3.68Å; K88-W93 HydrophobicContact CG-CZ2 4Å; K88-W93 HydrophobicContact CG-CZ3 3.49Å; K88-W93 VanDerWaalsContact CG-CZ3 3.49Å
89	G	27.2	Very low	27.7	Very low	24 Å²	24	61.7 Å²	61.7	25%	0.247	32%	0.317	C	S	.	.			trans	-70.1	175.6	164.3	0	0	0	0	0	110.9	C87 D91 D92	C87-G89 PolarHBondContact O-N 3.16Å; G89-D91 PolarHBondContact O-N 3.16Å; G89-D92 CarbonylContact C-O 3.57Å; G89-D92 WeakPolarHBondContact CA-O 3.31Å; G89-D92 PolarHBondContact N-O 3.48Å
90	A	27.2	Very low	27.8	Very low	103 Å²	103	63 Å²	63	85%	0.851	33%	0.326	S	S	*	.	S	Bend	trans	-57.9	-33.5	-173.5	0	0	0	0	0	113.1
91	D	26.6	Very low	27.8	Very low	161 Å²	161	67 Å²	67	86%	0.861	34%	0.338	S	S	*	.	S	Bend	trans	-138.2	-7.3	175.7	-73.6	-51.2	0	0	0	114.6	G89	G89-D91 PolarHBondContact O-N 3.16Å
92	D	24.7	Very low	27.6	Very low	122 Å²	122	74.1 Å²	74.1	65%	0.652	38%	0.375	S	S	*	.	S	Bend	trans	-141.1	155.9	-179.6	-101.9	-36.2	0	0	0	112.5	G89	G89-D92 CarbonylContact C-O 3.57Å; G89-D92 WeakPolarHBondContact CA-O 3.31Å; G89-D92 PolarHBondContact N-O 3.48Å
93	W	30.4	Very low	27.1	Very low	159 Å²	159	81.7 Å²	81.7	60%	0.602	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.4	-178.5	-58.7	93.5	0	0	0	110.8	K88	K88-W93 HydrophobicContact CB-CE3 3.72Å; K88-W93 HydrophobicContact CB-CH2 4.12Å; K88-W93 HydrophobicContact CB-CZ3 3.49Å; K88-W93 VanDerWaalsContact CB-CZ3 3.49Å; K88-W93 HydrophobicContact CD-CE3 4.42Å; K88-W93 HydrophobicContact CD-CH2 3.49Å; K88-W93 VanDerWaalsContact CD-CH2 3.49Å; K88-W93 HydrophobicContact CD-CZ2 3.85Å; K88-W93 HydrophobicContact CD-CZ3 3.8Å; K88-W93 HydrophobicContact CG-CD2 4.01Å; K88-W93 HydrophobicContact CG-CE3 3.66Å; K88-W93 HydrophobicContact CG-CH2 3.68Å; K88-W93 HydrophobicContact CG-CZ2 4Å; K88-W93 HydrophobicContact CG-CZ3 3.49Å; K88-W93 VanDerWaalsContact CG-CZ3 3.49Å
94	E	25.9	Very low	26.5	Very low	96 Å²	96	83 Å²	83	45%	0.449	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.2	-173.5	-69	-176.7	174.3	0	0	111.9	C87	C87-E94 PolarHBondContact N-O 3.38Å; C87-E94 PolarHBondContact O-N 3.25Å
95	W	28.4	Very low	26.1	Very low	100 Å²	100	85.9 Å²	85.9	38%	0.379	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.9	168.7	-65.2	92	0	0	0	108.9	R84 C86 L193 N195	R84-W95 HydrophobicContact CG-CE3 3.84Å; R84-W95 HydrophobicContact CG-CZ3 4.05Å; C86-W95 HydrophobicContact CB-CD2 4.37Å; C86-W95 HydrophobicContact CB-CE3 3.99Å; C86-W95 HydrophobicContact CB-CH2 4.07Å; C86-W95 HydrophobicContact CB-CZ2 4.43Å; C86-W95 HydrophobicContact CB-CZ3 3.83Å; W95-L193 HydrophobicContact CB-CD1 4.21Å; W95-L193 HydrophobicContact CD2-CD1 4.3Å; W95-L193 HydrophobicContact CG-CD1 3.93Å; W95-N195 PolarHBondContact O-ND2 3.15Å; W95-N195 VanDerWaalsContact O-ND2 3.14Å
96	L	28.5	Very low	25.6	Very low	25 Å²	25	91.1 Å²	91.1	13%	0.131	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.8	173.8	-67.5	176.1	0	0	0	109.9	F85 C87 C198	F85-L96 HydrophobicContact CD1-CB 4.42Å; F85-L96 HydrophobicContact CE1-CB 3.91Å; F85-L96 HydrophobicContact CE1-CD1 4.43Å; F85-L96 HydrophobicContact CE2-CD1 4.38Å; F85-L96 HydrophobicContact CZ-CB 4.18Å; F85-L96 HydrophobicContact CZ-CD1 3.86Å; F85-L96 PolarHBondContact O-N 3.46Å; C87-L96 HydrophobicContact CB-CD1 4.4Å; C87-L96 VanDerWaalsContact SG-CD1 3.58Å; L96-C198 HydrophobicContact CD2-CB 4.08Å
97	I	30.3	Very low	25.1	Very low	24 Å²	24	93.8 Å²	93.8	12%	0.123	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.8	167.8	-58.1	-164	0	0	0	108	F82 L83 T99 L192 L193	F82-I97 HydrophobicContact CB-CG2 4.23Å; F82-I97 HydrophobicContact CD1-CG2 3.74Å; F82-I97 HydrophobicContact CG-CG2 4.42Å; L83-I97 WeakPolarHBondContact O-CA 3.15Å; I97-T99 HydrophobicContact CG2-CG2 4.03Å; I97-L192 HydrophobicContact CD1-CB 4.2Å; I97-L192 HydrophobicContact CD1-CD2 4.11Å; I97-L192 HydrophobicContact CG2-CD2 4.44Å; I97-L193 HydrophobicContact CD1-CB 4.29Å; I97-L193 WeakPolarHBondContact CD1-O 3.41Å
98	Y	30.2	Very low	24.8	Very low	60 Å²	60	100.1 Å²	100.1	24%	0.235	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	127	164.8	-77.8	-83	0	0	0	109.4	F82 F85	F82-Y98 WeakPolarHBondContact CA-O 3.47Å; F85-Y98 AromaticContact CE1-CD2 3.83Å; F85-Y98 HydrophobicContact CE1-CD2 3.83Å; F85-Y98 AromaticContact CE1-CE2 3.67Å; F85-Y98 HydrophobicContact CE1-CE2 3.67Å; F85-Y98 AromaticContact CZ-CE2 3.9Å; F85-Y98 HydrophobicContact CZ-CE2 3.9Å
99	T	28.1	Very low	24.4	Very low	71 Å²	71	101.4 Å²	101.4	44%	0.436	56%	0.557	S	S	.	*			trans	-117.3	135.3	165.9	94	0	0	0	0	106.7	F82 I97 R101	F82-T99 HydrophobicContact CD1-CG2 3.81Å; F82-T99 HydrophobicContact CE1-CG2 3.54Å; I97-T99 HydrophobicContact CG2-CG2 4.03Å; T99-R101 PolarHBondContact O-N 2.85Å
100	T	25.1	Very low	24	Very low	59 Å²	59	111.3 Å²	111.3	36%	0.362	59%	0.587	S	S	.	*			trans	-78.2	12.2	179.1	37.1	0	0	0	0	113.8	Y280	T100-Y280 HydrophobicContact CG2-CE1 3.78Å; T100-Y280 HydrophobicContact CG2-CE2 3.76Å; T100-Y280 VanDerWaalsContact CG2-OH 3.23Å; T100-Y280 WeakPolarHBondContact CG2-OH 3.1Å
101	R	24.5	Very low	23.7	Very low	120 Å²	120	113.9 Å²	113.9	45%	0.453	59%	0.585	S	S	.	*			trans	-131.1	115.2	-174.1	-111.7	-175.8	155.2	172.9	-11.3	114.6	T99 G104	T99-R101 PolarHBondContact O-N 2.85Å; R101-G104 PolarHBondContact NH2-O 3.42Å
102	L	21.7	Very low	23.4	Very low	155 Å²	155	115.5 Å²	115.5	81%	0.812	59%	0.585	S	S	*	*			trans	-46.5	131	132	-96.1	96.8	0	0	0	109.2	G104	L102-G104 PolarHBondContact O-N 2.73Å
103	L	20.8	Very low	23.2	Very low	168 Å²	168	116.9 Å²	116.9	88%	0.88	59%	0.592	S	S	*	*	S	Bend	trans	-54.1	85.6	164.5	-76.7	149.2	0	0	0	109.9
104	G	19	Very low	22.7	Very low	35 Å²	35	117 Å²	117	36%	0.361	60%	0.604	S	S	.	*			trans	-129.1	110.3	-179	0	0	0	0	0	109.4	R101 L102	R101-G104 PolarHBondContact NH2-O 3.42Å; L102-G104 PolarHBondContact O-N 2.73Å
105	T	18.6	Very low	22.5	Very low	113 Å²	113	117.1 Å²	117.1	69%	0.693	62%	0.621	S	S	*	*			trans	77.5	102.2	163.6	58.8	0	0	0	0	118.4	A107	T105-A107 PolarHBondContact O-N 2.84Å; T105-A107 VanDerWaalsContact O-N 3.08Å
106	C	19.1	Very low	22.1	Very low	134 Å²	134	115.3 Å²	115.3	91%	0.905	63%	0.634	S	S	*	*			trans	-44.4	108.3	149.1	-64.4	0	0	0	0	109.5	T108	C106-T108 PolarHBondContact O-N 3.19Å
107	A	18.3	Very low	21.7	Very low	87 Å²	87	120.7 Å²	120.7	72%	0.719	66%	0.663	S	S	*	*			trans	-79.4	112.4	166.2	0	0	0	0	0	107.8	T105 Y109	T105-A107 PolarHBondContact O-N 2.84Å; T105-A107 VanDerWaalsContact O-N 3.08Å; A107-Y109 PolarHBondContact O-N 3.33Å
108	T	18.1	Very low	21.3	Very low	140 Å²	140	130.1 Å²	130.1	86%	0.859	70%	0.697	S	S	*	*			trans	-46.7	121.4	169.7	24.1	0	0	0	0	111.5	C106 R110	C106-T108 PolarHBondContact O-N 3.19Å; T108-R110 PolarHBondContact O-N 2.83Å
109	Y	19.6	Very low	21	Very low	173 Å²	173	137.1 Å²	137.1	68%	0.678	73%	0.729	S	S	*	*			trans	-31.5	118.9	164.2	-115.5	-102.8	0	0	0	112.5	A107 Y178	A107-Y109 PolarHBondContact O-N 3.33Å; Y109-Y178 VanDerWaalsContact CD2-OH 3.27Å; Y109-Y178 WeakPolarHBondContact CD2-OH 3.41Å; Y109-Y178 HydrophobicContact CE2-CE2 4.42Å; Y109-Y178 AromaticContact CE2-CZ 3.97Å; Y109-Y178 VanDerWaalsContact CE2-OH 3.23Å; Y109-Y178 WeakPolarHBondContact CE2-OH 3.49Å
110	R	19.5	Very low	20.8	Very low	233 Å²	233	141.4 Å²	141.4	88%	0.879	75%	0.749	S	S	*	*			trans	-166.4	141.9	154.8	-110	162.2	-167.3	-164.5	4.5	111.3	T108	T108-R110 PolarHBondContact O-N 2.83Å
111	L	20.6	Very low	20.7	Very low	157 Å²	157	150.1 Å²	150.1	82%	0.822	78%	0.775	S	S	*	*			trans	87.4	75.1	171.5	-57.6	148	0	0	0	115.6
112	F	20.2	Very low	20.6	Very low	194 Å²	194	149 Å²	149	85%	0.851	78%	0.784	S	S	*	*			trans	-72	125.1	136.3	-93.4	-82.1	0	0	0	107.5	D114	F112-D114 PolarHBondContact O-N 3.48Å
113	L	20	Very low	20.7	Very low	152 Å²	152	151.7 Å²	151.7	80%	0.796	78%	0.783	S	S	*	*			trans	-56.4	125.9	175.3	-82.4	151.4	0	0	0	110.2	A115	L113-A115 PolarHBondContact O-N 3.2Å
114	D	20.7	Very low	20.8	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	78%	0.775	S	S	*	*			trans	-66.5	84.4	177.2	-155.9	1.1	0	0	0	109.6	F112 G116	F112-D114 PolarHBondContact O-N 3.48Å; D114-G116 PolarHBondContact O-N 3.04Å
115	A	21.8	Very low	21.1	Very low	99 Å²	99	152.8 Å²	152.8	82%	0.818	79%	0.787	S	S	*	*			trans	-90	56.9	167.5	0	0	0	0	0	109.4	L113 D117	L113-A115 PolarHBondContact O-N 3.2Å; A115-D117 VanDerWaalsContact C-N 3.29Å; A115-D117 PolarHBondContact O-N 3.46Å
116	G	18.6	Very low	21.4	Very low	62 Å²	62	151 Å²	151	64%	0.639	78%	0.777	S	S	*	*			trans	-70	87.1	163.6	0	0	0	0	0	109.6	D114	D114-G116 PolarHBondContact O-N 3.04Å
117	D	21.3	Very low	21.6	Very low	138 Å²	138	150.4 Å²	150.4	74%	0.738	76%	0.763	S	S	*	*	S	Bend	trans	-175.5	128.2	135.6	-113.1	-14.3	0	0	0	111.3	A115	A115-D117 VanDerWaalsContact C-N 3.29Å; A115-D117 PolarHBondContact O-N 3.46Å
118	R	22.2	Very low	21.9	Very low	223 Å²	223	150 Å²	150	84%	0.842	75%	0.754	S	S	*	*			trans	88	15.7	156	-58.7	-173.6	-174	-160.8	2.1	123.7
119	F	23.9	Very low	22.2	Very low	206 Å²	206	145.9 Å²	145.9	90%	0.904	74%	0.735	S	S	*	*			trans	-110.7	101.6	166.7	-71.8	-76.8	0	0	0	112.8	R121	F119-R121 PolarHBondContact O-N 3.29Å
120	D	23.8	Very low	22.4	Very low	162 Å²	162	144.2 Å²	144.2	87%	0.866	73%	0.731	S	S	*	*			trans	-43.7	121.9	168.5	-91.8	-40.8	0	0	0	112
121	R	22.5	Very low	22.6	Very low	241 Å²	241	137.1 Å²	137.1	91%	0.909	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	123.2	158	-60.2	174.8	-178.1	-167.4	-0.3	107.2	F119	F119-R121 PolarHBondContact O-N 3.29Å
122	P	22.4	Very low	22.8	Very low	98 Å²	98	137.4 Å²	137.4	64%	0.636	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn		-153.5	34	61.6	36.5	-11.9	0	0	0	115.3	I124	P122-I124 PolarHBondContact O-N 3.47Å
123	R	22.9	Very low	23.1	Very low	210 Å²	210	133.8 Å²	133.8	79%	0.792	69%	0.694	S	S	*	*	H	α-helix	trans	-79.4	-10.9	-172.7	-81.1	-173.1	177.2	176.1	0.9	117	L127	R123-L127 PolarHBondContact O-N 3.21Å
124	I	24.4	Very low	23.4	Very low	137 Å²	137	131.7 Å²	131.7	70%	0.703	68%	0.681	S	S	*	*	H	α-helix	trans	-78.8	-31.9	-176.8	-62.3	177.7	0	0	0	112.1	P122 T126 L127 C128	P122-I124 PolarHBondContact O-N 3.47Å; I124-T126 PolarHBondContact O-N 2.81Å; I124-L127 PolarHBondContact O-N 2.91Å; I124-C128 PolarHBondContact O-N 2.82Å; I124-C128 VanDerWaalsContact O-N 3.14Å
125	S	24.7	Very low	23.6	Very low	90 Å²	90	128.3 Å²	128.3	63%	0.629	66%	0.662	S	S	*	*	H	α-helix	trans	-64.8	-31.2	175.2	70.2	0	0	0	0	111.8	A129	S125-A129 VanDerWaalsContact O-CB 3.29Å; S125-A129 WeakPolarHBondContact O-CB 3.5Å; S125-A129 PolarHBondContact O-N 3.15Å
126	T	25.1	Very low	23.9	Very low	76 Å²	76	128.2 Å²	128.2	47%	0.466	65%	0.647	S	S	.	*	H	α-helix	trans	-75.6	-32	177	-14.8	0	0	0	0	112.5	I124 K130	I124-T126 PolarHBondContact O-N 2.81Å; T126-K130 WeakPolarHBondContact O-CB 3.41Å; T126-K130 PolarHBondContact O-N 3.3Å
127	L	24	Very low	24.1	Very low	120 Å²	120	127.5 Å²	127.5	63%	0.628	64%	0.635	S	S	*	*	H	α-helix	trans	-69.9	-42.7	176.3	-127.1	106.8	0	0	0	111.2	R123 I124 K130 L131	R123-L127 PolarHBondContact O-N 3.21Å; I124-L127 PolarHBondContact O-N 2.91Å; L127-K130 PolarHBondContact O-N 3.21Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.59Å
128	C	24.7	Very low	24.4	Very low	78 Å²	78	126.7 Å²	126.7	53%	0.527	63%	0.627	S	S	.	*	H	α-helix	trans	-69.5	-36.4	176.3	-67.5	0	0	0	0	112.5	I124 L131 K132	I124-C128 PolarHBondContact O-N 2.82Å; I124-C128 VanDerWaalsContact O-N 3.14Å; C128-L131 PolarHBondContact O-N 3.47Å; C128-K132 PolarHBondContact O-N 2.88Å
129	A	23.3	Very low	24.6	Very low	55 Å²	55	120.9 Å²	120.9	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-66.5	-40.7	173.7	0	0	0	0	0	111.8	S125 L131 K132 D133	S125-A129 VanDerWaalsContact O-CB 3.29Å; S125-A129 WeakPolarHBondContact O-CB 3.5Å; S125-A129 PolarHBondContact O-N 3.15Å; A129-L131 VanDerWaalsContact C-N 3.32Å; A129-L131 PolarHBondContact O-N 3.25Å; A129-K132 PolarHBondContact O-N 3.16Å; A129-D133 PolarHBondContact O-N 2.72Å
130	K	23.9	Very low	24.6	Very low	138 Å²	138	119.8 Å²	119.8	60%	0.6	60%	0.602	S	S	*	*	H	α-helix	trans	-66.4	-30.7	174	-83.4	-170.9	172.4	-172.9	0	113.3	T126 L127 D133 Q134	T126-K130 WeakPolarHBondContact O-CB 3.41Å; T126-K130 PolarHBondContact O-N 3.3Å; L127-K130 PolarHBondContact O-N 3.21Å; K130-D133 PolarHBondContact O-N 3.17Å; K130-Q134 WeakPolarHBondContact O-CB 3.21Å; K130-Q134 PolarHBondContact O-N 2.87Å
131	L	23.3	Very low	24.7	Very low	83 Å²	83	118.7 Å²	118.7	44%	0.435	59%	0.591	S	S	.	*	H	α-helix	trans	-70	-34	176.1	-84.2	160.7	0	0	0	112.8	L127 C128 A129 D133 N135	L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.59Å; C128-L131 PolarHBondContact O-N 3.47Å; A129-L131 VanDerWaalsContact C-N 3.32Å; A129-L131 PolarHBondContact O-N 3.25Å; L131-D133 VanDerWaalsContact C-N 3.32Å; L131-N135 PolarHBondContact O-N 2.85Å
132	K	25.5	Very low	24.8	Very low	164 Å²	164	114.9 Å²	114.9	71%	0.713	58%	0.577	S	S	*	*	H	α-helix	trans	-63.8	-40.2	171.8	-105.2	-174.1	176.5	-176.4	0	111.7	C128 A129	C128-K132 PolarHBondContact O-N 2.88Å; A129-K132 PolarHBondContact O-N 3.16Å
133	D	26.8	Very low	25	Very low	118 Å²	118	118.5 Å²	118.5	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-79.3	-36.3	-179.3	-76.1	-19.5	0	0	0	112.7	A129 K130 L131 A137	A129-D133 PolarHBondContact O-N 2.72Å; K130-D133 PolarHBondContact O-N 3.17Å; L131-D133 VanDerWaalsContact C-N 3.32Å; D133-A137 WeakPolarHBondContact O-CA 3.26Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.84Å
134	Q	25.8	Very low	25.1	Very low	108 Å²	108	117.3 Å²	117.3	51%	0.505	58%	0.58	S	S	.	*	H	α-helix	trans	-73.7	-40.8	-179.1	-77.9	-172.6	-42.1	0	0	113.4	K130 I136 E138	K130-Q134 WeakPolarHBondContact O-CB 3.21Å; K130-Q134 PolarHBondContact O-N 2.87Å; Q134-I136 VanDerWaalsContact C-N 3.32Å; Q134-I136 PolarHBondContact O-N 2.87Å; Q134-E138 WeakPolarHBondContact O-CB 3.18Å; Q134-E138 PolarHBondContact O-N 2.83Å
135	N	25.7	Very low	25.1	Very low	89 Å²	89	120.3 Å²	120.3	48%	0.476	58%	0.584	S	S	.	*	H	α-helix	trans	-73.5	-22.8	-179.2	-82.9	-9.7	0	0	0	113.5	L131 L139	L131-N135 PolarHBondContact O-N 2.85Å; N135-L139 WeakPolarHBondContact O-CB 3.19Å; N135-L139 VanDerWaalsContact O-CD1 3.23Å; N135-L139 WeakPolarHBondContact O-CD1 3.49Å
136	I	26.3	Very low	25.2	Very low	97 Å²	97	123.6 Å²	123.6	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-94.1	-37.9	174.4	-59.9	179.1	0	0	0	110.8	Q134 R140	Q134-I136 VanDerWaalsContact C-N 3.32Å; Q134-I136 PolarHBondContact O-N 2.87Å; I136-R140 VanDerWaalsContact O-CB 3.27Å; I136-R140 WeakPolarHBondContact O-CB 3.43Å; I136-R140 WeakPolarHBondContact O-CG 3.35Å; I136-R140 PolarHBondContact O-N 2.83Å
137	A	24.7	Very low	25.3	Very low	46 Å²	46	122.7 Å²	122.7	38%	0.38	60%	0.6	S	S	.	*	H	α-helix	trans	-77	-41.2	-177	0	0	0	0	0	113.2	D133 R140 Q141	D133-A137 WeakPolarHBondContact O-CA 3.26Å; D133-A137 WeakPolarHBondContact O-CB 3.47Å; D133-A137 PolarHBondContact O-N 2.84Å; A137-R140 PolarHBondContact O-N 2.77Å; A137-Q141 VanDerWaalsContact O-CB 3.23Å; A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 WeakPolarHBondContact O-CG 3.21Å; A137-Q141 PolarHBondContact O-N 2.87Å
138	E	26.9	Very low	25.8	Very low	121 Å²	121	125.3 Å²	125.3	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-73.1	-36.3	178.8	-76.6	-166.1	164.7	0	0	112.4	Q134 R142	Q134-E138 WeakPolarHBondContact O-CB 3.18Å; Q134-E138 PolarHBondContact O-N 2.83Å; E138-R142 PolarHBondContact O-N 2.84Å
139	L	25.8	Very low	26.2	Very low	102 Å²	102	127.3 Å²	127.3	53%	0.534	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-45	172.9	-98.9	145.7	0	0	0	110.9	N135 F143	N135-L139 WeakPolarHBondContact O-CB 3.19Å; N135-L139 VanDerWaalsContact O-CD1 3.23Å; N135-L139 WeakPolarHBondContact O-CD1 3.49Å; L139-F143 HydrophobicContact CD2-CE2 4.46Å; L139-F143 WeakPolarHBondContact O-CD2 3.41Å
140	R	24.7	Very low	26.7	Very low	182 Å²	182	129.3 Å²	129.3	69%	0.687	63%	0.629	S	S	*	*	H	α-helix	trans	-75.9	-33.4	179.6	-73.3	-174.5	177.7	-178.5	0.3	114.2	I136 A137 R142	I136-R140 VanDerWaalsContact O-CB 3.27Å; I136-R140 WeakPolarHBondContact O-CB 3.43Å; I136-R140 WeakPolarHBondContact O-CG 3.35Å; I136-R140 PolarHBondContact O-N 2.83Å; A137-R140 PolarHBondContact O-N 2.77Å; R140-R142 VanDerWaalsContact C-N 3.35Å; R140-R142 PolarHBondContact O-N 2.82Å
141	Q	25.5	Very low	27.4	Very low	139 Å²	139	129.4 Å²	129.4	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-70.5	-30	-180	-83.9	-172.9	-18.5	0	0	112.7	A137 Y144	A137-Q141 VanDerWaalsContact O-CB 3.23Å; A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 WeakPolarHBondContact O-CG 3.21Å; A137-Q141 PolarHBondContact O-N 2.87Å; Q141-Y144 PolarHBondContact O-N 3.15Å
142	R	24.5	Very low	28	Very low	161 Å²	161	133.2 Å²	133.2	61%	0.608	65%	0.651	S	S	*	*	H	α-helix	trans	-75.1	-26.8	177.2	-89.7	-173.2	177.6	144.7	5.9	114.4	E138 R140 Y144 Y145	E138-R142 PolarHBondContact O-N 2.84Å; R140-R142 VanDerWaalsContact C-N 3.35Å; R140-R142 PolarHBondContact O-N 2.82Å; R142-Y144 PolarHBondContact O-N 2.82Å; R142-Y144 VanDerWaalsContact O-N 3.15Å; R142-Y145 PolarHBondContact O-N 2.79Å
143	F	25.5	Very low	28.8	Very low	174 Å²	174	130.9 Å²	130.9	76%	0.763	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-14.8	169.4	-78.4	-70.5	0	0	0	113.3	L139	L139-F143 HydrophobicContact CD2-CE2 4.46Å; L139-F143 WeakPolarHBondContact O-CD2 3.41Å
144	Y	25.3	Very low	29.4	Very low	185 Å²	185	129.5 Å²	129.5	73%	0.725	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	7.4	178.3	-84.9	-78.5	0	0	0	114.9	Q141 R142 N146	Q141-Y144 PolarHBondContact O-N 3.15Å; R142-Y144 PolarHBondContact O-N 2.82Å; R142-Y144 VanDerWaalsContact O-N 3.15Å; Y144-N146 PolarHBondContact O-N 2.67Å
145	Y	24.8	Very low	30.1	Very low	201 Å²	201	127.9 Å²	127.9	79%	0.788	64%	0.639	S	S	*	*			trans	-74.7	79.3	165.2	-98.7	-87.1	0	0	0	109.5	R142 G147	R142-Y145 PolarHBondContact O-N 2.79Å; Y145-G147 PolarHBondContact O-N 2.88Å
146	N	26.8	Very low	30.9	Very low	159 Å²	159	127 Å²	127	85%	0.85	63%	0.634	S	S	*	*			trans	-51.6	100.7	160.4	-83	-23.5	0	0	0	108.8	Y144	Y144-N146 PolarHBondContact O-N 2.67Å
147	G	28.3	Very low	31.9	Very low	57 Å²	57	125.4 Å²	125.4	59%	0.588	63%	0.628	S	S	*	*			trans	178.8	66.4	179.6	0	0	0	0	0	114.5	Y145 D149	Y145-G147 PolarHBondContact O-N 2.88Å; G147-D149 VanDerWaalsContact C-N 3.3Å; G147-D149 PolarHBondContact O-N 2.74Å
148	N	33.1	Very low	33.1	Very low	174 Å²	174	126.5 Å²	126.5	93%	0.93	63%	0.63	S	S	*	*			trans	52.6	15.8	142.9	-73.5	-4.1	0	0	0	121.4
149	D	33.3	Very low	34	Very low	121 Å²	121	123.5 Å²	123.5	65%	0.647	62%	0.618	S	S	*	*			trans	-93.5	127.9	166.2	-106.8	-25.5	0	0	0	110.2	G147 D151 L154	G147-D149 VanDerWaalsContact C-N 3.3Å; G147-D149 PolarHBondContact O-N 2.74Å; D149-D151 PolarHBondContact O-N 3.08Å; D149-L154 HydrophobicContact CB-CD1 4.33Å
150	P	34.5	Very low	35.3	Very low	97 Å²	97	119.5 Å²	119.5	63%	0.63	60%	0.597	S	S	*	*			trans	-58.1	124	-174.8	22.5	-30.3	0	0	0	110.8	E152 D153	P150-E152 PolarHBondContact O-N 3.22Å; P150-D153 PolarHBondContact O-N 2.94Å
151	D	37.9	Very low	36.8	Very low	139 Å²	139	117.5 Å²	117.5	74%	0.743	59%	0.589	S	S	*	*	H	α-helix	trans	-53.4	-13.7	-164.1	-82.6	-51.9	0	0	0	117.4	D149	D149-D151 PolarHBondContact O-N 3.08Å
152	E	37.2	Very low	38	Very low	164 Å²	164	113.8 Å²	113.8	77%	0.766	58%	0.579	S	S	*	*	H	α-helix	trans	-73	-40	-178.2	-73.1	-173.5	162.9	0	0	112.3	P150 L154 S155 I156	P150-E152 PolarHBondContact O-N 3.22Å; E152-L154 PolarHBondContact O-N 3.12Å; E152-S155 PolarHBondContact O-OG 3.29Å; E152-I156 PolarHBondContact O-N 3.16Å
153	D	40.6	Very low	39.3	Very low	114 Å²	114	106.5 Å²	106.5	61%	0.61	55%	0.552	S	S	*	*	H	α-helix	trans	-71.2	-34.2	-177.3	-98.2	-21.8	0	0	0	112.4	P150 S155 I156 V157	P150-D153 PolarHBondContact O-N 2.94Å; D153-S155 PolarHBondContact O-N 2.61Å; D153-I156 PolarHBondContact O-N 3.21Å; D153-V157 VanDerWaalsContact O-CB 3.29Å; D153-V157 WeakPolarHBondContact O-CB 3.46Å; D153-V157 WeakPolarHBondContact O-CG2 2.77Å; D153-V157 PolarHBondContact O-N 3.37Å
154	L	40.3	Very low	41	Very low	90 Å²	90	100.6 Å²	100.6	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-40.7	-179.9	-93.6	150.5	0	0	0	112.1	D149 E152 V157 V158	D149-L154 HydrophobicContact CB-CD1 4.33Å; E152-L154 PolarHBondContact O-N 3.12Å; L154-V157 PolarHBondContact O-N 2.73Å; L154-V158 WeakPolarHBondContact O-CB 3.1Å; L154-V158 WeakPolarHBondContact O-CG2 3.33Å; L154-V158 PolarHBondContact O-N 2.92Å
155	S	39.2	Very low	42.6	Very low	73 Å²	73	94.8 Å²	94.8	51%	0.51	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-43.3	179.5	73	0	0	0	0	111.7	E152 D153 V158 L159	E152-S155 PolarHBondContact O-OG 3.29Å; D153-S155 PolarHBondContact O-N 2.61Å; S155-V158 PolarHBondContact O-N 3.43Å; S155-L159 WeakPolarHBondContact O-CB 3.32Å; S155-L159 PolarHBondContact O-N 2.94Å
156	I	42.9	Very low	44.1	Very low	71 Å²	71	87 Å²	87	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-65.2	-47.1	176.4	-69.7	171.5	0	0	0	109.7	E152 D153 V158 L159 N160	E152-I156 PolarHBondContact O-N 3.16Å; D153-I156 PolarHBondContact O-N 3.21Å; I156-V158 VanDerWaalsContact C-N 3.33Å; I156-V158 PolarHBondContact O-N 3.03Å; I156-L159 PolarHBondContact O-N 2.86Å; I156-N160 VanDerWaalsContact CG2-ND2 3.31Å; I156-N160 WeakPolarHBondContact CG2-ND2 3.13Å; I156-N160 WeakPolarHBondContact O-CB 3.35Å; I156-N160 PolarHBondContact O-N 3.1Å; I156-N160 PolarHBondContact O-ND2 3.05Å
157	V	48.5	Very low	45.7	Very low	63 Å²	63	79.4 Å²	79.4	38%	0.382	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-40	178.4	170.6	0	0	0	0	111.9	D153 L154 R161	D153-V157 VanDerWaalsContact O-CB 3.29Å; D153-V157 WeakPolarHBondContact O-CB 3.46Å; D153-V157 WeakPolarHBondContact O-CG2 2.77Å; D153-V157 PolarHBondContact O-N 3.37Å; L154-V157 PolarHBondContact O-N 2.73Å; V157-R161 WeakPolarHBondContact O-CG 3.27Å; V157-R161 PolarHBondContact O-N 3Å
158	V	48.9	Very low	47.4	Very low	70 Å²	70	79.5 Å²	79.5	42%	0.424	43%	0.429	S	S	.	.	H	α-helix	trans	-68.7	-51.2	177.8	171.5	0	0	0	0	110.9	L154 S155 I156 N160 R161 S162	L154-V158 WeakPolarHBondContact O-CB 3.1Å; L154-V158 WeakPolarHBondContact O-CG2 3.33Å; L154-V158 PolarHBondContact O-N 2.92Å; S155-V158 PolarHBondContact O-N 3.43Å; I156-V158 VanDerWaalsContact C-N 3.33Å; I156-V158 PolarHBondContact O-N 3.03Å; V158-N160 PolarHBondContact O-N 3.17Å; V158-R161 PolarHBondContact O-N 2.78Å; V158-R161 VanDerWaalsContact O-N 3.14Å; V158-S162 PolarHBondContact O-N 3.21Å; V158-S162 PolarHBondContact O-OG 3.06Å
159	L	46.9	Very low	48.7	Very low	58 Å²	58	77.8 Å²	77.8	30%	0.304	41%	0.409	S	S	.	.	H	α-helix	trans	-56.2	-43.5	177.5	-174	78.2	0	0	0	110.9	F23 S155 I156 S162 M163	F23-L159 HydrophobicContact CD1-CD2 4.31Å; F23-L159 HydrophobicContact CE1-CD2 3.67Å; S155-L159 WeakPolarHBondContact O-CB 3.32Å; S155-L159 PolarHBondContact O-N 2.94Å; I156-L159 PolarHBondContact O-N 2.86Å; L159-S162 WeakPolarHBondContact O-CB 3.44Å; L159-S162 PolarHBondContact O-N 2.87Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 2.86Å
160	N	52.5	Low	49.9	Very low	18 Å²	18	72.2 Å²	72.2	10%	0.096	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-44.4	177.7	-82.9	-13.2	0	0	0	113.1	I156 V158 M163 Q164 R245	I156-N160 VanDerWaalsContact CG2-ND2 3.31Å; I156-N160 WeakPolarHBondContact CG2-ND2 3.13Å; I156-N160 WeakPolarHBondContact O-CB 3.35Å; I156-N160 PolarHBondContact O-N 3.1Å; I156-N160 PolarHBondContact O-ND2 3.05Å; V158-N160 PolarHBondContact O-N 3.17Å; N160-M163 PolarHBondContact O-N 2.88Å; N160-Q164 PolarHBondContact O-N 3.34Å; N160-Q164 VanDerWaalsContact O-N 3.08Å; N160-R245 VanDerWaalsContact CB-NE 3.35Å; N160-R245 PolarHBondContact ND2-NE 2.7Å; N160-R245 WeakPolarHBondContact OD1-CD 3.46Å; N160-R245 WeakPolarHBondContact OD1-CG 3.48Å; N160-R245 PolarHBondContact OD1-NE 3.35Å
161	R	55.3	Low	51.2	Low	139 Å²	139	68.4 Å²	68.4	53%	0.525	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-41.6	173.7	-78.9	-177.5	-177.1	177.7	3.3	111.3	V157 V158 Q164 C165	V157-R161 WeakPolarHBondContact O-CG 3.27Å; V157-R161 PolarHBondContact O-N 3Å; V158-R161 PolarHBondContact O-N 2.78Å; V158-R161 VanDerWaalsContact O-N 3.14Å; R161-Q164 PolarHBondContact O-N 3.38Å; R161-C165 PolarHBondContact O-N 3.2Å; R161-C165 PolarHBondContact O-SG 3.13Å; R161-C165 VanDerWaalsContact O-SG 3.32Å
162	S	51.7	Low	52.5	Low	62 Å²	62	65.6 Å²	65.6	43%	0.434	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-44	177.4	-62.4	0	0	0	0	112	V158 L159 Q164 C165 L166	V158-S162 PolarHBondContact O-N 3.21Å; V158-S162 PolarHBondContact O-OG 3.06Å; L159-S162 WeakPolarHBondContact O-CB 3.44Å; L159-S162 PolarHBondContact O-N 2.87Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; S162-Q164 PolarHBondContact O-N 3.01Å; S162-C165 PolarHBondContact O-N 2.86Å; S162-L166 WeakPolarHBondContact O-CG 3.32Å; S162-L166 PolarHBondContact O-N 3.12Å
163	M	50.9	Low	53.3	Low	8 Å²	8	58.8 Å²	58.8	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.8	-78.9	-170.2	70.3	0	0	112.1	R26 L159 N160 L166 A167 I189 I241	R26-M163 VanDerWaalsContact CZ-SD 3.51Å; R26-M163 PolarHBondContact NH1-SD 3.05Å; R26-M163 PolarHBondContact NH2-SD 2.8Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 2.86Å; N160-M163 PolarHBondContact O-N 2.88Å; M163-L166 PolarHBondContact O-N 2.87Å; M163-A167 PolarHBondContact O-N 3.06Å; M163-I189 HydrophobicContact CE-CB 4.11Å; M163-I189 WeakPolarHBondContact CE-O 3.3Å; M163-I241 HydrophobicContact CB-CD1 4.22Å; M163-I241 HydrophobicContact CB-CG2 4.08Å; M163-I241 HydrophobicContact CE-CD1 4.19Å; M163-I241 HydrophobicContact CE-CG1 4.07Å; M163-I241 HydrophobicContact CE-CG2 4.06Å; M163-I241 VanDerWaalsContact O-CD1 3.24Å; M163-I241 WeakPolarHBondContact O-CD1 3.48Å
164	Q	62	Low	53.8	Low	49 Å²	49	57.6 Å²	57.6	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-40	-180	-158.3	143.4	24.7	0	0	111.6	N160 R161 S162 A167 E168 D242	N160-Q164 PolarHBondContact O-N 3.34Å; N160-Q164 VanDerWaalsContact O-N 3.08Å; R161-Q164 PolarHBondContact O-N 3.38Å; S162-Q164 VanDerWaalsContact C-N 3.34Å; S162-Q164 PolarHBondContact O-N 3.01Å; Q164-A167 PolarHBondContact O-N 3.15Å; Q164-E168 WeakPolarHBondContact O-CG 3.06Å; Q164-E168 PolarHBondContact O-N 3.19Å; Q164-D242 PolarHBondContact NE2-OD1 3.2Å
165	C	59.3	Low	54	Low	63 Å²	63	61.9 Å²	61.9	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-40.6	171.6	-69.7	0	0	0	0	112.3	R161 S162 E168 W169	R161-C165 PolarHBondContact O-N 3.2Å; R161-C165 PolarHBondContact O-SG 3.13Å; R161-C165 VanDerWaalsContact O-SG 3.32Å; S162-C165 PolarHBondContact O-N 2.86Å; C165-E168 PolarHBondContact O-N 3.03Å; C165-W169 WeakPolarHBondContact O-CB 3.31Å; C165-W169 VanDerWaalsContact O-CG 3.28Å; C165-W169 PolarHBondContact O-N 3.26Å
166	L	56.9	Low	54.1	Low	38 Å²	38	64.9 Å²	64.9	20%	0.199	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.7	-74.8	170.4	0	0	0	111.6	S162 M163 W169 V170 Q188 I189	S162-L166 WeakPolarHBondContact O-CG 3.32Å; S162-L166 PolarHBondContact O-N 3.12Å; M163-L166 PolarHBondContact O-N 2.87Å; L166-W169 HydrophobicContact CD2-CE3 4.34Å; L166-W169 WeakPolarHBondContact O-CB 3.29Å; L166-W169 PolarHBondContact O-N 3.44Å; L166-V170 VanDerWaalsContact O-CG2 3.32Å; L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 3.17Å; L166-Q188 HydrophobicContact CD1-CB 4.21Å; L166-I189 HydrophobicContact CB-CG2 3.95Å; L166-I189 HydrophobicContact CD1-CG2 4.5Å
167	A	58.7	Low	53.9	Low	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-48.5	172.6	0	0	0	0	0	112.4	M163 Q164 W169 V170 A171 V237 I241	M163-A167 PolarHBondContact O-N 3.06Å; Q164-A167 PolarHBondContact O-N 3.15Å; A167-W169 PolarHBondContact O-N 3.5Å; A167-V170 PolarHBondContact O-N 3.02Å; A167-A171 VanDerWaalsContact O-CB 3.29Å; A167-A171 WeakPolarHBondContact O-CB 3.13Å; A167-A171 PolarHBondContact O-N 2.52Å; A167-V237 HydrophobicContact CB-CG1 3.98Å; A167-V237 HydrophobicContact CB-CG2 4.15Å; A167-I241 HydrophobicContact CB-CD1 3.32Å; A167-I241 HydrophobicContact CB-CG1 4.43Å
168	E	63.6	Low	53.3	Low	59 Å²	59	65.2 Å²	65.2	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-35.8	176.2	-74.2	-176.4	159.7	0	0	111.1	Q164 C165 A172 R333	Q164-E168 WeakPolarHBondContact O-CG 3.06Å; Q164-E168 PolarHBondContact O-N 3.19Å; C165-E168 PolarHBondContact O-N 3.03Å; E168-A172 VanDerWaalsContact O-CB 3.23Å; E168-A172 WeakPolarHBondContact O-CB 3.12Å; E168-A172 PolarHBondContact O-N 2.94Å; E168-R333 IonicContact OE1-CZ 3.17Å; E168-R333 IonicContact OE1-NH1 3.43Å; E168-R333 PolarHBondContact OE1-NH1 2.98Å; E168-R333 IonicContact OE1-NH2 3.82Å; E168-R333 PolarHBondContact OE1-NH2 3.35Å
169	W	60.5	Low	53.1	Low	137 Å²	137	64.5 Å²	64.5	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-72.4	-40.9	175.7	-76.8	7.4	0	0	0	114	C165 L166 A167 A171 A172 S173	C165-W169 WeakPolarHBondContact O-CB 3.31Å; C165-W169 VanDerWaalsContact O-CG 3.28Å; C165-W169 PolarHBondContact O-N 3.26Å; L166-W169 HydrophobicContact CD2-CE3 4.34Å; L166-W169 WeakPolarHBondContact O-CB 3.29Å; L166-W169 PolarHBondContact O-N 3.44Å; A167-W169 PolarHBondContact O-N 3.5Å; W169-A171 VanDerWaalsContact C-N 3.27Å; W169-A172 CarbonylContact O-C 3.57Å; W169-A172 PolarHBondContact O-N 3Å; W169-S173 PolarHBondContact O-N 3.44Å; W169-S173 PolarHBondContact O-OG 3.4Å
170	V	58.7	Low	52.6	Low	5 Å²	5	68.6 Å²	68.6	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-42.3	172.5	177.1	0	0	0	0	109.1	L166 A167 A172 S173 V182 R185 V328	L166-V170 VanDerWaalsContact O-CG2 3.32Å; L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 3.17Å; A167-V170 PolarHBondContact O-N 3.02Å; V170-A172 PolarHBondContact O-N 3.38Å; V170-S173 WeakPolarHBondContact O-CB 3.5Å; V170-S173 PolarHBondContact O-N 3.26Å; V170-S173 VanDerWaalsContact O-N 3.08Å; V170-S173 PolarHBondContact O-OG 2.99Å; V170-V182 HydrophobicContact CG1-CG1 4.13Å; V170-R185 HydrophobicContact CG2-CB 3.51Å; V170-R185 HydrophobicContact CG2-CG 4.16Å; V170-V328 CarbonylContact C-O 3.52Å; V170-V328 HydrophobicContact CG1-CB 4.18Å; V170-V328 WeakPolarHBondContact CG1-O 3.42Å
171	A	62.6	Low	52.2	Low	16 Å²	16	71 Å²	71	13%	0.132	36%	0.36	C	S	.	.	H	α-helix	trans	-62.5	-40.6	176.3	0	0	0	0	0	113	A167 W169 S173 V237 V328 T331	A167-A171 VanDerWaalsContact O-CB 3.29Å; A167-A171 WeakPolarHBondContact O-CB 3.13Å; A167-A171 PolarHBondContact O-N 2.52Å; W169-A171 VanDerWaalsContact C-N 3.27Å; A171-S173 VanDerWaalsContact C-N 3.25Å; A171-S173 PolarHBondContact O-N 3.03Å; A171-V237 HydrophobicContact CB-CG1 4.25Å; A171-V328 WeakPolarHBondContact CA-O 3.42Å; A171-V328 PolarHBondContact N-O 3.03Å; A171-T331 HydrophobicContact CB-CG2 3.55Å
172	A	64.9	Low	51.8	Low	81 Å²	81	64.5 Å²	64.5	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.9	176.3	0	0	0	0	0	113.7	E168 W169 V170	E168-A172 VanDerWaalsContact O-CB 3.23Å; E168-A172 WeakPolarHBondContact O-CB 3.12Å; E168-A172 PolarHBondContact O-N 2.94Å; W169-A172 CarbonylContact O-C 3.57Å; W169-A172 PolarHBondContact O-N 3Å; V170-A172 PolarHBondContact O-N 3.38Å
173	S	54.5	Low	51.4	Low	20 Å²	20	64.9 Å²	64.9	14%	0.14	33%	0.329	C	S	.	.	S	Bend	trans	-65.9	135.1	-179	-65.9	0	0	0	0	109.3	W169 V170 A171 S177	W169-S173 PolarHBondContact O-N 3.44Å; W169-S173 PolarHBondContact O-OG 3.4Å; V170-S173 WeakPolarHBondContact O-CB 3.5Å; V170-S173 PolarHBondContact O-N 3.26Å; V170-S173 VanDerWaalsContact O-N 3.08Å; V170-S173 PolarHBondContact O-OG 2.99Å; A171-S173 VanDerWaalsContact C-N 3.25Å; A171-S173 PolarHBondContact O-N 3.03Å; S173-S177 WeakPolarHBondContact CB-OG 3.44Å
174	P	50.5	Low	51.1	Low	89 Å²	89	68.2 Å²	68.2	58%	0.578	35%	0.347	S	S	*	.			trans	-52.4	149.3	178.5	-24.7	31.1	0	0	0	111	N176 S177	P174-N176 PolarHBondContact O-N 3.28Å; P174-S177 VanDerWaalsContact O-CB 3.22Å; P174-S177 WeakPolarHBondContact O-CB 3.27Å; P174-S177 PolarHBondContact O-N 3.03Å; P174-S177 PolarHBondContact O-OG 3.02Å
175	R	44.8	Very low	50.5	Low	181 Å²	181	68 Å²	68	68%	0.683	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-13.4	174.9	-66.7	-177.7	-178.9	-178.8	0.5	113.9	R269	R175-R269 PolarHBondContact O-NH1 3.16Å
176	N	41.2	Very low	50.1	Low	135 Å²	135	65 Å²	65	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	5.5	-178.1	-39.5	-0.9	0	0	0	111.6	P174	P174-N176 PolarHBondContact O-N 3.28Å
177	S	38.1	Very low	49.6	Very low	19 Å²	19	64.2 Å²	64.2	13%	0.133	32%	0.319	C	S	.	.	S	Bend	trans	-58.1	138.4	176.9	51.4	0	0	0	0	110.1	S173 P174 D179 R269	S173-S177 WeakPolarHBondContact CB-OG 3.44Å; P174-S177 VanDerWaalsContact O-CB 3.22Å; P174-S177 WeakPolarHBondContact O-CB 3.27Å; P174-S177 PolarHBondContact O-N 3.03Å; P174-S177 PolarHBondContact O-OG 3.02Å; S177-D179 PolarHBondContact O-N 2.71Å; S177-R269 PolarHBondContact O-NH2 3.4Å; S177-R269 PolarHBondContact OG-NH2 2.96Å
178	Y	37.1	Very low	49.1	Very low	122 Å²	122	67.1 Å²	67.1	48%	0.478	33%	0.333	S	S	.	.			trans	-54.5	130.2	-177.8	-69.2	-80.6	0	0	0	110.9	Y109 E180 D181 V182	Y109-Y178 VanDerWaalsContact CD2-OH 3.27Å; Y109-Y178 WeakPolarHBondContact CD2-OH 3.41Å; Y109-Y178 HydrophobicContact CE2-CE2 4.42Å; Y109-Y178 AromaticContact CE2-CZ 3.97Å; Y109-Y178 VanDerWaalsContact CE2-OH 3.23Å; Y109-Y178 WeakPolarHBondContact CE2-OH 3.49Å; Y178-E180 PolarHBondContact O-N 2.58Å; Y178-E180 VanDerWaalsContact O-N 3.14Å; Y178-D181 PolarHBondContact O-N 3.17Å; Y178-V182 PolarHBondContact O-N 2.99Å
179	D	43.8	Very low	48.5	Very low	55 Å²	55	64.4 Å²	64.4	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-28.5	-177	-65.9	-36.4	0	0	0	112.3	L80 S177 F183	L80-D179 HydrophobicContact CD1-CB 4.41Å; L80-D179 HydrophobicContact CD2-CB 4.47Å; S177-D179 PolarHBondContact O-N 2.71Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.92Å
180	E	36.7	Very low	47.8	Very low	144 Å²	144	58.9 Å²	58.9	67%	0.673	31%	0.306	S	S	*	.	H	α-helix	trans	-67.4	-43.8	177.4	-72.8	176.6	176.2	0	0	113.5	Y178 V182 F183 L184	Y178-E180 PolarHBondContact O-N 2.58Å; Y178-E180 VanDerWaalsContact O-N 3.14Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-F183 WeakPolarHBondContact O-CB 3.42Å; E180-F183 PolarHBondContact O-N 3.46Å; E180-L184 WeakPolarHBondContact O-CB 2.75Å; E180-L184 VanDerWaalsContact O-CG 3.28Å; E180-L184 WeakPolarHBondContact O-CG 3.33Å; E180-L184 PolarHBondContact O-N 2.74Å
181	D	43.6	Very low	47.3	Very low	70 Å²	70	59 Å²	59	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-39.9	179.6	-170.1	20	0	0	0	109.9	Y178 R185	Y178-D181 PolarHBondContact O-N 3.17Å; D181-R185 VanDerWaalsContact CG-NE 3.28Å; D181-R185 VanDerWaalsContact O-CB 3.32Å; D181-R185 WeakPolarHBondContact O-CB 3.22Å; D181-R185 WeakPolarHBondContact O-CD 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.11Å; D181-R185 PolarHBondContact O-N 3.19Å; D181-R185 IonicContact OD1-CZ 2.69Å; D181-R185 IonicContact OD1-NE 3.69Å; D181-R185 PolarHBondContact OD1-NE 2.88Å; D181-R185 IonicContact OD1-NH2 3.3Å; D181-R185 PolarHBondContact OD1-NH2 3.27Å; D181-R185 IonicContact OD2-CZ 2.75Å; D181-R185 VanDerWaalsContact OD2-CZ 3.27Å; D181-R185 IonicContact OD2-NE 3.8Å; D181-R185 PolarHBondContact OD2-NE 3.1Å; D181-R185 IonicContact OD2-NH2 3.38Å; D181-R185 PolarHBondContact OD2-NH2 3.07Å
182	V	46.8	Very low	46.3	Very low	2 Å²	2	58.6 Å²	58.6	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-45.6	171.5	176.2	0	0	0	0	110.7	L80 V170 Y178 E180 R185 L186	L80-V182 HydrophobicContact CD1-CG1 4.16Å; V170-V182 HydrophobicContact CG1-CG1 4.13Å; Y178-V182 PolarHBondContact O-N 2.99Å; E180-V182 VanDerWaalsContact C-N 3.34Å; V182-R185 CarbonylContact O-C 3.55Å; V182-R185 PolarHBondContact O-N 2.7Å; V182-L186 HydrophobicContact CG1-CD1 4.06Å; V182-L186 HydrophobicContact CG1-CG 4.19Å; V182-L186 WeakPolarHBondContact O-CB 3.47Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 2.81Å
183	F	44.8	Very low	44.9	Very low	70 Å²	70	57.5 Å²	57.5	31%	0.307	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-50	177.9	177.1	-105.8	0	0	0	112.9	F82 D179 E180 R185 L186 I187 L192	F82-F183 HydrophobicContact CD1-CE2 4.42Å; F82-F183 AromaticContact CE1-CD2 3.87Å; F82-F183 HydrophobicContact CE1-CD2 3.87Å; F82-F183 AromaticContact CE1-CE2 3.49Å; F82-F183 HydrophobicContact CE1-CE2 3.49Å; F82-F183 VanDerWaalsContact CE1-CE2 3.49Å; F82-F183 AromaticContact CE2-CD2 3.64Å; F82-F183 HydrophobicContact CE2-CD2 3.64Å; F82-F183 HydrophobicContact CE2-CE2 4.1Å; F82-F183 AromaticContact CZ-CD2 3.15Å; F82-F183 HydrophobicContact CZ-CD2 3.15Å; F82-F183 AromaticContact CZ-CE2 3.32Å; F82-F183 HydrophobicContact CZ-CE2 3.32Å; F82-F183 HydrophobicContact CZ-CG 4.37Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.92Å; E180-F183 WeakPolarHBondContact O-CB 3.42Å; E180-F183 PolarHBondContact O-N 3.46Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 3.31Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-L186 VanDerWaalsContact O-N 3.13Å; F183-I187 HydrophobicContact CD1-CD1 3.89Å; F183-I187 HydrophobicContact CE1-CD1 3.43Å; F183-I187 VanDerWaalsContact CE1-CD1 3.43Å; F183-I187 HydrophobicContact CE1-CG1 4.46Å; F183-I187 HydrophobicContact CE2-CD1 4.47Å; F183-I187 HydrophobicContact CZ-CD1 3.78Å; F183-I187 HydrophobicContact CZ-CG1 4.5Å; F183-I187 WeakPolarHBondContact O-CG1 3.34Å; F183-I187 PolarHBondContact O-N 2.98Å; F183-L192 HydrophobicContact CD2-CD1 3.37Å; F183-L192 HydrophobicContact CE2-CD1 3.5Å; F183-L192 VanDerWaalsContact CE2-CD1 3.5Å; F183-L192 HydrophobicContact CG-CD1 4.35Å
184	L	43.8	Very low	43.8	Very low	77 Å²	77	60.7 Å²	60.7	40%	0.403	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-39.5	177.2	-71.2	171.6	0	0	0	111.1	E180 I187 Q188	E180-L184 WeakPolarHBondContact O-CB 2.75Å; E180-L184 VanDerWaalsContact O-CG 3.28Å; E180-L184 WeakPolarHBondContact O-CG 3.33Å; E180-L184 PolarHBondContact O-N 2.74Å; L184-I187 WeakPolarHBondContact O-CB 3.15Å; L184-I187 PolarHBondContact O-N 2.83Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.21Å
185	R	49.3	Very low	42.9	Very low	45 Å²	45	59 Å²	59	17%	0.17	29%	0.291	C	S	.	.	H	α-helix	trans	-69	-36.2	175.3	-68.9	169.7	-169.6	-148.7	7.2	112.4	V170 D181 V182 F183 I187 Q188 I189	V170-R185 HydrophobicContact CG2-CB 3.51Å; V170-R185 HydrophobicContact CG2-CG 4.16Å; D181-R185 VanDerWaalsContact CG-NE 3.28Å; D181-R185 VanDerWaalsContact O-CB 3.32Å; D181-R185 WeakPolarHBondContact O-CB 3.22Å; D181-R185 WeakPolarHBondContact O-CD 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.11Å; D181-R185 PolarHBondContact O-N 3.19Å; D181-R185 IonicContact OD1-CZ 2.69Å; D181-R185 IonicContact OD1-NE 3.69Å; D181-R185 PolarHBondContact OD1-NE 2.88Å; D181-R185 IonicContact OD1-NH2 3.3Å; D181-R185 PolarHBondContact OD1-NH2 3.27Å; D181-R185 IonicContact OD2-CZ 2.75Å; D181-R185 VanDerWaalsContact OD2-CZ 3.27Å; D181-R185 IonicContact OD2-NE 3.8Å; D181-R185 PolarHBondContact OD2-NE 3.1Å; D181-R185 IonicContact OD2-NH2 3.38Å; D181-R185 PolarHBondContact OD2-NH2 3.07Å; V182-R185 CarbonylContact O-C 3.55Å; V182-R185 PolarHBondContact O-N 2.7Å; F183-R185 VanDerWaalsContact C-N 3.27Å; F183-R185 PolarHBondContact O-N 3.31Å; R185-I187 VanDerWaalsContact C-N 3.32Å; R185-Q188 WeakPolarHBondContact O-CB 3.36Å; R185-Q188 PolarHBondContact O-N 3.18Å; R185-I189 WeakPolarHBondContact O-CG1 3.16Å; R185-I189 PolarHBondContact O-N 3.17Å
186	L	51.5	Low	42	Very low	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-37.3	172.9	-71.4	177.1	0	0	0	111.5	F82 V182 F183 I189 G190 M191 L192 P267 V328	F82-L186 HydrophobicContact CD2-CD1 4.46Å; F82-L186 HydrophobicContact CE2-CD1 4.42Å; V182-L186 HydrophobicContact CG1-CD1 4.06Å; V182-L186 HydrophobicContact CG1-CG 4.19Å; V182-L186 WeakPolarHBondContact O-CB 3.47Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.29Å; V182-L186 PolarHBondContact O-N 2.81Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-L186 VanDerWaalsContact O-N 3.13Å; L186-I189 HydrophobicContact CD2-CD1 3.98Å; L186-I189 WeakPolarHBondContact O-CG1 3.43Å; L186-G190 PolarHBondContact O-N 3.47Å; L186-M191 HydrophobicContact CB-CB 4.44Å; L186-M191 HydrophobicContact CD2-CB 4.37Å; L186-M191 HydrophobicContact CD2-CE 4.36Å; L186-M191 HydrophobicContact CD2-SD 3.69Å; L186-M191 WeakPolarHBondContact O-CB 3.17Å; L186-M191 PolarHBondContact O-N 3.35Å; L186-L192 HydrophobicContact CB-CD1 3.55Å; L186-L192 HydrophobicContact CB-CG 3.92Å; L186-L192 HydrophobicContact CD1-CD1 4.13Å; L186-L192 PolarHBondContact O-N 3.44Å; L186-P267 HydrophobicContact CD1-CB 4.16Å; L186-P267 HydrophobicContact CD1-CG 4.38Å; L186-V328 HydrophobicContact CD2-CG1 3.85Å
187	I	45.6	Very low	41.3	Very low	21 Å²	21	54.3 Å²	54.3	11%	0.108	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-46.9	169.7	-65.7	168.2	0	0	0	110.4	V29 L33 F183 L184 R185 I189 G190 L192	V29-I187 HydrophobicContact CG1-CG2 4.42Å; L33-I187 HydrophobicContact CD1-CG2 4.5Å; F183-I187 HydrophobicContact CD1-CD1 3.89Å; F183-I187 HydrophobicContact CE1-CD1 3.43Å; F183-I187 VanDerWaalsContact CE1-CD1 3.43Å; F183-I187 HydrophobicContact CE1-CG1 4.46Å; F183-I187 HydrophobicContact CE2-CD1 4.47Å; F183-I187 HydrophobicContact CZ-CD1 3.78Å; F183-I187 HydrophobicContact CZ-CG1 4.5Å; F183-I187 WeakPolarHBondContact O-CG1 3.34Å; F183-I187 PolarHBondContact O-N 2.98Å; L184-I187 WeakPolarHBondContact O-CB 3.15Å; L184-I187 PolarHBondContact O-N 2.83Å; R185-I187 VanDerWaalsContact C-N 3.32Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.25Å; I187-G190 WeakPolarHBondContact O-CA 3.47Å; I187-G190 PolarHBondContact O-N 2.77Å; I187-L192 HydrophobicContact CB-CB 4.49Å; I187-L192 HydrophobicContact CG1-CB 3.65Å; I187-L192 HydrophobicContact CG1-CD1 4.29Å
188	Q	49	Very low	40.7	Very low	60 Å²	60	55.3 Å²	55.3	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-40.2	-179.3	-75.1	170.8	-5.2	0	0	113	L33 L166 L184 R185 G190	L33-Q188 HydrophobicContact CD1-CG 3.78Å; L166-Q188 HydrophobicContact CD1-CB 4.21Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.21Å; R185-Q188 WeakPolarHBondContact O-CB 3.36Å; R185-Q188 PolarHBondContact O-N 3.18Å; Q188-G190 PolarHBondContact O-N 2.71Å
189	I	50.4	Low	40.1	Very low	3 Å²	3	57.3 Å²	57.3	2%	0.015	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1	175.8	66.5	177.1	0	0	0	112.9	R26 M163 L166 R185 L186 I187 M191 V237 I241	R26-I189 PolarHBondContact NH2-O 3.21Å; M163-I189 HydrophobicContact CE-CB 4.11Å; M163-I189 WeakPolarHBondContact CE-O 3.3Å; L166-I189 HydrophobicContact CB-CG2 3.95Å; L166-I189 HydrophobicContact CD1-CG2 4.5Å; R185-I189 WeakPolarHBondContact O-CG1 3.16Å; R185-I189 PolarHBondContact O-N 3.17Å; L186-I189 HydrophobicContact CD2-CD1 3.98Å; L186-I189 WeakPolarHBondContact O-CG1 3.43Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.25Å; I189-M191 VanDerWaalsContact C-N 3.33Å; I189-M191 HydrophobicContact CD1-CB 4.47Å; I189-M191 HydrophobicContact CD1-CG 3.83Å; I189-M191 HydrophobicContact CD1-SD 3.48Å; I189-M191 WeakPolarHBondContact CD1-SD 3.19Å; I189-M191 HydrophobicContact CG1-CB 4.19Å; I189-M191 HydrophobicContact CG1-CG 3.87Å; I189-M191 HydrophobicContact CG1-SD 4.2Å; I189-V237 HydrophobicContact CD1-CG2 3.86Å; I189-I241 HydrophobicContact CB-CD1 4.21Å; I189-I241 HydrophobicContact CD1-CD1 4.49Å; I189-I241 HydrophobicContact CG2-CD1 4.06Å
190	G	46.3	Very low	39.1	Very low	21 Å²	21	62 Å²	62	22%	0.216	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	16.3	177.6	0	0	0	0	0	114.2	R84 L186 I187 Q188 L192	R84-G190 PolarHBondContact NH1-O 3.2Å; L186-G190 PolarHBondContact O-N 3.47Å; I187-G190 WeakPolarHBondContact O-CA 3.47Å; I187-G190 PolarHBondContact O-N 2.77Å; Q188-G190 PolarHBondContact O-N 2.71Å; G190-L192 VanDerWaalsContact C-N 3.32Å
191	M	47.5	Very low	38.4	Very low	7 Å²	7	60.2 Å²	60.2	3%	0.034	32%	0.315	C	S	.	.	S	Bend	trans	-73.4	-30.1	172.1	-78.4	-174	72.1	0	0	111.6	L186 I189 V237 Y240 P267 V326	L186-M191 HydrophobicContact CB-CB 4.44Å; L186-M191 HydrophobicContact CD2-CB 4.37Å; L186-M191 HydrophobicContact CD2-CE 4.36Å; L186-M191 HydrophobicContact CD2-SD 3.69Å; L186-M191 WeakPolarHBondContact O-CB 3.17Å; L186-M191 PolarHBondContact O-N 3.35Å; I189-M191 VanDerWaalsContact C-N 3.33Å; I189-M191 HydrophobicContact CD1-CB 4.47Å; I189-M191 HydrophobicContact CD1-CG 3.83Å; I189-M191 HydrophobicContact CD1-SD 3.48Å; I189-M191 WeakPolarHBondContact CD1-SD 3.19Å; I189-M191 HydrophobicContact CG1-CB 4.19Å; I189-M191 HydrophobicContact CG1-CG 3.87Å; I189-M191 HydrophobicContact CG1-SD 4.2Å; M191-V237 HydrophobicContact SD-CG2 4.19Å; M191-Y240 HydrophobicContact CG-CD1 3.86Å; M191-Y240 HydrophobicContact CG-CE1 3.22Å; M191-Y240 HydrophobicContact SD-CD1 3.91Å; M191-Y240 HydrophobicContact SD-CE1 3.91Å; M191-P267 HydrophobicContact CE-CB 3.66Å; M191-P267 HydrophobicContact CE-CG 4.32Å; M191-V326 HydrophobicContact CE-CB 3.5Å; M191-V326 HydrophobicContact CE-CG1 3.52Å; M191-V326 HydrophobicContact CE-CG2 3.83Å; M191-V326 HydrophobicContact SD-CG1 3.96Å
192	L	41.4	Very low	37.5	Very low	7 Å²	7	63.4 Å²	63.4	4%	0.037	33%	0.332	C	S	.	.			trans	-118.6	130.3	177.8	-58	174.7	0	0	0	110.2	F82 I97 F183 L186 I187 G190	F82-L192 HydrophobicContact CB-CD2 3.33Å; F82-L192 HydrophobicContact CD1-CD1 4.44Å; F82-L192 HydrophobicContact CD1-CD2 3.91Å; F82-L192 HydrophobicContact CD2-CD1 3.75Å; F82-L192 HydrophobicContact CD2-CD2 3.68Å; F82-L192 HydrophobicContact CD2-CG 4.33Å; F82-L192 HydrophobicContact CE1-CD1 4.45Å; F82-L192 HydrophobicContact CE2-CD1 3.72Å; F82-L192 HydrophobicContact CE2-CD2 4.44Å; F82-L192 HydrophobicContact CG-CD1 4.12Å; F82-L192 HydrophobicContact CG-CD2 3.36Å; F82-L192 HydrophobicContact CG-CG 4.4Å; F82-L192 HydrophobicContact CZ-CD1 4.13Å; I97-L192 HydrophobicContact CD1-CB 4.2Å; I97-L192 HydrophobicContact CD1-CD2 4.11Å; I97-L192 HydrophobicContact CG2-CD2 4.44Å; F183-L192 HydrophobicContact CD2-CD1 3.37Å; F183-L192 HydrophobicContact CE2-CD1 3.5Å; F183-L192 VanDerWaalsContact CE2-CD1 3.5Å; F183-L192 HydrophobicContact CG-CD1 4.35Å; L186-L192 HydrophobicContact CB-CD1 3.55Å; L186-L192 HydrophobicContact CB-CG 3.92Å; L186-L192 HydrophobicContact CD1-CD1 4.13Å; L186-L192 PolarHBondContact O-N 3.44Å; I187-L192 HydrophobicContact CB-CB 4.49Å; I187-L192 HydrophobicContact CG1-CB 3.65Å; I187-L192 HydrophobicContact CG1-CD1 4.29Å; G190-L192 VanDerWaalsContact C-N 3.32Å
193	L	36.5	Very low	36.4	Very low	59 Å²	59	69.4 Å²	69.4	31%	0.309	35%	0.354	S	S	.	.			trans	-104.1	112.4	169.5	-75.4	163.5	0	0	0	108.4	W95 I97 N195	W95-L193 HydrophobicContact CB-CD1 4.21Å; W95-L193 HydrophobicContact CD2-CD1 4.3Å; W95-L193 HydrophobicContact CG-CD1 3.93Å; I97-L193 HydrophobicContact CD1-CB 4.29Å; I97-L193 WeakPolarHBondContact CD1-O 3.41Å; L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 3.25Å
194	P	31.6	Very low	35.3	Very low	86 Å²	86	71.3 Å²	71.3	56%	0.558	37%	0.367	S	S	*	.			trans	-65.9	94.8	171.6	26.7	-31	0	0	0	108.3
195	N	32	Very low	34.3	Very low	55 Å²	55	72.2 Å²	72.2	29%	0.294	38%	0.376	S	S	.	.			trans	-89.4	117.1	168.9	-161.9	-3	0	0	0	107.6	W95 L193 D197 C198	W95-N195 PolarHBondContact O-ND2 3.15Å; W95-N195 VanDerWaalsContact O-ND2 3.14Å; L193-N195 VanDerWaalsContact C-N 3.3Å; L193-N195 PolarHBondContact O-N 3.25Å; N195-D197 VanDerWaalsContact C-N 3.29Å; N195-D197 PolarHBondContact O-N 3.37Å; N195-C198 PolarHBondContact O-SG 2.99Å
196	V	26	Very low	32.9	Very low	121 Å²	121	79.6 Å²	79.6	73%	0.733	41%	0.405	S	S	*	.	S	Bend	trans	-75.3	-22.4	-170.4	-166.7	0	0	0	0	111.2
197	D	25.3	Very low	31.6	Very low	96 Å²	96	82.9 Å²	82.9	51%	0.513	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-85.2	-22.1	-174.9	-81.1	-48.4	0	0	0	114.8	N195 M199 K200	N195-D197 VanDerWaalsContact C-N 3.29Å; N195-D197 PolarHBondContact O-N 3.37Å; D197-M199 PolarHBondContact O-N 3.25Å; D197-K200 PolarHBondContact O-N 3.04Å; D197-K200 IonicContact OD1-NZ 3.84Å; D197-K200 PolarHBondContact OD1-NZ 2.99Å
198	C	26.1	Very low	30.5	Very low	39 Å²	39	87.3 Å²	87.3	26%	0.264	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-74.8	-5.4	178.2	60.1	0	0	0	0	114	L96 N195 K200	L96-C198 HydrophobicContact CD2-CB 4.08Å; N195-C198 PolarHBondContact O-SG 2.99Å; C198-K200 PolarHBondContact O-N 3.16Å
199	M	23.9	Very low	29.4	Very low	164 Å²	164	87.6 Å²	87.6	81%	0.808	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-69.9	-2.4	167	-71.8	-111.2	-78.5	0	0	113.3	D197	D197-M199 PolarHBondContact O-N 3.25Å
200	K	23.3	Very low	28.4	Very low	153 Å²	153	92.2 Å²	92.2	67%	0.665	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-97.6	-12.8	178.6	-68.8	175.3	-174.4	147.5	0	115.1	D197 C198 D202	D197-K200 PolarHBondContact O-N 3.04Å; D197-K200 IonicContact OD1-NZ 3.84Å; D197-K200 PolarHBondContact OD1-NZ 2.99Å; C198-K200 PolarHBondContact O-N 3.16Å; K200-D202 PolarHBondContact O-N 2.85Å
201	E	22.3	Very low	27.5	Very low	108 Å²	108	97.8 Å²	97.8	51%	0.505	51%	0.514	S	S	.	.			trans	-97.4	81.5	-174.1	-71.7	-159.4	173.8	0	0	112.9	R203	E201-R203 HydrophobicContact CB-CG 4.46Å; E201-R203 PolarHBondContact O-N 3.02Å; E201-R203 IonicContact OE1-NH2 2.83Å; E201-R203 IonicContact OE2-CZ 3.39Å; E201-R203 VanDerWaalsContact OE2-CZ 3.25Å; E201-R203 IonicContact OE2-NE 3.33Å; E201-R203 PolarHBondContact OE2-NE 2.86Å; E201-R203 IonicContact OE2-NH2 3.6Å; E201-R203 PolarHBondContact OE2-NH2 3.49Å
202	D	23.9	Very low	26.7	Very low	137 Å²	137	98.9 Å²	98.9	73%	0.733	52%	0.519	S	S	*	.			trans	-64.9	90.2	166.5	-93.2	-36.7	0	0	0	110.8	K200	K200-D202 PolarHBondContact O-N 2.85Å
203	R	23.8	Very low	26.4	Very low	127 Å²	127	101.8 Å²	101.8	48%	0.479	54%	0.537	S	S	.	.			trans	-97.2	20.3	179.6	-67.3	-165	-175.3	-152.5	-1	115.3	E201	E201-R203 HydrophobicContact CB-CG 4.46Å; E201-R203 PolarHBondContact O-N 3.02Å; E201-R203 IonicContact OE1-NH2 2.83Å; E201-R203 IonicContact OE2-CZ 3.39Å; E201-R203 VanDerWaalsContact OE2-CZ 3.25Å; E201-R203 IonicContact OE2-NE 3.33Å; E201-R203 PolarHBondContact OE2-NE 2.86Å; E201-R203 IonicContact OE2-NH2 3.6Å; E201-R203 PolarHBondContact OE2-NH2 3.49Å
204	L	22.3	Very low	26.4	Very low	111 Å²	111	101.5 Å²	101.5	58%	0.581	55%	0.548	S	S	*	.			trans	-118.5	7	-175.4	-97.7	156.5	0	0	0	115.8	Y206	L204-Y206 PolarHBondContact O-N 3.2Å
205	T	21.4	Very low	26.6	Very low	96 Å²	96	97.9 Å²	97.9	59%	0.589	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.9	-163.3	-25.5	0	0	0	0	116.5	A207	T205-A207 VanDerWaalsContact C-N 3.33Å; T205-A207 PolarHBondContact O-N 2.75Å
206	Y	21.6	Very low	27.1	Very low	200 Å²	200	100.3 Å²	100.3	78%	0.784	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	16.2	-175.8	-83.7	-76	0	0	0	116	L204 V208 L311	L204-Y206 PolarHBondContact O-N 3.2Å; Y206-V208 PolarHBondContact O-N 2.83Å; Y206-V208 VanDerWaalsContact O-N 3.1Å; Y206-L311 HydrophobicContact CE2-CD1 4.12Å
207	A	22.7	Very low	27.7	Very low	69 Å²	69	100.2 Å²	100.2	57%	0.57	53%	0.533	S	S	*	.	S	Bend	trans	-80.3	96.5	178.4	0	0	0	0	0	111.8	T205	T205-A207 VanDerWaalsContact C-N 3.33Å; T205-A207 PolarHBondContact O-N 2.75Å
208	V	23.9	Very low	28.2	Very low	114 Å²	114	98 Å²	98	69%	0.691	53%	0.525	S	S	*	.			trans	79.4	83.6	157.7	-157.7	0	0	0	0	115.7	Y206 P210	Y206-V208 PolarHBondContact O-N 2.83Å; Y206-V208 VanDerWaalsContact O-N 3.1Å; V208-P210 WeakPolarHBondContact O-CD 3.4Å
209	N	25.7	Very low	28.9	Very low	66 Å²	66	100.1 Å²	100.1	35%	0.353	53%	0.53	S	S	.	.			trans	-62.9	122.8	160.7	-177.2	-19.4	0	0	0	109.3	E211 F212	N209-E211 PolarHBondContact O-N 2.87Å; N209-E211 WeakPolarHBondContact OD1-CB 3.28Å; N209-E211 PolarHBondContact OD1-N 3.31Å; N209-F212 HydrophobicContact CB-CD2 4.28Å; N209-F212 PolarHBondContact O-N 3.01Å
210	P	28.2	Very low	29.5	Very low	101 Å²	101	93.6 Å²	93.6	66%	0.656	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.1	-179.3	17.1	-24.8	0	0	0	114.1	V208 F212 V213	V208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-F212 PolarHBondContact O-N 2.93Å; P210-V213 WeakPolarHBondContact O-CB 3.43Å; P210-V213 VanDerWaalsContact O-CG2 3.27Å; P210-V213 WeakPolarHBondContact O-CG2 3.34Å; P210-V213 PolarHBondContact O-N 3.09Å
211	E	28.5	Very low	29.7	Very low	138 Å²	138	91.8 Å²	91.8	65%	0.645	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.6	179.1	-65.4	-167.8	167	0	0	113.8	N209 R301	N209-E211 PolarHBondContact O-N 2.87Å; N209-E211 WeakPolarHBondContact OD1-CB 3.28Å; N209-E211 PolarHBondContact OD1-N 3.31Å; E211-R301 VanDerWaalsContact O-CD 3.32Å; E211-R301 WeakPolarHBondContact O-CD 3.01Å; E211-R301 PolarHBondContact O-NH1 2.73Å
212	F	30.3	Very low	30.2	Very low	29 Å²	29	89.5 Å²	89.5	13%	0.127	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-96.9	4.9	178.2	-73.1	-77.8	0	0	0	114	N209 P210 G214 G215 V299 R301 T304 L306	N209-F212 HydrophobicContact CB-CD2 4.28Å; N209-F212 PolarHBondContact O-N 3.01Å; P210-F212 PolarHBondContact O-N 2.93Å; F212-G214 PolarHBondContact O-N 3.44Å; F212-G214 VanDerWaalsContact O-N 3.09Å; F212-G215 PolarHBondContact O-N 3.22Å; F212-V299 HydrophobicContact CB-CG1 4Å; F212-V299 HydrophobicContact CD1-CB 3.84Å; F212-V299 HydrophobicContact CD1-CG1 3.6Å; F212-V299 HydrophobicContact CE1-CB 4.41Å; F212-V299 HydrophobicContact CG-CB 4.39Å; F212-V299 HydrophobicContact CG-CG1 4.12Å; F212-R301 HydrophobicContact CD1-CB 4.45Å; F212-T304 HydrophobicContact CZ-CG2 4.48Å; F212-L306 HydrophobicContact CD1-CB 4.38Å; F212-L306 HydrophobicContact CD2-CB 4.44Å; F212-L306 HydrophobicContact CD2-CD2 4.15Å; F212-L306 HydrophobicContact CE1-CB 3.74Å; F212-L306 HydrophobicContact CE2-CB 3.82Å; F212-L306 HydrophobicContact CE2-CD1 3.99Å; F212-L306 HydrophobicContact CE2-CD2 4.05Å; F212-L306 HydrophobicContact CE2-CG 4.18Å; F212-L306 HydrophobicContact CZ-CB 3.46Å; F212-L306 VanDerWaalsContact CZ-CB 3.46Å; F212-L306 HydrophobicContact CZ-CD1 4.22Å; F212-L306 HydrophobicContact CZ-CG 4.28Å
213	V	35.5	Very low	30.4	Very low	69 Å²	69	86.7 Å²	86.7	42%	0.418	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	115.9	168	177.9	0	0	0	0	108.3	P210 R301	P210-V213 WeakPolarHBondContact O-CB 3.43Å; P210-V213 VanDerWaalsContact O-CG2 3.27Å; P210-V213 WeakPolarHBondContact O-CG2 3.34Å; P210-V213 PolarHBondContact O-N 3.09Å; V213-R301 PolarHBondContact O-NH1 2.88Å
214	G	35.5	Very low	30.9	Very low	53 Å²	53	85.1 Å²	85.1	55%	0.546	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	3.8	-175.8	0	0	0	0	0	116.1	F212	F212-G214 PolarHBondContact O-N 3.44Å; F212-G214 VanDerWaalsContact O-N 3.09Å
215	G	36.9	Very low	31.2	Very low	9 Å²	9	89.3 Å²	89.3	9%	0.093	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-67.4	153.3	173.4	0	0	0	0	0	113.4	F212 F217	F212-G215 PolarHBondContact O-N 3.22Å; G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.26Å
216	T	41.4	Very low	31.9	Very low	106 Å²	106	89.6 Å²	89.6	65%	0.65	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.9	171.9	30.3	0	0	0	0	110.6	T300	T216-T300 PolarHBondContact N-O 2.77Å; T216-T300 PolarHBondContact O-N 2.69Å; T216-T300 PolarHBondContact OG1-O 3.28Å
217	F	38.5	Very low	32.9	Very low	120 Å²	120	84.8 Å²	84.8	53%	0.526	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.6	-179.8	-63.5	-94.5	0	0	0	110.7	G215 F219 L297 S298 V299	G215-F217 WeakPolarHBondContact O-CD2 3.48Å; G215-F217 WeakPolarHBondContact O-CE2 3.26Å; F217-F219 HydrophobicContact CB-CE2 4.21Å; F217-F219 HydrophobicContact CB-CZ 4.42Å; F217-L297 HydrophobicContact CD1-CD1 4.29Å; F217-L297 HydrophobicContact CD1-CD2 4.49Å; F217-L297 HydrophobicContact CD1-CG 4.5Å; F217-S298 CarbonylContact C-O 3.58Å; F217-V299 HydrophobicContact CD1-CB 4.37Å; F217-V299 HydrophobicContact CD1-CG1 4.17Å; F217-V299 HydrophobicContact CD1-CG2 3.6Å; F217-V299 HydrophobicContact CE1-CB 4.26Å; F217-V299 HydrophobicContact CE1-CG1 3.87Å; F217-V299 HydrophobicContact CE1-CG2 3.41Å; F217-V299 VanDerWaalsContact CE1-CG2 3.41Å; F217-V299 HydrophobicContact CE2-CG1 4.48Å; F217-V299 HydrophobicContact CZ-CG1 4.03Å; F217-V299 HydrophobicContact CZ-CG2 4.33Å
218	S	37.3	Very low	33.9	Very low	50 Å²	50	86 Å²	86	35%	0.35	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.1	171.3	66.4	0	0	0	0	111.5	S298	S218-S298 PolarHBondContact N-O 3.09Å; S218-S298 PolarHBondContact O-N 2.9Å; S218-S298 WeakPolarHBondContact OG-CB 3.23Å
219	F	41.1	Very low	35.5	Very low	83 Å²	83	84.2 Å²	84.2	36%	0.364	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.4	-169.6	-60.2	-93.7	0	0	0	110.8	F217 L297 F411 K414	F217-F219 HydrophobicContact CB-CE2 4.21Å; F217-F219 HydrophobicContact CB-CZ 4.42Å; F219-L297 HydrophobicContact CD1-CD1 3.98Å; F219-L297 HydrophobicContact CE1-CD1 3.37Å; F219-L297 HydrophobicContact CZ-CD1 3.88Å; F219-F411 HydrophobicContact CZ-CE1 4.34Å; F219-K414 HydrophobicContact CD1-CD 4.37Å; F219-K414 VanDerWaalsContact CD1-CE 3.5Å
220	G	34.7	Very low	37.1	Very low	26 Å²	26	81.4 Å²	81.4	27%	0.268	46%	0.461	S	S	.	.			trans	-57.7	148.9	165.6	0	0	0	0	0	112.1	P295	G220-P295 VanDerWaalsContact O-CB 3.26Å; G220-P295 WeakPolarHBondContact O-CB 3.37Å; G220-P295 WeakPolarHBondContact O-CG 3.27Å
221	P	28.6	Very low	39.4	Very low	116 Å²	116	79.8 Å²	79.8	75%	0.753	45%	0.445	S	S	*	.			trans	-62.4	140.5	173	25.9	-31.6	0	0	0	111.2
222	C	33.2	Very low	41.5	Very low	60 Å²	60	73.2 Å²	73.2	41%	0.405	41%	0.414	S	S	.	.			trans	-132.1	147	170.7	-166.3	0	0	0	0	109.6	Q293 P295	C222-Q293 WeakPolarHBondContact SG-CB 3.32Å; C222-Q293 PolarHBondContact SG-O 3.37Å; C222-P295 HydrophobicContact CB-CG 3.87Å
223	S	28.2	Very low	43.9	Very low	77 Å²	77	71.8 Å²	71.8	54%	0.538	41%	0.408	S	S	.	.			trans	-118.5	108.2	174.1	-169	0	0	0	0	108.7	R225	S223-R225 PolarHBondContact O-N 2.84Å
224	P	33.5	Very low	46	Very low	94 Å²	94	68.5 Å²	68.5	61%	0.61	39%	0.388	S	S	*	.			trans	-70.5	108.4	174.8	27.7	-31.1	0	0	0	110.4	Q293	P224-Q293 VanDerWaalsContact CA-CD 3.5Å
225	R	29.6	Very low	48.2	Very low	200 Å²	200	66 Å²	66	76%	0.755	36%	0.362	S	S	*	.			trans	-124.8	-5.7	177.4	-78.9	-164.9	175.3	-166	-1.2	115.9	S223	S223-R225 PolarHBondContact O-N 2.84Å
226	H	35.5	Very low	50.4	Low	101 Å²	101	65.6 Å²	65.6	47%	0.468	36%	0.358	S	S	.	.			trans	-129.8	90	-177.3	-59.6	-58.6	0	0	0	111.2	Y228	H226-Y228 HydrophobicContact CB-CD2 4.14Å; H226-Y228 HydrophobicContact CB-CE2 3.48Å; H226-Y228 VanDerWaalsContact CB-CE2 3.48Å
227	V	41.5	Very low	51.9	Low	99 Å²	99	60.5 Å²	60.5	60%	0.6	33%	0.327	S	S	*	.			trans	-79.7	110.8	165.2	178.1	0	0	0	0	106.3	E367	V227-E367 WeakPolarHBondContact CG1-OE1 3.47Å; V227-E367 WeakPolarHBondContact CG1-OE2 3.26Å
228	Y	45.2	Very low	53.6	Low	94 Å²	94	55 Å²	55	37%	0.369	30%	0.303	S	S	.	.			trans	-101	112.4	174.5	-69	-77.7	0	0	0	108.5	H226 V230 M288 I289	H226-Y228 HydrophobicContact CB-CD2 4.14Å; H226-Y228 HydrophobicContact CB-CE2 3.48Å; H226-Y228 VanDerWaalsContact CB-CE2 3.48Å; Y228-V230 PolarHBondContact O-N 3.04Å; Y228-M288 HydrophobicContact CD2-CB 4.37Å; Y228-I289 HydrophobicContact CD2-CG1 4.39Å
229	P	56.7	Low	55.5	Low	78 Å²	78	54.6 Å²	54.6	51%	0.506	29%	0.294	S	S	.	.			trans	-69.4	115.3	178.5	27.6	-31.7	0	0	0	109.2
230	V	60.1	Low	57.1	Low	6 Å²	6	50.8 Å²	50.8	4%	0.036	28%	0.277	C	S	.	.			trans	-86.8	121.8	169.6	178.5	0	0	0	0	108.8	Y228 L285 T286 E321 V323 S365 L366	Y228-V230 PolarHBondContact O-N 3.04Å; V230-L285 HydrophobicContact CG1-CD1 4.49Å; V230-T286 HydrophobicContact CG2-CG2 3.79Å; V230-E321 WeakPolarHBondContact CA-O 3.35Å; V230-V323 HydrophobicContact CG1-CG2 3.49Å; V230-V323 VanDerWaalsContact CG1-CG2 3.49Å; V230-S365 WeakPolarHBondContact O-CA 3.41Å; V230-L366 HydrophobicContact CG1-CD1 4.12Å; V230-L366 PolarHBondContact O-N 3.04Å
231	E	75.5	Confident	58.7	Low	67 Å²	67	49.6 Å²	49.6	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.2	-178.4	-69.8	-163	166.5	0	0	111.8	F254 E321 R322 V323 P363	E231-F254 HydrophobicContact CB-CZ 4.39Å; E231-E321 PolarHBondContact N-O 3.17Å; E231-R322 CarbonylContact O-C 3.58Å; E231-R322 VanDerWaalsContact O-CA 3.31Å; E231-R322 WeakPolarHBondContact O-CA 3.28Å; E231-V323 PolarHBondContact O-N 3.29Å; E231-P363 HydrophobicContact CB-CB 4.05Å; E231-P363 HydrophobicContact CB-CG 4.33Å; E231-P363 HydrophobicContact CG-CG 4.44Å; E231-P363 WeakPolarHBondContact OE2-CG 3.27Å
232	A	73.5	Confident	60.7	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.6	-179.1	0	0	0	0	0	113.9	V323 F325 V351 A364 L366	A232-V323 VanDerWaalsContact CA-O 3.29Å; A232-V323 WeakPolarHBondContact CA-O 3.42Å; A232-V323 HydrophobicContact CB-CB 4.15Å; A232-F325 HydrophobicContact CB-CD2 4.3Å; A232-F325 HydrophobicContact CB-CE2 3.88Å; A232-V351 HydrophobicContact CB-CG1 4.39Å; A232-A364 PolarHBondContact N-O 3.34Å; A232-A364 PolarHBondContact O-N 2.83Å; A232-L366 HydrophobicContact CB-CD1 3.85Å; A232-L366 HydrophobicContact CB-CD2 3.61Å; A232-L366 HydrophobicContact CB-CG 3.59Å
233	M	80.3	Confident	62.4	Low	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.9	171.3	-171.4	169.9	-61.5	0	0	109.8	F254 V323 L324 F325 W354 L360 P361 P363	M233-F254 HydrophobicContact CB-CD1 4.18Å; M233-F254 HydrophobicContact CB-CD2 4.1Å; M233-F254 HydrophobicContact CB-CE1 4.04Å; M233-F254 HydrophobicContact CB-CE2 3.99Å; M233-F254 HydrophobicContact CB-CG 4.2Å; M233-F254 HydrophobicContact CB-CZ 3.95Å; M233-F254 HydrophobicContact CE-CD2 3.79Å; M233-F254 HydrophobicContact CE-CE2 3.99Å; M233-F254 HydrophobicContact SD-CD2 4.13Å; M233-F254 HydrophobicContact SD-CG 4.43Å; M233-V323 PolarHBondContact N-O 2.7Å; M233-L324 HydrophobicContact CB-CD1 4.46Å; M233-L324 CarbonylContact O-C 3.54Å; M233-L324 WeakPolarHBondContact O-CA 2.95Å; M233-F325 PolarHBondContact O-N 2.97Å; M233-W354 HydrophobicContact SD-CB 4.09Å; M233-L360 HydrophobicContact CE-CD1 4.03Å; M233-L360 HydrophobicContact CE-CD2 4.26Å; M233-L360 HydrophobicContact CE-CG 3.94Å; M233-L360 HydrophobicContact SD-CD1 3.99Å; M233-P361 HydrophobicContact CE-CG 4.2Å; M233-P361 VanDerWaalsContact CE-O 3.24Å; M233-P361 WeakPolarHBondContact CE-O 3.27Å; M233-P361 HydrophobicContact SD-CG 4.37Å; M233-P363 HydrophobicContact CE-CB 4.39Å
234	A	79.8	Confident	64.2	Low	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.9	174.4	0	0	0	0	0	111.1	F325 L327 W340 V351 P352 V353 W354	A234-F325 CarbonylContact C-O 3.51Å; A234-F325 WeakPolarHBondContact CA-O 3.27Å; A234-F325 HydrophobicContact CB-CB 4.02Å; A234-L327 HydrophobicContact CB-CD2 4.26Å; A234-L327 HydrophobicContact CB-CG 4.35Å; A234-W340 HydrophobicContact CB-CB 4.35Å; A234-W340 HydrophobicContact CB-CE3 4.35Å; A234-V351 HydrophobicContact CB-CG1 3.83Å; A234-P352 PolarHBondContact N-O 3.2Å; A234-V353 HydrophobicContact CB-CG2 3.88Å; A234-V353 CarbonylContact O-C 3.6Å; A234-V353 VanDerWaalsContact O-CA 3.27Å; A234-V353 WeakPolarHBondContact O-CA 3.4Å; A234-W354 PolarHBondContact O-N 3.34Å
235	I	81.6	Confident	65.7	Low	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.6	174.1	61.9	173.6	0	0	0	111.6	Y240 M251 L324 F325 V326 L327 W354	I235-Y240 HydrophobicContact CD1-CD2 4.09Å; I235-Y240 HydrophobicContact CD1-CG 4.39Å; I235-M251 HydrophobicContact CD1-CE 4.23Å; I235-M251 HydrophobicContact CD1-SD 4.48Å; I235-M251 HydrophobicContact CG2-SD 3.87Å; I235-L324 HydrophobicContact CB-CD1 4.47Å; I235-L324 HydrophobicContact CD1-CD1 4.03Å; I235-L324 HydrophobicContact CD1-CD2 3.76Å; I235-L324 HydrophobicContact CD1-CG 4.09Å; I235-L324 HydrophobicContact CG1-CD1 3.91Å; I235-L324 HydrophobicContact CG1-CD2 4.35Å; I235-L324 HydrophobicContact CG1-CG 4.12Å; I235-L324 HydrophobicContact CG2-CD1 3.87Å; I235-F325 PolarHBondContact N-O 3.37Å; I235-V326 HydrophobicContact CG1-CG2 4.2Å; I235-V326 CarbonylContact O-C 3.51Å; I235-V326 WeakPolarHBondContact O-CA 3.4Å; I235-L327 PolarHBondContact O-N 3.31Å; I235-W354 HydrophobicContact CG2-CB 4.01Å; I235-W354 HydrophobicContact CG2-CE3 4.24Å
236	P	82.1	Confident	67.2	Low	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	151.7	170.2	-24.8	37.3	0	0	0	112.9	D238 R239 Y240 T332 V353 W354 V355	P236-D238 WeakPolarHBondContact CB-OD1 3.4Å; P236-D238 PolarHBondContact O-N 2.83Å; P236-R239 HydrophobicContact CB-CB 4.4Å; P236-R239 WeakPolarHBondContact O-CA 3.35Å; P236-R239 WeakPolarHBondContact O-CB 3.31Å; P236-R239 PolarHBondContact O-N 3.41Å; P236-Y240 PolarHBondContact O-N 2.79Å; P236-T332 HydrophobicContact CB-CG2 4.18Å; P236-T332 HydrophobicContact CG-CG2 4.11Å; P236-V353 HydrophobicContact CG-CG1 4.11Å; P236-W354 VanDerWaalsContact CD-O 3.31Å; P236-W354 WeakPolarHBondContact CD-O 3.45Å; P236-V355 HydrophobicContact CG-CG1 3.87Å
237	V	74.6	Confident	68.5	Low	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-35.8	-175	64.6	0	0	0	0	113.8	A167 A171 I189 M191 R239 Y240 I241 V326 L327 A330	A167-V237 HydrophobicContact CB-CG1 3.98Å; A167-V237 HydrophobicContact CB-CG2 4.15Å; A171-V237 HydrophobicContact CB-CG1 4.25Å; I189-V237 HydrophobicContact CD1-CG2 3.86Å; M191-V237 HydrophobicContact SD-CG2 4.19Å; V237-R239 VanDerWaalsContact C-N 3.3Å; V237-R239 PolarHBondContact O-N 2.92Å; V237-Y240 WeakPolarHBondContact O-CB 3.05Å; V237-Y240 PolarHBondContact O-N 3.3Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.49Å; V237-I241 VanDerWaalsContact O-N 3.09Å; V237-V326 HydrophobicContact CB-CG1 4.09Å; V237-V326 HydrophobicContact CG2-CG1 4.21Å; V237-L327 PolarHBondContact N-O 3.32Å; V237-L327 VanDerWaalsContact N-O 3.12Å; V237-A330 PolarHBondContact N-O 2.81Å
238	D	72.9	Confident	69.4	Low	5 Å²	5	29.7 Å²	29.7	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-37.6	172.6	62.6	-32.8	0	0	0	111.3	P236 I241 D242 T331 T332	P236-D238 WeakPolarHBondContact CB-OD1 3.4Å; P236-D238 PolarHBondContact O-N 2.83Å; D238-I241 WeakPolarHBondContact O-CB 3.48Å; D238-I241 PolarHBondContact O-N 2.9Å; D238-D242 PolarHBondContact O-N 3.25Å; D238-T331 WeakPolarHBondContact OD1-CA 3.15Å; D238-T332 VanDerWaalsContact CG-N 3.34Å; D238-T332 PolarHBondContact OD1-N 3Å; D238-T332 WeakPolarHBondContact OD2-CB 3.24Å; D238-T332 PolarHBondContact OD2-N 2.93Å; D238-T332 PolarHBondContact OD2-OG1 3.2Å
239	R	78	Confident	70	Confident	40 Å²	40	31.2 Å²	31.2	15%	0.151	18%	0.184	C	C	.	.	H	α-helix	trans	-68.7	-41.3	175.7	-162.1	49.9	168.7	-176.2	0.8	112.5	P236 V237 I241 D242 V243 V248 T332 W354	P236-R239 HydrophobicContact CB-CB 4.4Å; P236-R239 WeakPolarHBondContact O-CA 3.35Å; P236-R239 WeakPolarHBondContact O-CB 3.31Å; P236-R239 PolarHBondContact O-N 3.41Å; V237-R239 VanDerWaalsContact C-N 3.3Å; V237-R239 PolarHBondContact O-N 2.92Å; R239-I241 PolarHBondContact O-N 2.62Å; R239-D242 IonicContact NH1-OD2 2.88Å; R239-D242 PolarHBondContact O-N 3.32Å; R239-D242 VanDerWaalsContact O-N 3.11Å; R239-V243 WeakPolarHBondContact O-CG2 3.35Å; R239-V243 PolarHBondContact O-N 2.9Å; R239-V248 VanDerWaalsContact NH1-CG2 3.35Å; R239-T332 HydrophobicContact CB-CG2 3.52Å; R239-T332 HydrophobicContact CG-CG2 3.99Å; R239-W354 HydrophobicContact CG-CE3 3.75Å; R239-W354 HydrophobicContact CG-CZ3 3.8Å
240	Y	74.2	Confident	70.5	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-54.6	-43.8	172.8	170.9	-94.8	0	0	0	110.6	M191 I235 P236 V237 V243 C244 W259 V265 V326	M191-Y240 HydrophobicContact CG-CD1 3.86Å; M191-Y240 HydrophobicContact CG-CE1 3.22Å; M191-Y240 HydrophobicContact SD-CD1 3.91Å; M191-Y240 HydrophobicContact SD-CE1 3.91Å; I235-Y240 HydrophobicContact CD1-CD2 4.09Å; I235-Y240 HydrophobicContact CD1-CG 4.39Å; P236-Y240 PolarHBondContact O-N 2.79Å; V237-Y240 WeakPolarHBondContact O-CB 3.05Å; V237-Y240 PolarHBondContact O-N 3.3Å; Y240-V243 PolarHBondContact O-N 2.77Å; Y240-C244 VanDerWaalsContact CE1-SG 3.51Å; Y240-C244 WeakPolarHBondContact O-CB 3.36Å; Y240-C244 PolarHBondContact O-N 3.32Å; Y240-C244 PolarHBondContact O-SG 2.92Å; Y240-W259 AromaticContact CD2-CH2 3.54Å; Y240-W259 HydrophobicContact CD2-CH2 3.54Å; Y240-W259 HydrophobicContact CD2-CZ2 4.23Å; Y240-W259 HydrophobicContact CD2-CZ3 4.32Å; Y240-W259 AromaticContact CE2-CH2 3.19Å; Y240-W259 HydrophobicContact CE2-CH2 3.19Å; Y240-W259 HydrophobicContact CE2-CZ2 4.13Å; Y240-W259 AromaticContact CE2-CZ3 3.53Å; Y240-W259 HydrophobicContact CE2-CZ3 3.53Å; Y240-V265 HydrophobicContact CD2-CG1 4.31Å; Y240-V265 HydrophobicContact CE2-CG1 3.7Å; Y240-V326 HydrophobicContact CD1-CG1 4.49Å; Y240-V326 HydrophobicContact CD2-CG1 4.49Å; Y240-V326 HydrophobicContact CD2-CG2 3.55Å; Y240-V326 HydrophobicContact CE2-CG2 4.14Å; Y240-V326 HydrophobicContact CG-CG1 4Å; Y240-V326 HydrophobicContact CG-CG2 3.91Å
241	I	67.8	Low	70.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-44.3	175.5	-68.8	-178.8	0	0	0	111.5	M163 A167 I189 V237 D238 R239 V243 C244 R245	M163-I241 HydrophobicContact CB-CD1 4.22Å; M163-I241 HydrophobicContact CB-CG2 4.08Å; M163-I241 HydrophobicContact CE-CD1 4.19Å; M163-I241 HydrophobicContact CE-CG1 4.07Å; M163-I241 HydrophobicContact CE-CG2 4.06Å; M163-I241 VanDerWaalsContact O-CD1 3.24Å; M163-I241 WeakPolarHBondContact O-CD1 3.48Å; A167-I241 HydrophobicContact CB-CD1 3.32Å; A167-I241 HydrophobicContact CB-CG1 4.43Å; I189-I241 HydrophobicContact CB-CD1 4.21Å; I189-I241 HydrophobicContact CD1-CD1 4.49Å; I189-I241 HydrophobicContact CG2-CD1 4.06Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.49Å; V237-I241 VanDerWaalsContact O-N 3.09Å; D238-I241 WeakPolarHBondContact O-CB 3.48Å; D238-I241 PolarHBondContact O-N 2.9Å; R239-I241 PolarHBondContact O-N 2.62Å; I241-V243 VanDerWaalsContact C-N 3.28Å; I241-V243 PolarHBondContact O-N 2.87Å; I241-C244 PolarHBondContact O-N 3.16Å; I241-R245 HydrophobicContact CG2-CG 4.31Å; I241-R245 WeakPolarHBondContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CD 3.24Å; I241-R245 WeakPolarHBondContact O-CG 3.37Å; I241-R245 PolarHBondContact O-N 3.47Å
242	D	70.6	Confident	70.8	Confident	20 Å²	20	30 Å²	30	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-36	177.4	-66	-25.3	0	0	0	112.4	Q164 D238 R239 R245 C246 V247 V248	Q164-D242 PolarHBondContact NE2-OD1 3.2Å; D238-D242 PolarHBondContact O-N 3.25Å; R239-D242 IonicContact NH1-OD2 2.88Å; R239-D242 PolarHBondContact O-N 3.32Å; R239-D242 VanDerWaalsContact O-N 3.11Å; D242-R245 PolarHBondContact O-N 3.49Å; D242-R245 IonicContact OD1-NH1 2.71Å; D242-C246 PolarHBondContact O-N 3.39Å; D242-V247 PolarHBondContact O-N 3.43Å; D242-V248 HydrophobicContact CB-CG2 3.39Å
243	V	69.6	Low	70.6	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-47.5	174.9	171.1	0	0	0	0	110.9	R239 Y240 I241 R245 C246 V248 M251 H256 W259 W354	R239-V243 WeakPolarHBondContact O-CG2 3.35Å; R239-V243 PolarHBondContact O-N 2.9Å; Y240-V243 PolarHBondContact O-N 2.77Å; I241-V243 VanDerWaalsContact C-N 3.28Å; I241-V243 PolarHBondContact O-N 2.87Å; V243-R245 PolarHBondContact O-N 2.77Å; V243-C246 PolarHBondContact O-N 3.49Å; V243-V248 HydrophobicContact CG2-CB 4.03Å; V243-V248 HydrophobicContact CG2-CG1 4.07Å; V243-V248 HydrophobicContact CG2-CG2 4.28Å; V243-M251 HydrophobicContact CB-CE 4.21Å; V243-M251 HydrophobicContact CG1-CE 3.7Å; V243-M251 HydrophobicContact CG2-CE 3.61Å; V243-M251 HydrophobicContact CG2-SD 3.93Å; V243-H256 HydrophobicContact CG1-CB 3.87Å; V243-W259 HydrophobicContact CG1-CH2 3.88Å; V243-W259 HydrophobicContact CG1-CZ2 3.62Å; V243-W354 HydrophobicContact CG2-CZ3 4.11Å
244	C	65.2	Low	70.2	Confident	41 Å²	41	35.4 Å²	35.4	28%	0.277	21%	0.206	S	C	.	.	H	α-helix	trans	-60.1	-25.9	174	-71.4	0	0	0	0	113.1	Y240 I241 C246 W259	Y240-C244 VanDerWaalsContact CE1-SG 3.51Å; Y240-C244 WeakPolarHBondContact O-CB 3.36Å; Y240-C244 PolarHBondContact O-N 3.32Å; Y240-C244 PolarHBondContact O-SG 2.92Å; I241-C244 PolarHBondContact O-N 3.16Å; C244-C246 VanDerWaalsContact C-N 3.3Å; C244-W259 VanDerWaalsContact SG-CZ3 3.52Å
245	R	64.8	Low	69.8	Low	61 Å²	61	36 Å²	36	23%	0.23	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	2.1	176.5	-69.1	169.2	57.7	-167.6	-3.8	113.1	N160 I241 D242 V243 V247	N160-R245 VanDerWaalsContact CB-NE 3.35Å; N160-R245 PolarHBondContact ND2-NE 2.7Å; N160-R245 WeakPolarHBondContact OD1-CD 3.46Å; N160-R245 WeakPolarHBondContact OD1-CG 3.48Å; N160-R245 PolarHBondContact OD1-NE 3.35Å; I241-R245 HydrophobicContact CG2-CG 4.31Å; I241-R245 WeakPolarHBondContact O-CB 3.31Å; I241-R245 WeakPolarHBondContact O-CD 3.24Å; I241-R245 WeakPolarHBondContact O-CG 3.37Å; I241-R245 PolarHBondContact O-N 3.47Å; D242-R245 PolarHBondContact O-N 3.49Å; D242-R245 IonicContact OD1-NH1 2.71Å; V243-R245 PolarHBondContact O-N 2.77Å; R245-V247 HydrophobicContact CB-CG2 3.7Å; R245-V247 PolarHBondContact O-N 3.26Å; R245-V247 VanDerWaalsContact O-N 3.09Å
246	C	61.2	Low	69.2	Low	87 Å²	87	39.6 Å²	39.6	59%	0.588	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	25.9	-174.7	-54.2	0	0	0	0	113.7	D242 V243 C244 V248	D242-C246 PolarHBondContact O-N 3.39Å; V243-C246 PolarHBondContact O-N 3.49Å; C244-C246 VanDerWaalsContact C-N 3.3Å; C246-V248 PolarHBondContact O-N 3.48Å
247	V	63.9	Low	68.5	Low	92 Å²	92	46.5 Å²	46.5	56%	0.558	26%	0.264	S	S	*	.			trans	-81.4	-10.3	177.9	-177.4	0	0	0	0	110.9	D242 R245	D242-V247 PolarHBondContact O-N 3.43Å; R245-V247 HydrophobicContact CB-CG2 3.7Å; R245-V247 PolarHBondContact O-N 3.26Å; R245-V247 VanDerWaalsContact O-N 3.09Å
248	V	60.7	Low	68.1	Low	23 Å²	23	52.2 Å²	52.2	14%	0.139	29%	0.286	C	S	.	.	S	Bend	trans	-116.4	128.5	-169	176.9	0	0	0	0	109.7	R239 D242 V243 C246 W354	R239-V248 VanDerWaalsContact NH1-CG2 3.35Å; D242-V248 HydrophobicContact CB-CG2 3.39Å; V243-V248 HydrophobicContact CG2-CB 4.03Å; V243-V248 HydrophobicContact CG2-CG1 4.07Å; V243-V248 HydrophobicContact CG2-CG2 4.28Å; C246-V248 PolarHBondContact O-N 3.48Å; V248-W354 HydrophobicContact CG1-CH2 3.12Å; V248-W354 HydrophobicContact CG1-CZ2 4.22Å; V248-W354 HydrophobicContact CG1-CZ3 3.58Å
249	S	57.4	Low	67.7	Low	125 Å²	125	54.2 Å²	54.2	87%	0.874	29%	0.293	S	S	*	.			trans	-84.1	-28.1	-158.3	46.7	0	0	0	0	116.4
250	D	66.4	Low	66.9	Low	99 Å²	99	56 Å²	56	53%	0.529	31%	0.306	S	S	.	.			trans	-171.2	126.1	175.5	-156.4	-7.4	0	0	0	111.8	G252 S255 W354	D250-G252 WeakPolarHBondContact OD1-CA 3.15Å; D250-G252 PolarHBondContact OD1-N 3.39Å; D250-S255 PolarHBondContact OD1-OG 3.02Å; D250-W354 WeakPolarHBondContact O-CZ2 3.37Å
251	M	68.7	Low	65.6	Low	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.33	C	S	.	.			trans	-107.4	19.6	165	-71.3	-160.6	-59.6	0	0	112.3	I235 V243 E253 F254 S255 W259 L324 W354 L360	I235-M251 HydrophobicContact CD1-CE 4.23Å; I235-M251 HydrophobicContact CD1-SD 4.48Å; I235-M251 HydrophobicContact CG2-SD 3.87Å; V243-M251 HydrophobicContact CB-CE 4.21Å; V243-M251 HydrophobicContact CG1-CE 3.7Å; V243-M251 HydrophobicContact CG2-CE 3.61Å; V243-M251 HydrophobicContact CG2-SD 3.93Å; M251-E253 PolarHBondContact O-N 3.5Å; M251-F254 HydrophobicContact CB-CB 4.03Å; M251-F254 HydrophobicContact CE-CB 4.28Å; M251-F254 WeakPolarHBondContact CE-O 3.24Å; M251-F254 PolarHBondContact O-N 2.89Å; M251-S255 WeakPolarHBondContact CA-OG 3.11Å; M251-S255 PolarHBondContact N-OG 2.72Å; M251-W259 HydrophobicContact CE-CZ2 4.37Å; M251-L324 HydrophobicContact CE-CD2 4.35Å; M251-W354 HydrophobicContact CB-CH2 4.39Å; M251-W354 HydrophobicContact CB-CZ3 4.48Å; M251-W354 HydrophobicContact CG-CD2 3.95Å; M251-W354 HydrophobicContact CG-CE3 3.45Å; M251-W354 VanDerWaalsContact CG-CE3 3.45Å; M251-W354 HydrophobicContact CG-CH2 3.13Å; M251-W354 HydrophobicContact CG-CZ2 3.8Å; M251-W354 HydrophobicContact CG-CZ3 3.01Å; M251-W354 HydrophobicContact SD-CD2 3.98Å; M251-W354 HydrophobicContact SD-CE3 3.12Å; M251-W354 HydrophobicContact SD-CH2 3.92Å; M251-W354 HydrophobicContact SD-CZ3 3.1Å; M251-W354 WeakPolarHBondContact SD-CZ3 3.05Å; M251-L360 HydrophobicContact CB-CD1 4.17Å; M251-L360 WeakPolarHBondContact O-CD1 3.25Å; M251-L360 WeakPolarHBondContact O-CD2 3.14Å
252	G	73.5	Confident	65	Low	24 Å²	24	62.2 Å²	62.2	25%	0.247	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	59.1	-130.1	-170.6	0	0	0	0	0	110.5	D250 F254 S255 Y258	D250-G252 WeakPolarHBondContact OD1-CA 3.15Å; D250-G252 PolarHBondContact OD1-N 3.39Å; G252-F254 PolarHBondContact O-N 2.96Å; G252-F254 VanDerWaalsContact O-N 3.08Å; G252-S255 PolarHBondContact N-OG 3.17Å; G252-S255 WeakPolarHBondContact O-CB 3.38Å; G252-S255 PolarHBondContact O-N 3.35Å; G252-S255 PolarHBondContact O-OG 2.9Å; G252-Y258 WeakPolarHBondContact O-CD2 3.35Å; G252-Y258 WeakPolarHBondContact O-CE2 2.79Å
253	E	69.3	Low	64.5	Low	111 Å²	111	61.5 Å²	61.5	52%	0.519	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-68.3	-6.5	-179.2	-57.9	-172.7	-178	0	0	114	M251 R322	M251-E253 PolarHBondContact O-N 3.5Å; E253-R322 PolarHBondContact O-NH1 2.88Å
254	F	71.3	Confident	63.9	Low	3 Å²	3	61.2 Å²	61.2	1%	0.013	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-99	2.5	173.9	-66	-88	0	0	0	112.9	E231 M233 M251 G252 W259 R322 V323 L324 P363	E231-F254 HydrophobicContact CB-CZ 4.39Å; M233-F254 HydrophobicContact CB-CD1 4.18Å; M233-F254 HydrophobicContact CB-CD2 4.1Å; M233-F254 HydrophobicContact CB-CE1 4.04Å; M233-F254 HydrophobicContact CB-CE2 3.99Å; M233-F254 HydrophobicContact CB-CG 4.2Å; M233-F254 HydrophobicContact CB-CZ 3.95Å; M233-F254 HydrophobicContact CE-CD2 3.79Å; M233-F254 HydrophobicContact CE-CE2 3.99Å; M233-F254 HydrophobicContact SD-CD2 4.13Å; M233-F254 HydrophobicContact SD-CG 4.43Å; M251-F254 HydrophobicContact CB-CB 4.03Å; M251-F254 HydrophobicContact CE-CB 4.28Å; M251-F254 WeakPolarHBondContact CE-O 3.24Å; M251-F254 PolarHBondContact O-N 2.89Å; G252-F254 PolarHBondContact O-N 2.96Å; G252-F254 VanDerWaalsContact O-N 3.08Å; F254-W259 PolarHBondContact O-NE1 2.79Å; F254-R322 HydrophobicContact CE1-CB 3.99Å; F254-R322 HydrophobicContact CZ-CB 4.27Å; F254-R322 HydrophobicContact CZ-CG 4.41Å; F254-V323 WeakPolarHBondContact CE1-O 3.36Å; F254-L324 HydrophobicContact CB-CD1 4.49Å; F254-L324 HydrophobicContact CD1-CB 4.26Å; F254-L324 HydrophobicContact CD1-CD1 4.12Å; F254-P363 HydrophobicContact CE2-CB 3.88Å; F254-P363 HydrophobicContact CE2-CG 4.28Å; F254-P363 HydrophobicContact CZ-CB 4.21Å
255	S	72.2	Confident	63.7	Low	13 Å²	13	59.9 Å²	59.9	9%	0.091	32%	0.32	C	S	.	.	S	Bend	trans	-60.9	152.4	176.6	-59.5	0	0	0	0	111.5	D250 M251 G252 D257 Y258 W259	D250-S255 PolarHBondContact OD1-OG 3.02Å; M251-S255 WeakPolarHBondContact CA-OG 3.11Å; M251-S255 PolarHBondContact N-OG 2.72Å; G252-S255 PolarHBondContact N-OG 3.17Å; G252-S255 WeakPolarHBondContact O-CB 3.38Å; G252-S255 PolarHBondContact O-N 3.35Å; G252-S255 PolarHBondContact O-OG 2.9Å; S255-D257 PolarHBondContact O-N 3.21Å; S255-D257 VanDerWaalsContact O-N 3.11Å; S255-Y258 PolarHBondContact O-N 3Å; S255-W259 PolarHBondContact O-NE1 3.29Å
256	H	68.4	Low	63.5	Low	76 Å²	76	57 Å²	57	35%	0.352	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-52	-36.4	179.8	-176	-95.3	0	0	0	112.6	V243 Y258 W259	V243-H256 HydrophobicContact CG1-CB 3.87Å; H256-Y258 PolarHBondContact O-N 3.28Å; H256-W259 AromaticContact CD2-CE3 3.48Å; H256-W259 VanDerWaalsContact CD2-CE3 3.48Å; H256-W259 AromaticContact CD2-CZ3 3.57Å; H256-W259 WeakPolarHBondContact O-CB 3.25Å; H256-W259 PolarHBondContact O-N 3.19Å
257	D	67.6	Low	63.4	Low	144 Å²	144	53.2 Å²	53.2	77%	0.77	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20.9	178.8	-59.2	-22.2	0	0	0	113.7	S255	S255-D257 PolarHBondContact O-N 3.21Å; S255-D257 VanDerWaalsContact O-N 3.11Å
258	Y	66.1	Low	63.3	Low	120 Å²	120	49 Å²	49	47%	0.471	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-100	4.1	176	-59.3	-81.5	0	0	0	113.5	G252 S255 H256 D260 V263 R322	G252-Y258 WeakPolarHBondContact O-CD2 3.35Å; G252-Y258 WeakPolarHBondContact O-CE2 2.79Å; S255-Y258 PolarHBondContact O-N 3Å; H256-Y258 PolarHBondContact O-N 3.28Å; Y258-D260 PolarHBondContact O-N 3.45Å; Y258-V263 WeakPolarHBondContact O-CG2 3.49Å; Y258-R322 PolarHBondContact O-NH1 2.87Å
259	W	65.5	Low	63.3	Low	48 Å²	48	48.9 Å²	48.9	18%	0.182	26%	0.255	C	S	.	.			trans	-74.5	72.8	177.1	-68.6	6.7	0	0	0	110.5	Y240 V243 C244 M251 F254 S255 H256 V265 L324	Y240-W259 AromaticContact CD2-CH2 3.54Å; Y240-W259 HydrophobicContact CD2-CH2 3.54Å; Y240-W259 HydrophobicContact CD2-CZ2 4.23Å; Y240-W259 HydrophobicContact CD2-CZ3 4.32Å; Y240-W259 AromaticContact CE2-CH2 3.19Å; Y240-W259 HydrophobicContact CE2-CH2 3.19Å; Y240-W259 HydrophobicContact CE2-CZ2 4.13Å; Y240-W259 AromaticContact CE2-CZ3 3.53Å; Y240-W259 HydrophobicContact CE2-CZ3 3.53Å; V243-W259 HydrophobicContact CG1-CH2 3.88Å; V243-W259 HydrophobicContact CG1-CZ2 3.62Å; C244-W259 VanDerWaalsContact SG-CZ3 3.52Å; M251-W259 HydrophobicContact CE-CZ2 4.37Å; F254-W259 PolarHBondContact O-NE1 2.79Å; S255-W259 PolarHBondContact O-NE1 3.29Å; H256-W259 AromaticContact CD2-CE3 3.48Å; H256-W259 VanDerWaalsContact CD2-CE3 3.48Å; H256-W259 AromaticContact CD2-CZ3 3.57Å; H256-W259 WeakPolarHBondContact O-CB 3.25Å; H256-W259 PolarHBondContact O-N 3.19Å; W259-V265 HydrophobicContact CD2-CG2 4.46Å; W259-L324 HydrophobicContact CH2-CD2 4.35Å; W259-L324 HydrophobicContact CZ2-CD2 3.43Å; W259-L324 VanDerWaalsContact CZ2-CD2 3.43Å
260	D	59.7	Low	63.7	Low	77 Å²	77	43.5 Å²	43.5	41%	0.412	22%	0.217	S	C	.	.	S	Bend	trans	-101.9	-163.5	174.9	73.1	-4.5	0	0	0	111	Y258 S262 V263 R322	Y258-D260 PolarHBondContact O-N 3.45Å; D260-S262 PolarHBondContact O-N 2.84Å; D260-S262 VanDerWaalsContact O-N 3.1Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.02Å; D260-S262 PolarHBondContact OD1-OG 2.74Å; D260-V263 PolarHBondContact O-N 2.96Å; D260-R322 IonicContact OD1-NH2 3.27Å
261	K	47	Very low	63.3	Low	123 Å²	123	40.1 Å²	40.1	54%	0.535	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.8	176.6	61.2	179.3	179.6	179.2	0	114.6
262	S	56.5	Low	62.5	Low	11 Å²	11	41.5 Å²	41.5	8%	0.077	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.5	-177.9	103.2	0	0	0	0	112.7	D260 P320 E321 R322	D260-S262 PolarHBondContact O-N 2.84Å; D260-S262 VanDerWaalsContact O-N 3.1Å; D260-S262 WeakPolarHBondContact OD1-CB 3.33Å; D260-S262 PolarHBondContact OD1-N 3.02Å; D260-S262 PolarHBondContact OD1-OG 2.74Å; S262-P320 CarbonylContact O-C 2.94Å; S262-P320 WeakPolarHBondContact O-CA 3.45Å; S262-P320 WeakPolarHBondContact O-CB 3.2Å; S262-E321 PolarHBondContact O-N 3.03Å; S262-R322 PolarHBondContact O-N 3.14Å; S262-R322 VanDerWaalsContact OG-CZ 3.3Å; S262-R322 PolarHBondContact OG-NE 3.28Å; S262-R322 PolarHBondContact OG-NH2 2.76Å
263	V	58.9	Low	61.3	Low	6 Å²	6	48 Å²	48	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.6	179.3	-175	0	0	0	0	110.4	Y258 D260 V265 R322	Y258-V263 WeakPolarHBondContact O-CG2 3.49Å; D260-V263 PolarHBondContact O-N 2.96Å; V263-V265 HydrophobicContact CG1-CG2 4.48Å; V263-R322 CarbonylContact C-O 3.21Å; V263-R322 WeakPolarHBondContact CA-O 3.38Å; V263-R322 HydrophobicContact CG2-CB 4.09Å; V263-R322 VanDerWaalsContact CG2-NH1 3.28Å
264	A	57.7	Low	59.8	Low	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.5	168.4	0	0	0	0	0	110.8	I266 L285 P320 R322 V323 L324	A264-I266 HydrophobicContact CB-CG1 4.46Å; A264-L285 HydrophobicContact CB-CD2 3.32Å; A264-P320 HydrophobicContact CB-CB 3.87Å; A264-P320 HydrophobicContact CB-CG 3.83Å; A264-R322 PolarHBondContact N-O 3.2Å; A264-V323 CarbonylContact O-C 3.54Å; A264-V323 WeakPolarHBondContact O-CA 3.47Å; A264-L324 PolarHBondContact O-N 3.47Å
265	V	60.8	Low	58.3	Low	13 Å²	13	48.4 Å²	48.4	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.5	173.3	-176	0	0	0	0	108.8	R84 Y240 W259 V263 L324 V326	R84-V265 PolarHBondContact N-O 3.25Å; R84-V265 PolarHBondContact O-N 3Å; Y240-V265 HydrophobicContact CD2-CG1 4.31Å; Y240-V265 HydrophobicContact CE2-CG1 3.7Å; W259-V265 HydrophobicContact CD2-CG2 4.46Å; V263-V265 HydrophobicContact CG1-CG2 4.48Å; V265-L324 WeakPolarHBondContact CA-O 3.49Å; V265-L324 HydrophobicContact CG2-CB 4.38Å; V265-L324 HydrophobicContact CG2-CD2 4.42Å; V265-V326 HydrophobicContact CG1-CG2 3.63Å
266	I	60.6	Low	56.8	Low	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.7	-171.8	-52.2	177	0	0	0	109.7	L83 A264 V268 L277 T281 L285 V323 L324 F325 V326	L83-I266 HydrophobicContact CD1-CD1 3.59Å; L83-I266 HydrophobicContact CD1-CG1 4Å; A264-I266 HydrophobicContact CB-CG1 4.46Å; I266-V268 HydrophobicContact CG2-CG1 3.97Å; I266-V268 PolarHBondContact O-N 3.35Å; I266-L277 HydrophobicContact CG2-CD2 4.36Å; I266-T281 HydrophobicContact CD1-CG2 3.45Å; I266-T281 VanDerWaalsContact CD1-CG2 3.45Å; I266-L285 HydrophobicContact CD1-CD2 4.42Å; I266-V323 HydrophobicContact CD1-CG1 3.71Å; I266-V323 HydrophobicContact CG1-CG1 4.32Å; I266-L324 PolarHBondContact N-O 2.79Å; I266-F325 HydrophobicContact CB-CD1 4.05Å; I266-F325 HydrophobicContact CB-CE1 4.29Å; I266-F325 HydrophobicContact CD1-CE1 4Å; I266-F325 HydrophobicContact CG2-CD1 4.36Å; I266-F325 HydrophobicContact CG2-CE1 4.42Å; I266-F325 CarbonylContact O-C 3.43Å; I266-F325 WeakPolarHBondContact O-CA 3.32Å; I266-V326 PolarHBondContact O-N 2.96Å
267	P	58.8	Low	55.5	Low	7 Å²	7	47.6 Å²	47.6	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.5	169.8	26.3	-27.7	0	0	0	110	F82 L186 M191 V326 V328	F82-P267 HydrophobicContact CB-CG 3.88Å; F82-P267 HydrophobicContact CD2-CG 3.86Å; F82-P267 HydrophobicContact CG-CG 4.38Å; F82-P267 WeakPolarHBondContact O-CD 3.28Å; L186-P267 HydrophobicContact CD1-CB 4.16Å; L186-P267 HydrophobicContact CD1-CG 4.38Å; M191-P267 HydrophobicContact CE-CB 3.66Å; M191-P267 HydrophobicContact CE-CG 4.32Å; P267-V326 CarbonylContact C-O 3.44Å; P267-V326 WeakPolarHBondContact CA-O 3.38Å; P267-V328 HydrophobicContact CB-CG1 3.62Å
268	V	61.8	Low	54.3	Low	4 Å²	4	41.1 Å²	41.1	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.9	176.7	-61	0	0	0	0	110.2	I266 L277 F325 V326 L327 V328 W340	I266-V268 HydrophobicContact CG2-CG1 3.97Å; I266-V268 PolarHBondContact O-N 3.35Å; V268-L277 HydrophobicContact CB-CD1 4.38Å; V268-L277 HydrophobicContact CG1-CD1 3.82Å; V268-L277 HydrophobicContact CG1-CD2 3.48Å; V268-L277 VanDerWaalsContact CG1-CD2 3.48Å; V268-L277 HydrophobicContact CG1-CG 4.34Å; V268-F325 HydrophobicContact CG1-CD1 3.66Å; V268-F325 HydrophobicContact CG1-CE1 4.26Å; V268-F325 HydrophobicContact CG2-CB 3.96Å; V268-F325 HydrophobicContact CG2-CD1 4.26Å; V268-V326 PolarHBondContact N-O 2.91Å; V268-V326 VanDerWaalsContact O-O 3.04Å; V268-L327 HydrophobicContact CG2-CD2 3.59Å; V268-L327 CarbonylContact O-C 3.54Å; V268-L327 VanDerWaalsContact O-CA 3.28Å; V268-L327 WeakPolarHBondContact O-CA 3.36Å; V268-V328 PolarHBondContact O-N 3.2Å; V268-W340 HydrophobicContact CB-CH2 4.28Å; V268-W340 HydrophobicContact CB-CZ2 4.21Å; V268-W340 HydrophobicContact CG1-CH2 4.25Å; V268-W340 HydrophobicContact CG2-CH2 3.93Å; V268-W340 HydrophobicContact CG2-CZ2 3.93Å; V268-W340 HydrophobicContact CG2-CZ3 4.3Å
269	R	62.1	Low	53.2	Low	21 Å²	21	35.5 Å²	35.5	8%	0.079	16%	0.158	C	C	.	.			trans	-88.2	128	167.7	-71.4	-175.5	176.7	179.8	3.3	109.7	R175 S177 S271 D272 V328 D329	R175-R269 PolarHBondContact O-NH1 3.16Å; S177-R269 PolarHBondContact O-NH2 3.4Å; S177-R269 PolarHBondContact OG-NH2 2.96Å; R269-S271 PolarHBondContact O-N 3.14Å; R269-D272 HydrophobicContact CB-CB 4.43Å; R269-D272 WeakPolarHBondContact O-CB 3.49Å; R269-D272 PolarHBondContact O-N 3.08Å; R269-V328 HydrophobicContact CG-CG2 3.57Å; R269-D329 WeakPolarHBondContact CA-OD1 3.34Å; R269-D329 HydrophobicContact CG-CB 4.43Å
270	A	64.6	Low	52	Low	11 Å²	11	36 Å²	36	9%	0.091	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.7	169.8	0	0	0	0	0	112.4	D272 L327 D329 A330 F337	A270-D272 PolarHBondContact O-N 2.91Å; A270-L327 HydrophobicContact CB-CB 4.36Å; A270-L327 HydrophobicContact CB-CD1 4.24Å; A270-L327 HydrophobicContact CB-CD2 4.33Å; A270-D329 WeakPolarHBondContact CA-OD1 3.42Å; A270-D329 WeakPolarHBondContact CB-OD1 2.89Å; A270-D329 PolarHBondContact N-OD1 3.24Å; A270-D329 PolarHBondContact N-OD2 3.38Å; A270-A330 HydrophobicContact CB-CB 4.29Å; A270-F337 HydrophobicContact CB-CE1 3.63Å; A270-F337 HydrophobicContact CB-CZ 3.75Å
271	S	58.4	Low	51.2	Low	28 Å²	28	32.6 Å²	32.6	20%	0.196	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.5	174.7	69.1	0	0	0	0	114.1	R269 R273 D329	R269-S271 PolarHBondContact O-N 3.14Å; S271-R273 PolarHBondContact O-N 3.44Å; S271-D329 WeakPolarHBondContact CB-OD2 3.47Å; S271-D329 PolarHBondContact N-OD2 3.08Å; S271-D329 PolarHBondContact OG-OD2 3.1Å
272	D	51	Low	51	Low	32 Å²	32	26.9 Å²	26.9	17%	0.171	12%	0.118	C	C	.	.	S	Bend	trans	-74	98.8	174.3	-63.4	-4.2	0	0	0	105	R269 A270 G274 W340	R269-D272 HydrophobicContact CB-CB 4.43Å; R269-D272 WeakPolarHBondContact O-CB 3.49Å; R269-D272 PolarHBondContact O-N 3.08Å; A270-D272 PolarHBondContact O-N 2.91Å; D272-G274 PolarHBondContact O-N 2.86Å; D272-W340 PolarHBondContact O-NE1 3.5Å
273	R	48.4	Very low	50.3	Low	159 Å²	159	26.9 Å²	26.9	60%	0.6	12%	0.118	S	C	*	.			trans	-66.6	60.7	170.7	-66.6	-175.4	175.4	-178.1	-1.7	109.2	S271 R275 R341 G343	S271-R273 PolarHBondContact O-N 3.44Å; R273-R275 WeakPolarHBondContact O-CG 3.47Å; R273-R275 PolarHBondContact O-N 3.29Å; R273-R341 CarbonylContact C-O 3.58Å; R273-G343 VanDerWaalsContact C-N 3.33Å; R273-G343 CarbonylContact C-O 3.51Å; R273-G343 CarbonylContact O-C 3.55Å; R273-G343 VanDerWaalsContact O-CA 3.25Å; R273-G343 WeakPolarHBondContact O-CA 3.36Å; R273-G343 PolarHBondContact O-N 3.43Å
274	G	38.7	Very low	49.4	Very low	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.125	C	C	.	.			trans	7.9	43.7	-171.2	0	0	0	0	0	120.1	D272 W276 G343	D272-G274 PolarHBondContact O-N 2.86Å; G274-W276 PolarHBondContact O-N 3.24Å; G274-W276 VanDerWaalsContact O-N 3.1Å; G274-G343 VanDerWaalsContact C-CA 3.49Å; G274-G343 VanDerWaalsContact C-N 3.27Å; G274-G343 VanDerWaalsContact N-N 3.18Å; G274-G343 WeakPolarHBondContact O-CA 3.18Å; G274-G343 PolarHBondContact O-N 3.36Å
275	R	39.8	Very low	48.6	Very low	123 Å²	123	28.6 Å²	28.6	46%	0.464	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.5	-173.8	-70	-175.9	176.1	-174.4	-1.8	113.6	R273 Q395	R273-R275 WeakPolarHBondContact O-CG 3.47Å; R273-R275 PolarHBondContact O-N 3.29Å; R275-Q395 VanDerWaalsContact CD-OE1 3.24Å
276	W	39.8	Very low	47.6	Very low	73 Å²	73	28.1 Å²	28.1	28%	0.277	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-10.3	-172.2	56.1	-87.5	0	0	0	113.4	T79 S81 G274 P279	T79-W276 VanDerWaalsContact C-CH2 3.47Å; T79-W276 VanDerWaalsContact CB-CZ2 3.43Å; T79-W276 WeakPolarHBondContact O-CH2 3.38Å; T79-W276 WeakPolarHBondContact O-CZ3 3.33Å; T79-W276 VanDerWaalsContact OG1-CE2 3.24Å; T79-W276 WeakPolarHBondContact OG1-CZ2 3.27Å; T79-W276 PolarHBondContact OG1-NE1 3.03Å; S81-W276 VanDerWaalsContact OG-CH2 3.22Å; S81-W276 WeakPolarHBondContact OG-CH2 3.49Å; S81-W276 WeakPolarHBondContact OG-CZ3 3.29Å; G274-W276 PolarHBondContact O-N 3.24Å; G274-W276 VanDerWaalsContact O-N 3.1Å; W276-P279 WeakPolarHBondContact O-CD 3.45Å
277	L	41.8	Very low	46.5	Very low	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-78.3	-35.1	-173.8	-116.3	125.7	0	0	0	112.6	I266 V268 Y280 T281 F325	I266-L277 HydrophobicContact CG2-CD2 4.36Å; V268-L277 HydrophobicContact CB-CD1 4.38Å; V268-L277 HydrophobicContact CG1-CD1 3.82Å; V268-L277 HydrophobicContact CG1-CD2 3.48Å; V268-L277 VanDerWaalsContact CG1-CD2 3.48Å; V268-L277 HydrophobicContact CG1-CG 4.34Å; L277-Y280 PolarHBondContact O-N 3.49Å; L277-T281 WeakPolarHBondContact CD2-OG1 3.46Å; L277-T281 WeakPolarHBondContact O-CB 3.39Å; L277-T281 PolarHBondContact O-N 3.14Å; L277-T281 PolarHBondContact O-OG1 3.39Å; L277-F325 HydrophobicContact CD2-CD1 4.37Å; L277-F325 HydrophobicContact CD2-CE1 3.75Å
278	I	43.1	Very low	45.2	Very low	7 Å²	7	32.3 Å²	32.3	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-55.1	-175.6	-53.2	177.6	0	0	0	110.9	Y280 T281 F282 C342 V349 F370 W373	I278-Y280 PolarHBondContact O-N 3.43Å; I278-T281 PolarHBondContact O-N 3.3Å; I278-F282 HydrophobicContact CG2-CD2 4.48Å; I278-F282 VanDerWaalsContact O-CB 3.24Å; I278-F282 WeakPolarHBondContact O-CB 3.29Å; I278-F282 PolarHBondContact O-N 3.25Å; I278-C342 HydrophobicContact CG1-CB 4.45Å; I278-C342 WeakPolarHBondContact CG1-SG 3.36Å; I278-V349 HydrophobicContact CD1-CG2 3.85Å; I278-F370 HydrophobicContact CG2-CB 4.23Å; I278-F370 HydrophobicContact CG2-CD2 4.15Å; I278-W373 HydrophobicContact CD1-CB 4.43Å
279	P	41.5	Very low	43.8	Very low	3 Å²	3	33.4 Å²	33.4	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-40.2	-172.7	-18.9	32.6	0	0	0	112.9	W276 F282 A283 F370 W373 M406	W276-P279 WeakPolarHBondContact O-CD 3.45Å; P279-F282 PolarHBondContact O-N 3.47Å; P279-A283 WeakPolarHBondContact O-CB 3.19Å; P279-A283 PolarHBondContact O-N 2.93Å; P279-F370 HydrophobicContact CB-CE2 4.17Å; P279-W373 HydrophobicContact CB-CH2 4.31Å; P279-W373 HydrophobicContact CB-CZ3 4.29Å; P279-W373 HydrophobicContact CG-CD2 4.31Å; P279-W373 HydrophobicContact CG-CE3 3.97Å; P279-W373 HydrophobicContact CG-CH2 3.3Å; P279-W373 HydrophobicContact CG-CZ2 3.64Å; P279-W373 HydrophobicContact CG-CZ3 3.48Å; P279-W373 VanDerWaalsContact CG-CZ3 3.48Å; P279-M406 HydrophobicContact CB-SD 3.63Å; P279-M406 HydrophobicContact CG-SD 4.01Å
280	Y	41	Very low	42.3	Very low	59 Å²	59	33.4 Å²	33.4	23%	0.231	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-46.4	-178	-161.2	-95.9	0	0	0	111.2	T100 L277 I278 F282 A283 H284	T100-Y280 HydrophobicContact CG2-CE1 3.78Å; T100-Y280 HydrophobicContact CG2-CE2 3.76Å; T100-Y280 VanDerWaalsContact CG2-OH 3.23Å; T100-Y280 WeakPolarHBondContact CG2-OH 3.1Å; L277-Y280 PolarHBondContact O-N 3.49Å; I278-Y280 PolarHBondContact O-N 3.43Å; Y280-F282 VanDerWaalsContact C-N 3.34Å; Y280-F282 PolarHBondContact O-N 2.79Å; Y280-A283 PolarHBondContact O-N 3.46Å; Y280-H284 AromaticContact CD1-CD2 3.82Å; Y280-H284 AromaticContact CE1-CD2 3.56Å; Y280-H284 AromaticContact CE1-NE2 3.73Å; Y280-H284 AromaticContact CE2-NE2 3.6Å; Y280-H284 AromaticContact CZ-CD2 3.65Å; Y280-H284 AromaticContact CZ-NE2 3.3Å; Y280-H284 VanDerWaalsContact CZ-NE2 3.3Å; Y280-H284 PolarHBondContact O-CD2 2.92Å; Y280-H284 VanDerWaalsContact O-CD2 3.22Å; Y280-H284 PolarHBondContact O-N 2.86Å; Y280-H284 PolarHBondContact OH-NE2 3.49Å
281	T	42.9	Very low	40.7	Very low	4 Å²	4	35.3 Å²	35.3	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-45.3	175.7	-49.3	0	0	0	0	109.2	I266 L277 I278 A283 H284 L285 V323 F325	I266-T281 HydrophobicContact CD1-CG2 3.45Å; I266-T281 VanDerWaalsContact CD1-CG2 3.45Å; L277-T281 WeakPolarHBondContact CD2-OG1 3.46Å; L277-T281 WeakPolarHBondContact O-CB 3.39Å; L277-T281 PolarHBondContact O-N 3.14Å; L277-T281 PolarHBondContact O-OG1 3.39Å; I278-T281 PolarHBondContact O-N 3.3Å; T281-A283 PolarHBondContact O-N 3.36Å; T281-H284 PolarHBondContact O-N 2.92Å; T281-L285 HydrophobicContact CG2-CD1 3.15Å; T281-L285 HydrophobicContact CG2-CG 3.92Å; T281-L285 VanDerWaalsContact O-CB 3.25Å; T281-L285 WeakPolarHBondContact O-CB 3.3Å; T281-L285 WeakPolarHBondContact O-CD1 3.43Å; T281-L285 WeakPolarHBondContact O-CG 2.94Å; T281-L285 PolarHBondContact O-N 2.98Å; T281-V323 HydrophobicContact CG2-CG1 4.47Å; T281-F325 HydrophobicContact CG2-CE1 4.05Å; T281-F325 HydrophobicContact CG2-CZ 3.84Å
282	F	43.3	Very low	39.3	Very low	4 Å²	4	36.9 Å²	36.9	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-48.4	177.7	-130.8	-89.2	0	0	0	113.4	I278 P279 Y280 H284 L285 T286 L366 E367 F370 F415	I278-F282 HydrophobicContact CG2-CD2 4.48Å; I278-F282 VanDerWaalsContact O-CB 3.24Å; I278-F282 WeakPolarHBondContact O-CB 3.29Å; I278-F282 PolarHBondContact O-N 3.25Å; P279-F282 PolarHBondContact O-N 3.47Å; Y280-F282 VanDerWaalsContact C-N 3.34Å; Y280-F282 PolarHBondContact O-N 2.79Å; F282-H284 VanDerWaalsContact C-N 3.27Å; F282-H284 PolarHBondContact O-N 2.75Å; F282-L285 PolarHBondContact O-N 3.46Å; F282-T286 HydrophobicContact CD1-CG2 3.99Å; F282-T286 HydrophobicContact CE1-CG2 3.72Å; F282-T286 HydrophobicContact CZ-CG2 4.24Å; F282-T286 PolarHBondContact O-N 3.47Å; F282-T286 PolarHBondContact O-OG1 2.74Å; F282-L366 HydrophobicContact CD2-CB 4.06Å; F282-L366 HydrophobicContact CE2-CB 3.41Å; F282-L366 VanDerWaalsContact CE2-CB 3.41Å; F282-L366 WeakPolarHBondContact CE2-O 3.26Å; F282-L366 HydrophobicContact CZ-CB 4.38Å; F282-E367 HydrophobicContact CE2-CB 4.47Å; F282-E367 HydrophobicContact CZ-CB 3.71Å; F282-E367 HydrophobicContact CZ-CG 4.19Å; F282-F370 HydrophobicContact CB-CD2 3.71Å; F282-F370 HydrophobicContact CB-CE2 4.07Å; F282-F370 HydrophobicContact CB-CG 4.24Å; F282-F370 HydrophobicContact CD1-CB 4.19Å; F282-F370 HydrophobicContact CD1-CD1 4.22Å; F282-F370 HydrophobicContact CD1-CD2 4.25Å; F282-F370 AromaticContact CD1-CG 3.95Å; F282-F370 HydrophobicContact CD1-CG 3.95Å; F282-F370 HydrophobicContact CD2-CB 3.73Å; F282-F370 HydrophobicContact CD2-CD2 4.29Å; F282-F370 HydrophobicContact CD2-CG 4.16Å; F282-F370 HydrophobicContact CE1-CB 4.34Å; F282-F370 HydrophobicContact CE1-CG 4.46Å; F282-F370 HydrophobicContact CE2-CB 3.9Å; F282-F370 HydrophobicContact CG-CB 3.91Å; F282-F370 AromaticContact CG-CD2 3.8Å; F282-F370 HydrophobicContact CG-CD2 3.8Å; F282-F370 HydrophobicContact CG-CE2 4.48Å; F282-F370 AromaticContact CG-CG 3.81Å; F282-F370 HydrophobicContact CG-CG 3.81Å; F282-F370 HydrophobicContact CZ-CB 4.25Å; F282-F415 HydrophobicContact CD1-CE2 4.27Å; F282-F415 HydrophobicContact CD1-CZ 4.19Å; F282-F415 HydrophobicContact CE1-CE2 4.48Å; F282-F415 HydrophobicContact CE1-CZ 4.12Å
283	A	41.8	Very low	38.4	Very low	11 Å²	11	37.2 Å²	37.2	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-38.2	-176.9	0	0	0	0	0	111.7	P279 Y280 T281 R413	P279-A283 WeakPolarHBondContact O-CB 3.19Å; P279-A283 PolarHBondContact O-N 2.93Å; Y280-A283 PolarHBondContact O-N 3.46Å; T281-A283 PolarHBondContact O-N 3.36Å; A283-R413 PolarHBondContact O-NH1 3.27Å
284	H	40.4	Very low	37.7	Very low	40 Å²	40	31.4 Å²	31.4	19%	0.185	16%	0.158	C	C	.	.	H	α-helix	trans	-85.8	-35.2	-178.7	-74.6	-74.8	0	0	0	114.1	L83 Y280 T281 F282 T286	L83-H284 HydrophobicContact CD2-CB 4.3Å; Y280-H284 AromaticContact CD1-CD2 3.82Å; Y280-H284 AromaticContact CE1-CD2 3.56Å; Y280-H284 AromaticContact CE1-NE2 3.73Å; Y280-H284 AromaticContact CE2-NE2 3.6Å; Y280-H284 AromaticContact CZ-CD2 3.65Å; Y280-H284 AromaticContact CZ-NE2 3.3Å; Y280-H284 VanDerWaalsContact CZ-NE2 3.3Å; Y280-H284 PolarHBondContact O-CD2 2.92Å; Y280-H284 VanDerWaalsContact O-CD2 3.22Å; Y280-H284 PolarHBondContact O-N 2.86Å; Y280-H284 PolarHBondContact OH-NE2 3.49Å; T281-H284 PolarHBondContact O-N 2.92Å; F282-H284 VanDerWaalsContact C-N 3.27Å; F282-H284 PolarHBondContact O-N 2.75Å; H284-T286 PolarHBondContact O-N 3.16Å
285	L	40.2	Very low	37.5	Very low	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-76.1	-21.7	-174.8	-64.5	170.7	0	0	0	113.8	L83 V230 A264 I266 T281 F282 G319 P320 V323 L366	L83-L285 HydrophobicContact CD1-CD2 4.11Å; L83-L285 HydrophobicContact CD2-CD2 4.31Å; V230-L285 HydrophobicContact CG1-CD1 4.49Å; A264-L285 HydrophobicContact CB-CD2 3.32Å; I266-L285 HydrophobicContact CD1-CD2 4.42Å; T281-L285 HydrophobicContact CG2-CD1 3.15Å; T281-L285 HydrophobicContact CG2-CG 3.92Å; T281-L285 VanDerWaalsContact O-CB 3.25Å; T281-L285 WeakPolarHBondContact O-CB 3.3Å; T281-L285 WeakPolarHBondContact O-CD1 3.43Å; T281-L285 WeakPolarHBondContact O-CG 2.94Å; T281-L285 PolarHBondContact O-N 2.98Å; F282-L285 PolarHBondContact O-N 3.46Å; L285-G319 CarbonylContact O-C 3.56Å; L285-G319 VanDerWaalsContact O-CA 3.27Å; L285-G319 WeakPolarHBondContact O-CA 3.47Å; L285-P320 HydrophobicContact CB-CG 3.89Å; L285-P320 HydrophobicContact CD2-CB 4.17Å; L285-P320 HydrophobicContact CD2-CG 3.14Å; L285-P320 HydrophobicContact CG-CG 4.04Å; L285-P320 VanDerWaalsContact O-CD 3.27Å; L285-P320 WeakPolarHBondContact O-CD 3.22Å; L285-V323 HydrophobicContact CD1-CB 4.34Å; L285-V323 HydrophobicContact CD1-CG1 4.17Å; L285-V323 HydrophobicContact CD1-CG2 3.22Å; L285-V323 HydrophobicContact CD2-CG2 4.08Å; L285-V323 HydrophobicContact CG-CG2 4.24Å; L285-L366 HydrophobicContact CD1-CD1 4.3Å
286	T	40.2	Very low	37.3	Very low	3 Å²	3	29 Å²	29	2%	0.018	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	28.6	-168.5	56.6	0	0	0	0	114.4	V230 F282 H284 M288 I289 F290	V230-T286 HydrophobicContact CG2-CG2 3.79Å; F282-T286 HydrophobicContact CD1-CG2 3.99Å; F282-T286 HydrophobicContact CE1-CG2 3.72Å; F282-T286 HydrophobicContact CZ-CG2 4.24Å; F282-T286 PolarHBondContact O-N 3.47Å; F282-T286 PolarHBondContact O-OG1 2.74Å; H284-T286 PolarHBondContact O-N 3.16Å; T286-M288 PolarHBondContact O-N 3.21Å; T286-I289 HydrophobicContact CG2-CD1 3.76Å; T286-I289 HydrophobicContact CG2-CG1 4.4Å; T286-I289 WeakPolarHBondContact O-CA 3.46Å; T286-I289 VanDerWaalsContact O-CB 3.28Å; T286-I289 WeakPolarHBondContact O-CB 3.3Å; T286-I289 PolarHBondContact O-N 2.96Å; T286-F290 VanDerWaalsContact O-CD2 3.23Å; T286-F290 WeakPolarHBondContact O-CD2 3.12Å; T286-F290 PolarHBondContact O-N 3.42Å; T286-F290 VanDerWaalsContact OG1-CE2 3.23Å; T286-F290 WeakPolarHBondContact OG1-CE2 3.37Å
287	S	37.2	Very low	37.2	Very low	28 Å²	28	26.8 Å²	26.8	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-53.5	-29.9	179.8	60.7	0	0	0	0	114.1	I289 F290 N291 I317 G319	S287-I289 VanDerWaalsContact C-N 3.34Å; S287-I289 PolarHBondContact O-N 2.76Å; S287-F290 PolarHBondContact O-N 2.9Å; S287-F290 VanDerWaalsContact O-N 3.08Å; S287-N291 PolarHBondContact O-N 2.81Å; S287-I317 PolarHBondContact OG-O 2.84Å; S287-G319 WeakPolarHBondContact OG-CA 3.48Å; S287-G319 PolarHBondContact OG-N 3.44Å
288	M	31.5	Very low	37.1	Very low	67 Å²	67	26.8 Å²	26.8	33%	0.33	15%	0.151	S	C	.	.	H	α-helix	trans	-62.3	-35.7	170.9	-89.8	-117.4	-154.1	0	0	113.5	Y228 T286 F290 P318	Y228-M288 HydrophobicContact CD2-CB 4.37Å; T286-M288 PolarHBondContact O-N 3.21Å; M288-F290 PolarHBondContact O-N 2.82Å; M288-P318 HydrophobicContact CE-CB 3.57Å; M288-P318 HydrophobicContact CE-CG 4Å; M288-P318 HydrophobicContact CG-CB 4.32Å
289	I	31.3	Very low	36.9	Very low	28 Å²	28	26.8 Å²	26.8	14%	0.144	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-34.4	173.4	-59.3	-174	0	0	0	109.8	Y228 T286 S287	Y228-I289 HydrophobicContact CD2-CG1 4.39Å; T286-I289 HydrophobicContact CG2-CD1 3.76Å; T286-I289 HydrophobicContact CG2-CG1 4.4Å; T286-I289 WeakPolarHBondContact O-CA 3.46Å; T286-I289 VanDerWaalsContact O-CB 3.28Å; T286-I289 WeakPolarHBondContact O-CB 3.3Å; T286-I289 PolarHBondContact O-N 2.96Å; S287-I289 VanDerWaalsContact C-N 3.34Å; S287-I289 PolarHBondContact O-N 2.76Å
290	F	32	Very low	37	Very low	21 Å²	21	28.4 Å²	28.4	9%	0.092	16%	0.161	C	C	.	.	H	α-helix	trans	-91.9	-32.3	-172.1	-62.4	-66.4	0	0	0	115.1	T286 S287 M288 A292 Q293 T294 R413 F415	T286-F290 VanDerWaalsContact O-CD2 3.23Å; T286-F290 WeakPolarHBondContact O-CD2 3.12Å; T286-F290 PolarHBondContact O-N 3.42Å; T286-F290 VanDerWaalsContact OG1-CE2 3.23Å; T286-F290 WeakPolarHBondContact OG1-CE2 3.37Å; S287-F290 PolarHBondContact O-N 2.9Å; S287-F290 VanDerWaalsContact O-N 3.08Å; M288-F290 PolarHBondContact O-N 2.82Å; F290-A292 PolarHBondContact O-N 3.19Å; F290-Q293 PolarHBondContact O-N 3.32Å; F290-T294 PolarHBondContact O-OG1 2.78Å; F290-R413 HydrophobicContact CD1-CB 3.92Å; F290-R413 WeakPolarHBondContact CD1-O 3.3Å; F290-R413 HydrophobicContact CE1-CB 3.75Å; F290-R413 WeakPolarHBondContact CE1-O 3.41Å; F290-R413 HydrophobicContact CG-CB 4.5Å; F290-R413 HydrophobicContact CZ-CB 4.19Å; F290-F415 AromaticContact CE1-CD2 3.72Å; F290-F415 HydrophobicContact CE1-CD2 3.72Å; F290-F415 HydrophobicContact CE1-CE2 4.26Å; F290-F415 AromaticContact CZ-CD2 3.49Å; F290-F415 HydrophobicContact CZ-CD2 3.49Å; F290-F415 VanDerWaalsContact CZ-CD2 3.49Å; F290-F415 AromaticContact CZ-CE2 3.72Å; F290-F415 HydrophobicContact CZ-CE2 3.72Å
291	N	30.4	Very low	36.9	Very low	50 Å²	50	31.9 Å²	31.9	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-66.3	-27	-179.9	-78.2	2	0	0	0	112.7	S287 Q293 A312 S313 C315	S287-N291 PolarHBondContact O-N 2.81Å; N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.99Å; N291-A312 PolarHBondContact OD1-O 3.35Å; N291-S313 VanDerWaalsContact OD1-CA 3.3Å; N291-S313 WeakPolarHBondContact OD1-CA 3.35Å; N291-C315 PolarHBondContact ND2-O 3.49Å
292	A	28.2	Very low	37.7	Very low	62 Å²	62	35.3 Å²	35.3	51%	0.512	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.8	-179.1	0	0	0	0	0	113.8	F290	F290-A292 PolarHBondContact O-N 3.19Å
293	Q	32.1	Very low	38	Very low	39 Å²	39	47.1 Å²	47.1	18%	0.182	25%	0.254	C	S	.	.			trans	-151	23.6	-153.7	-78.9	-177.2	37.8	0	0	115.6	C222 P224 F290 N291 P295	C222-Q293 WeakPolarHBondContact SG-CB 3.32Å; C222-Q293 PolarHBondContact SG-O 3.37Å; P224-Q293 VanDerWaalsContact CA-CD 3.5Å; F290-Q293 PolarHBondContact O-N 3.32Å; N291-Q293 VanDerWaalsContact C-N 3.28Å; N291-Q293 PolarHBondContact O-N 2.99Å; Q293-P295 WeakPolarHBondContact O-CD 3.32Å
294	T	33.7	Very low	37.8	Very low	37 Å²	37	51 Å²	51	23%	0.227	28%	0.277	C	S	.	.			trans	-89.9	93.4	-179	19.8	0	0	0	0	111.2	F290 P310	F290-T294 PolarHBondContact O-OG1 2.78Å; T294-P310 HydrophobicContact CG2-CG 3.56Å
295	P	34.6	Very low	37.8	Very low	19 Å²	19	55.9 Å²	55.9	12%	0.123	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.3	144	164.7	23.5	-28.6	0	0	0	108.6	G220 C222 Q293 L297 K414	G220-P295 VanDerWaalsContact O-CB 3.26Å; G220-P295 WeakPolarHBondContact O-CB 3.37Å; G220-P295 WeakPolarHBondContact O-CG 3.27Å; C222-P295 HydrophobicContact CB-CG 3.87Å; Q293-P295 WeakPolarHBondContact O-CD 3.32Å; P295-L297 PolarHBondContact O-N 3.24Å; P295-K414 HydrophobicContact CG-CD 3.57Å; P295-K414 PolarHBondContact O-NZ 3.43Å
296	V	36.9	Very low	37.6	Very low	53 Å²	53	59.5 Å²	59.5	32%	0.321	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-48.8	127.4	169	-174.8	0	0	0	0	109.6	D307 V309 K414	V296-D307 HydrophobicContact CG1-CB 3.31Å; V296-D307 WeakPolarHBondContact CG1-OD1 3.17Å; V296-V309 HydrophobicContact CG2-CG2 4.24Å; V296-K414 PolarHBondContact O-NZ 3.32Å
297	L	36.4	Very low	37.4	Very low	26 Å²	26	63.2 Å²	63.2	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.8	165.3	-180	80.5	0	0	0	106.7	F217 F219 P295 V299 D307 A308	F217-L297 HydrophobicContact CD1-CD1 4.29Å; F217-L297 HydrophobicContact CD1-CD2 4.49Å; F217-L297 HydrophobicContact CD1-CG 4.5Å; F219-L297 HydrophobicContact CD1-CD1 3.98Å; F219-L297 HydrophobicContact CE1-CD1 3.37Å; F219-L297 HydrophobicContact CZ-CD1 3.88Å; P295-L297 PolarHBondContact O-N 3.24Å; L297-V299 HydrophobicContact CD2-CG2 4.42Å; L297-D307 CarbonylContact O-C 3.58Å; L297-D307 WeakPolarHBondContact O-CA 2.94Å; L297-A308 HydrophobicContact CB-CB 4.31Å; L297-A308 HydrophobicContact CD2-CB 4.47Å; L297-A308 PolarHBondContact N-O 2.83Å; L297-A308 PolarHBondContact O-N 3.48Å
298	S	40.9	Very low	37.3	Very low	1 Å²	1	63.7 Å²	63.7	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.6	-176.1	-60.4	0	0	0	0	109.5	F217 S218 R305 L306 D307	F217-S298 CarbonylContact C-O 3.58Å; S218-S298 PolarHBondContact N-O 3.09Å; S218-S298 PolarHBondContact O-N 2.9Å; S218-S298 WeakPolarHBondContact OG-CB 3.23Å; S298-R305 VanDerWaalsContact CB-NE 3.34Å; S298-R305 PolarHBondContact OG-NE 3.1Å; S298-R305 PolarHBondContact OG-NH2 2.77Å; S298-L306 CarbonylContact C-O 3.46Å; S298-L306 VanDerWaalsContact CA-O 3.27Å; S298-L306 WeakPolarHBondContact CA-O 3.36Å; S298-D307 WeakPolarHBondContact CA-OD1 3.19Å; S298-D307 WeakPolarHBondContact CB-OD1 3.31Å; S298-D307 PolarHBondContact OG-OD1 3.23Å
299	V	37.5	Very low	37.3	Very low	7 Å²	7	64 Å²	64	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.4	174.6	-163.6	0	0	0	0	108.7	F212 F217 L297 R305 L306	F212-V299 HydrophobicContact CB-CG1 4Å; F212-V299 HydrophobicContact CD1-CB 3.84Å; F212-V299 HydrophobicContact CD1-CG1 3.6Å; F212-V299 HydrophobicContact CE1-CB 4.41Å; F212-V299 HydrophobicContact CG-CB 4.39Å; F212-V299 HydrophobicContact CG-CG1 4.12Å; F217-V299 HydrophobicContact CD1-CB 4.37Å; F217-V299 HydrophobicContact CD1-CG1 4.17Å; F217-V299 HydrophobicContact CD1-CG2 3.6Å; F217-V299 HydrophobicContact CE1-CB 4.26Å; F217-V299 HydrophobicContact CE1-CG1 3.87Å; F217-V299 HydrophobicContact CE1-CG2 3.41Å; F217-V299 VanDerWaalsContact CE1-CG2 3.41Å; F217-V299 HydrophobicContact CE2-CG1 4.48Å; F217-V299 HydrophobicContact CZ-CG1 4.03Å; F217-V299 HydrophobicContact CZ-CG2 4.33Å; L297-V299 HydrophobicContact CD2-CG2 4.42Å; V299-R305 CarbonylContact O-C 3.59Å; V299-R305 VanDerWaalsContact O-CA 3.31Å; V299-R305 WeakPolarHBondContact O-CA 3.44Å; V299-L306 HydrophobicContact CB-CB 4.46Å; V299-L306 PolarHBondContact N-O 3.36Å; V299-L306 PolarHBondContact O-N 3.03Å
300	T	44.1	Very low	37.3	Very low	36 Å²	36	64.4 Å²	64.4	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.7	-177.4	-39.1	0	0	0	0	110	T216 T304 R305	T216-T300 PolarHBondContact N-O 2.77Å; T216-T300 PolarHBondContact O-N 2.69Å; T216-T300 PolarHBondContact OG1-O 3.28Å; T300-T304 CarbonylContact C-O 3.56Å; T300-T304 VanDerWaalsContact CA-O 3.28Å; T300-T304 WeakPolarHBondContact CA-O 3.27Å; T300-R305 HydrophobicContact CG2-CB 4.18Å
301	R	39.8	Very low	37.2	Very low	132 Å²	132	68.6 Å²	68.6	50%	0.498	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.6	172.6	-172	178.5	179.1	179.8	1.5	108.4	E211 F212 V213 R303 T304	E211-R301 VanDerWaalsContact O-CD 3.32Å; E211-R301 WeakPolarHBondContact O-CD 3.01Å; E211-R301 PolarHBondContact O-NH1 2.73Å; F212-R301 HydrophobicContact CD1-CB 4.45Å; V213-R301 PolarHBondContact O-NH1 2.88Å; R301-R303 PolarHBondContact O-N 3.29Å; R301-T304 PolarHBondContact N-O 2.73Å; R301-T304 PolarHBondContact O-N 3.11Å
302	G	60	Low	37.1	Very low	76 Å²	76	68.5 Å²	68.5	78%	0.784	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-120.2	-171.6	0	0	0	0	0	111
303	R	49.4	Very low	37	Very low	252 Å²	252	67 Å²	67	95%	0.951	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10	176	-65.9	-176.1	179.3	172.8	1.3	113.4	R301	R301-R303 PolarHBondContact O-N 3.29Å
304	T	37.7	Very low	36.7	Very low	92 Å²	92	71.3 Å²	71.3	56%	0.564	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.8	-174.7	-32.8	0	0	0	0	109.5	F212 T300 R301	F212-T304 HydrophobicContact CZ-CG2 4.48Å; T300-T304 CarbonylContact C-O 3.56Å; T300-T304 VanDerWaalsContact CA-O 3.28Å; T300-T304 WeakPolarHBondContact CA-O 3.27Å; R301-T304 PolarHBondContact N-O 2.73Å; R301-T304 PolarHBondContact O-N 3.11Å
305	R	39.5	Very low	36.4	Very low	144 Å²	144	71.6 Å²	71.6	54%	0.543	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.9	175.4	177.6	179.3	171.2	168.7	3.3	108.9	S298 V299 T300 D307	S298-R305 VanDerWaalsContact CB-NE 3.34Å; S298-R305 PolarHBondContact OG-NE 3.1Å; S298-R305 PolarHBondContact OG-NH2 2.77Å; V299-R305 CarbonylContact O-C 3.59Å; V299-R305 VanDerWaalsContact O-CA 3.31Å; V299-R305 WeakPolarHBondContact O-CA 3.44Å; T300-R305 HydrophobicContact CG2-CB 4.18Å; R305-D307 IonicContact CZ-OD1 3.63Å; R305-D307 IonicContact CZ-OD2 2.91Å; R305-D307 IonicContact NE-OD1 3.63Å; R305-D307 PolarHBondContact NE-OD1 3Å; R305-D307 IonicContact NE-OD2 2.87Å; R305-D307 PolarHBondContact NE-OD2 2.7Å; R305-D307 IonicContact NH2-OD1 2.76Å; R305-D307 IonicContact NH2-OD2 3.61Å
306	L	35.4	Very low	36.2	Very low	77 Å²	77	75 Å²	75	40%	0.403	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.3	170.6	-169.8	88.5	0	0	0	109.3	F212 S298 V299	F212-L306 HydrophobicContact CD1-CB 4.38Å; F212-L306 HydrophobicContact CD2-CB 4.44Å; F212-L306 HydrophobicContact CD2-CD2 4.15Å; F212-L306 HydrophobicContact CE1-CB 3.74Å; F212-L306 HydrophobicContact CE2-CB 3.82Å; F212-L306 HydrophobicContact CE2-CD1 3.99Å; F212-L306 HydrophobicContact CE2-CD2 4.05Å; F212-L306 HydrophobicContact CE2-CG 4.18Å; F212-L306 HydrophobicContact CZ-CB 3.46Å; F212-L306 VanDerWaalsContact CZ-CB 3.46Å; F212-L306 HydrophobicContact CZ-CD1 4.22Å; F212-L306 HydrophobicContact CZ-CG 4.28Å; S298-L306 CarbonylContact C-O 3.46Å; S298-L306 VanDerWaalsContact CA-O 3.27Å; S298-L306 WeakPolarHBondContact CA-O 3.36Å; V299-L306 HydrophobicContact CB-CB 4.46Å; V299-L306 PolarHBondContact N-O 3.36Å; V299-L306 PolarHBondContact O-N 3.03Å
307	D	37.1	Very low	36.1	Very low	80 Å²	80	75 Å²	75	43%	0.428	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	95.7	176.1	-81	-14.2	0	0	0	109	V296 L297 S298 R305 V309	V296-D307 HydrophobicContact CG1-CB 3.31Å; V296-D307 WeakPolarHBondContact CG1-OD1 3.17Å; L297-D307 CarbonylContact O-C 3.58Å; L297-D307 WeakPolarHBondContact O-CA 2.94Å; S298-D307 WeakPolarHBondContact CA-OD1 3.19Å; S298-D307 WeakPolarHBondContact CB-OD1 3.31Å; S298-D307 PolarHBondContact OG-OD1 3.23Å; R305-D307 IonicContact CZ-OD1 3.63Å; R305-D307 IonicContact CZ-OD2 2.91Å; R305-D307 IonicContact NE-OD1 3.63Å; R305-D307 PolarHBondContact NE-OD1 3Å; R305-D307 IonicContact NE-OD2 2.87Å; R305-D307 PolarHBondContact NE-OD2 2.7Å; R305-D307 IonicContact NH2-OD1 2.76Å; R305-D307 IonicContact NH2-OD2 3.61Å; D307-V309 PolarHBondContact O-N 2.62Å
308	A	34.5	Very low	36.3	Very low	38 Å²	38	76 Å²	76	31%	0.314	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116	175.1	0	0	0	0	0	110.1	L297	L297-A308 HydrophobicContact CB-CB 4.31Å; L297-A308 HydrophobicContact CD2-CB 4.47Å; L297-A308 PolarHBondContact N-O 2.83Å; L297-A308 PolarHBondContact O-N 3.48Å
309	V	31.3	Very low	36.6	Very low	75 Å²	75	76.2 Å²	76.2	46%	0.455	43%	0.426	S	S	.	.			trans	-105	119.2	166.9	-173.1	0	0	0	0	106.6	V296 D307 L311 S313	V296-V309 HydrophobicContact CG2-CG2 4.24Å; D307-V309 PolarHBondContact O-N 2.62Å; V309-L311 PolarHBondContact O-N 3.33Å; V309-L311 VanDerWaalsContact O-N 3.1Å; V309-S313 WeakPolarHBondContact CG1-OG 3.39Å
310	P	33	Very low	37.3	Very low	35 Å²	35	76.1 Å²	76.1	23%	0.227	43%	0.426	C	S	.	.			trans	-64	116.7	-179.5	23.8	-31.3	0	0	0	109.5	T294 A312 S313	T294-P310 HydrophobicContact CG2-CG 3.56Å; P310-A312 PolarHBondContact O-N 3.07Å; P310-S313 VanDerWaalsContact O-CB 3.25Å; P310-S313 WeakPolarHBondContact O-CB 3.3Å; P310-S313 PolarHBondContact O-N 2.84Å; P310-S313 PolarHBondContact O-OG 3.07Å
311	L	28.1	Very low	38.2	Very low	109 Å²	109	78.9 Å²	78.9	57%	0.571	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-53.6	-24.1	-175.1	-103.7	149.1	0	0	0	114.7	Y206 V309 S313 L314	Y206-L311 HydrophobicContact CE2-CD1 4.12Å; V309-L311 PolarHBondContact O-N 3.33Å; V309-L311 VanDerWaalsContact O-N 3.1Å; L311-S313 PolarHBondContact O-N 2.82Å; L311-S313 VanDerWaalsContact O-N 3.14Å; L311-L314 HydrophobicContact CD2-CD1 3.79Å; L311-L314 HydrophobicContact CG-CD1 4.46Å; L311-L314 PolarHBondContact O-N 3.23Å
312	A	29.4	Very low	39.5	Very low	48 Å²	48	73.8 Å²	73.8	40%	0.397	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.4	170.9	0	0	0	0	0	112.4	N291 P310 L314 C315	N291-A312 PolarHBondContact OD1-O 3.35Å; P310-A312 PolarHBondContact O-N 3.07Å; A312-L314 VanDerWaalsContact C-N 3.28Å; A312-L314 PolarHBondContact O-N 2.87Å; A312-C315 PolarHBondContact O-N 2.98Å
313	S	26.3	Very low	40	Very low	30 Å²	30	70.1 Å²	70.1	21%	0.21	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-69.8	-20	176	77	0	0	0	0	114.5	N291 V309 P310 L311	N291-S313 VanDerWaalsContact OD1-CA 3.3Å; N291-S313 WeakPolarHBondContact OD1-CA 3.35Å; V309-S313 WeakPolarHBondContact CG1-OG 3.39Å; P310-S313 VanDerWaalsContact O-CB 3.25Å; P310-S313 WeakPolarHBondContact O-CB 3.3Å; P310-S313 PolarHBondContact O-N 2.84Å; P310-S313 PolarHBondContact O-OG 3.07Å; L311-S313 PolarHBondContact O-N 2.82Å; L311-S313 VanDerWaalsContact O-N 3.14Å
314	L	25.7	Very low	40.9	Very low	131 Å²	131	58.1 Å²	58.1	69%	0.686	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-81.2	-22.1	177.4	-71.7	170	0	0	0	112.2	L311 A312 A316	L311-L314 HydrophobicContact CD2-CD1 3.79Å; L311-L314 HydrophobicContact CG-CD1 4.46Å; L311-L314 PolarHBondContact O-N 3.23Å; A312-L314 VanDerWaalsContact C-N 3.28Å; A312-L314 PolarHBondContact O-N 2.87Å; L314-A316 PolarHBondContact O-N 2.92Å
315	C	27.6	Very low	42.7	Very low	42 Å²	42	53.9 Å²	53.9	28%	0.284	31%	0.308	S	S	.	.			trans	-88.1	100.4	172.9	-65.9	0	0	0	0	108.6	N291 A312 I317	N291-C315 PolarHBondContact ND2-O 3.49Å; A312-C315 PolarHBondContact O-N 2.98Å; C315-I317 HydrophobicContact CB-CD1 3.94Å; C315-I317 HydrophobicContact CB-CG1 4Å; C315-I317 PolarHBondContact O-N 3.36Å
316	A	30	Very low	44.3	Very low	91 Å²	91	47 Å²	47	75%	0.752	28%	0.282	S	S	*	.			trans	-67.5	44.1	169.3	0	0	0	0	0	112.3	L314 P318	L314-A316 PolarHBondContact O-N 2.92Å; A316-P318 WeakPolarHBondContact O-CD 3.45Å
317	I	35	Very low	46.2	Very low	54 Å²	54	43.3 Å²	43.3	28%	0.277	26%	0.263	S	S	.	.			trans	-87.7	114.1	177.6	-57.6	172.5	0	0	0	106.8	F85 S287 C315 G319	F85-I317 HydrophobicContact CE2-CG2 4.47Å; S287-I317 PolarHBondContact OG-O 2.84Å; C315-I317 HydrophobicContact CB-CD1 3.94Å; C315-I317 HydrophobicContact CB-CG1 4Å; C315-I317 PolarHBondContact O-N 3.36Å; I317-G319 PolarHBondContact O-N 3.37Å
318	P	40.5	Very low	47.7	Very low	47 Å²	47	39.8 Å²	39.8	31%	0.305	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-50.9	128.6	172.2	-25.7	35.4	0	0	0	110.3	M288 A316	M288-P318 HydrophobicContact CE-CB 3.57Å; M288-P318 HydrophobicContact CE-CG 4Å; M288-P318 HydrophobicContact CG-CB 4.32Å; A316-P318 WeakPolarHBondContact O-CD 3.45Å
319	G	47.4	Very low	49.2	Very low	4 Å²	4	39.7 Å²	39.7	4%	0.041	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.1	153.1	166.5	0	0	0	0	0	109.8	L285 S287 I317 E321	L285-G319 CarbonylContact O-C 3.56Å; L285-G319 VanDerWaalsContact O-CA 3.27Å; L285-G319 WeakPolarHBondContact O-CA 3.47Å; S287-G319 WeakPolarHBondContact OG-CA 3.48Å; S287-G319 PolarHBondContact OG-N 3.44Å; I317-G319 PolarHBondContact O-N 3.37Å; G319-E321 PolarHBondContact O-N 2.99Å
320	P	51.5	Low	51.1	Low	5 Å²	5	36.2 Å²	36.2	3%	0.032	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-62.2	131.7	172	24.4	-34.8	0	0	0	111.5	S262 A264 L285	S262-P320 CarbonylContact O-C 2.94Å; S262-P320 WeakPolarHBondContact O-CA 3.45Å; S262-P320 WeakPolarHBondContact O-CB 3.2Å; A264-P320 HydrophobicContact CB-CB 3.87Å; A264-P320 HydrophobicContact CB-CG 3.83Å; L285-P320 HydrophobicContact CB-CG 3.89Å; L285-P320 HydrophobicContact CD2-CB 4.17Å; L285-P320 HydrophobicContact CD2-CG 3.14Å; L285-P320 HydrophobicContact CG-CG 4.04Å; L285-P320 VanDerWaalsContact O-CD 3.27Å; L285-P320 WeakPolarHBondContact O-CD 3.22Å
321	E	62.3	Low	53.2	Low	94 Å²	94	36 Å²	36	44%	0.439	22%	0.216	S	C	.	.	S	Bend	trans	-84.1	-18.4	175.9	-62.8	175.7	178.6	0	0	111.5	V230 E231 S262 G319	V230-E321 WeakPolarHBondContact CA-O 3.35Å; E231-E321 PolarHBondContact N-O 3.17Å; S262-E321 PolarHBondContact O-N 3.03Å; G319-E321 PolarHBondContact O-N 2.99Å
322	R	68.4	Low	55.3	Low	25 Å²	25	32.5 Å²	32.5	9%	0.094	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.5	-174.4	-70.9	172.5	-82.4	137.2	-1.8	110.7	E231 E253 F254 Y258 D260 S262 V263 A264	E231-R322 CarbonylContact O-C 3.58Å; E231-R322 VanDerWaalsContact O-CA 3.31Å; E231-R322 WeakPolarHBondContact O-CA 3.28Å; E253-R322 PolarHBondContact O-NH1 2.88Å; F254-R322 HydrophobicContact CE1-CB 3.99Å; F254-R322 HydrophobicContact CZ-CB 4.27Å; F254-R322 HydrophobicContact CZ-CG 4.41Å; Y258-R322 PolarHBondContact O-NH1 2.87Å; D260-R322 IonicContact OD1-NH2 3.27Å; S262-R322 PolarHBondContact O-N 3.14Å; S262-R322 VanDerWaalsContact OG-CZ 3.3Å; S262-R322 PolarHBondContact OG-NE 3.28Å; S262-R322 PolarHBondContact OG-NH2 2.76Å; V263-R322 CarbonylContact C-O 3.21Å; V263-R322 WeakPolarHBondContact CA-O 3.38Å; V263-R322 HydrophobicContact CG2-CB 4.09Å; V263-R322 VanDerWaalsContact CG2-NH1 3.28Å; A264-R322 PolarHBondContact N-O 3.2Å
323	V	69	Low	57.1	Low	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.1	-176.6	-170.6	0	0	0	0	111	V230 E231 A232 M233 F254 A264 I266 T281 L285 F325 L366	V230-V323 HydrophobicContact CG1-CG2 3.49Å; V230-V323 VanDerWaalsContact CG1-CG2 3.49Å; E231-V323 PolarHBondContact O-N 3.29Å; A232-V323 VanDerWaalsContact CA-O 3.29Å; A232-V323 WeakPolarHBondContact CA-O 3.42Å; A232-V323 HydrophobicContact CB-CB 4.15Å; M233-V323 PolarHBondContact N-O 2.7Å; F254-V323 WeakPolarHBondContact CE1-O 3.36Å; A264-V323 CarbonylContact O-C 3.54Å; A264-V323 WeakPolarHBondContact O-CA 3.47Å; I266-V323 HydrophobicContact CD1-CG1 3.71Å; I266-V323 HydrophobicContact CG1-CG1 4.32Å; T281-V323 HydrophobicContact CG2-CG1 4.47Å; L285-V323 HydrophobicContact CD1-CB 4.34Å; L285-V323 HydrophobicContact CD1-CG1 4.17Å; L285-V323 HydrophobicContact CD1-CG2 3.22Å; L285-V323 HydrophobicContact CD2-CG2 4.08Å; L285-V323 HydrophobicContact CG-CG2 4.24Å; V323-F325 HydrophobicContact CB-CE2 4.44Å; V323-F325 HydrophobicContact CG1-CD1 4.49Å; V323-F325 HydrophobicContact CG1-CD2 4.15Å; V323-F325 HydrophobicContact CG1-CE1 4.11Å; V323-F325 HydrophobicContact CG1-CE2 3.76Å; V323-F325 HydrophobicContact CG1-CZ 3.75Å; V323-L366 HydrophobicContact CB-CD1 4.44Å; V323-L366 HydrophobicContact CG2-CD1 3.97Å
324	L	69.9	Low	58.9	Low	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106.2	175.5	-172	63.5	0	0	0	110.1	M233 I235 M251 F254 W259 A264 V265 I266	M233-L324 HydrophobicContact CB-CD1 4.46Å; M233-L324 CarbonylContact O-C 3.54Å; M233-L324 WeakPolarHBondContact O-CA 2.95Å; I235-L324 HydrophobicContact CB-CD1 4.47Å; I235-L324 HydrophobicContact CD1-CD1 4.03Å; I235-L324 HydrophobicContact CD1-CD2 3.76Å; I235-L324 HydrophobicContact CD1-CG 4.09Å; I235-L324 HydrophobicContact CG1-CD1 3.91Å; I235-L324 HydrophobicContact CG1-CD2 4.35Å; I235-L324 HydrophobicContact CG1-CG 4.12Å; I235-L324 HydrophobicContact CG2-CD1 3.87Å; M251-L324 HydrophobicContact CE-CD2 4.35Å; F254-L324 HydrophobicContact CB-CD1 4.49Å; F254-L324 HydrophobicContact CD1-CB 4.26Å; F254-L324 HydrophobicContact CD1-CD1 4.12Å; W259-L324 HydrophobicContact CH2-CD2 4.35Å; W259-L324 HydrophobicContact CZ2-CD2 3.43Å; W259-L324 VanDerWaalsContact CZ2-CD2 3.43Å; A264-L324 PolarHBondContact O-N 3.47Å; V265-L324 WeakPolarHBondContact CA-O 3.49Å; V265-L324 HydrophobicContact CG2-CB 4.38Å; V265-L324 HydrophobicContact CG2-CD2 4.42Å; I266-L324 PolarHBondContact N-O 2.79Å
325	F	74.6	Confident	60.3	Low	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.9	173.6	-68.1	-72.2	0	0	0	110.5	A232 M233 A234 I235 I266 V268 L277 T281 V323 W340 V351 L366	A232-F325 HydrophobicContact CB-CD2 4.3Å; A232-F325 HydrophobicContact CB-CE2 3.88Å; M233-F325 PolarHBondContact O-N 2.97Å; A234-F325 CarbonylContact C-O 3.51Å; A234-F325 WeakPolarHBondContact CA-O 3.27Å; A234-F325 HydrophobicContact CB-CB 4.02Å; I235-F325 PolarHBondContact N-O 3.37Å; I266-F325 HydrophobicContact CB-CD1 4.05Å; I266-F325 HydrophobicContact CB-CE1 4.29Å; I266-F325 HydrophobicContact CD1-CE1 4Å; I266-F325 HydrophobicContact CG2-CD1 4.36Å; I266-F325 HydrophobicContact CG2-CE1 4.42Å; I266-F325 CarbonylContact O-C 3.43Å; I266-F325 WeakPolarHBondContact O-CA 3.32Å; V268-F325 HydrophobicContact CG1-CD1 3.66Å; V268-F325 HydrophobicContact CG1-CE1 4.26Å; V268-F325 HydrophobicContact CG2-CB 3.96Å; V268-F325 HydrophobicContact CG2-CD1 4.26Å; L277-F325 HydrophobicContact CD2-CD1 4.37Å; L277-F325 HydrophobicContact CD2-CE1 3.75Å; T281-F325 HydrophobicContact CG2-CE1 4.05Å; T281-F325 HydrophobicContact CG2-CZ 3.84Å; V323-F325 HydrophobicContact CB-CE2 4.44Å; V323-F325 HydrophobicContact CG1-CD1 4.49Å; V323-F325 HydrophobicContact CG1-CD2 4.15Å; V323-F325 HydrophobicContact CG1-CE1 4.11Å; V323-F325 HydrophobicContact CG1-CE2 3.76Å; V323-F325 HydrophobicContact CG1-CZ 3.75Å; F325-W340 HydrophobicContact CB-CE3 4.28Å; F325-W340 HydrophobicContact CB-CZ3 3.97Å; F325-W340 HydrophobicContact CD1-CH2 4.09Å; F325-W340 AromaticContact CD1-CZ3 3.83Å; F325-W340 HydrophobicContact CD1-CZ3 3.83Å; F325-W340 HydrophobicContact CD2-CE3 4.37Å; F325-W340 AromaticContact CD2-CZ3 3.71Å; F325-W340 HydrophobicContact CD2-CZ3 3.71Å; F325-W340 HydrophobicContact CE1-CH2 4.31Å; F325-W340 HydrophobicContact CE1-CZ3 4.2Å; F325-W340 HydrophobicContact CE2-CZ3 4.07Å; F325-W340 HydrophobicContact CG-CE3 4.28Å; F325-W340 HydrophobicContact CG-CH2 4.26Å; F325-W340 AromaticContact CG-CZ3 3.55Å; F325-W340 HydrophobicContact CG-CZ3 3.55Å; F325-W340 HydrophobicContact CZ-CZ3 4.3Å; F325-V351 HydrophobicContact CD2-CG1 4.15Å; F325-V351 HydrophobicContact CE2-CG2 4.5Å; F325-L366 HydrophobicContact CE2-CD2 4.38Å
326	V	72.5	Confident	61.9	Low	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.7	177.8	-177.7	0	0	0	0	109.1	M191 I235 V237 Y240 V265 I266 P267 V268 V328	M191-V326 HydrophobicContact CE-CB 3.5Å; M191-V326 HydrophobicContact CE-CG1 3.52Å; M191-V326 HydrophobicContact CE-CG2 3.83Å; M191-V326 HydrophobicContact SD-CG1 3.96Å; I235-V326 HydrophobicContact CG1-CG2 4.2Å; I235-V326 CarbonylContact O-C 3.51Å; I235-V326 WeakPolarHBondContact O-CA 3.4Å; V237-V326 HydrophobicContact CB-CG1 4.09Å; V237-V326 HydrophobicContact CG2-CG1 4.21Å; Y240-V326 HydrophobicContact CD1-CG1 4.49Å; Y240-V326 HydrophobicContact CD2-CG1 4.49Å; Y240-V326 HydrophobicContact CD2-CG2 3.55Å; Y240-V326 HydrophobicContact CE2-CG2 4.14Å; Y240-V326 HydrophobicContact CG-CG1 4Å; Y240-V326 HydrophobicContact CG-CG2 3.91Å; V265-V326 HydrophobicContact CG1-CG2 3.63Å; I266-V326 PolarHBondContact O-N 2.96Å; P267-V326 CarbonylContact C-O 3.44Å; P267-V326 WeakPolarHBondContact CA-O 3.38Å; V268-V326 PolarHBondContact N-O 2.91Å; V268-V326 VanDerWaalsContact O-O 3.04Å; V326-V328 PolarHBondContact O-N 3.01Å; V326-V328 VanDerWaalsContact O-N 3.11Å
327	L	75.5	Confident	63.6	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	96.8	-179.3	-53.1	-176	0	0	0	110	A234 I235 V237 V268 A270 D329 A330 F337 W340 V353	A234-L327 HydrophobicContact CB-CD2 4.26Å; A234-L327 HydrophobicContact CB-CG 4.35Å; I235-L327 PolarHBondContact O-N 3.31Å; V237-L327 PolarHBondContact N-O 3.32Å; V237-L327 VanDerWaalsContact N-O 3.12Å; V268-L327 HydrophobicContact CG2-CD2 3.59Å; V268-L327 CarbonylContact O-C 3.54Å; V268-L327 VanDerWaalsContact O-CA 3.28Å; V268-L327 WeakPolarHBondContact O-CA 3.36Å; A270-L327 HydrophobicContact CB-CB 4.36Å; A270-L327 HydrophobicContact CB-CD1 4.24Å; A270-L327 HydrophobicContact CB-CD2 4.33Å; L327-D329 VanDerWaalsContact C-N 3.31Å; L327-D329 PolarHBondContact O-N 3.02Å; L327-A330 HydrophobicContact CB-CB 3.89Å; L327-A330 HydrophobicContact CD1-CB 4.33Å; L327-A330 PolarHBondContact O-N 3.41Å; L327-F337 HydrophobicContact CD1-CD1 4.33Å; L327-W340 HydrophobicContact CD1-CB 4.17Å; L327-W340 HydrophobicContact CD2-CB 4.08Å; L327-W340 HydrophobicContact CD2-CD2 3.88Å; L327-W340 HydrophobicContact CD2-CE3 4.36Å; L327-W340 HydrophobicContact CD2-CG 3.72Å; L327-V353 HydrophobicContact CD1-CG1 4.01Å; L327-V353 HydrophobicContact CD1-CG2 3.81Å
328	V	68.3	Low	65.5	Low	6 Å²	6	50.4 Å²	50.4	4%	0.036	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.6	-171.6	-55.8	0	0	0	0	113.6	V170 A171 L186 P267 V268 R269 V326	V170-V328 CarbonylContact C-O 3.52Å; V170-V328 HydrophobicContact CG1-CB 4.18Å; V170-V328 WeakPolarHBondContact CG1-O 3.42Å; A171-V328 WeakPolarHBondContact CA-O 3.42Å; A171-V328 PolarHBondContact N-O 3.03Å; L186-V328 HydrophobicContact CD2-CG1 3.85Å; P267-V328 HydrophobicContact CB-CG1 3.62Å; V268-V328 PolarHBondContact O-N 3.2Å; R269-V328 HydrophobicContact CG-CG2 3.57Å; V326-V328 PolarHBondContact O-N 3.01Å; V326-V328 VanDerWaalsContact O-N 3.11Å
329	D	67.5	Low	67.2	Low	35 Å²	35	50.5 Å²	50.5	19%	0.187	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.5	180	66.4	-25.8	0	0	0	113.3	R269 A270 S271 L327	R269-D329 WeakPolarHBondContact CA-OD1 3.34Å; R269-D329 HydrophobicContact CG-CB 4.43Å; A270-D329 WeakPolarHBondContact CA-OD1 3.42Å; A270-D329 WeakPolarHBondContact CB-OD1 2.89Å; A270-D329 PolarHBondContact N-OD1 3.24Å; A270-D329 PolarHBondContact N-OD2 3.38Å; S271-D329 WeakPolarHBondContact CB-OD2 3.47Å; S271-D329 PolarHBondContact N-OD2 3.08Å; S271-D329 PolarHBondContact OG-OD2 3.1Å; L327-D329 VanDerWaalsContact C-N 3.31Å; L327-D329 PolarHBondContact O-N 3.02Å
330	A	70.9	Confident	68.3	Low	3 Å²	3	50.5 Å²	50.5	3%	0.025	24%	0.244	C	C	.	.			trans	-131	150.1	-176.8	0	0	0	0	0	112.3	V237 A270 L327 F337	V237-A330 PolarHBondContact N-O 2.81Å; A270-A330 HydrophobicContact CB-CB 4.29Å; L327-A330 HydrophobicContact CB-CB 3.89Å; L327-A330 HydrophobicContact CD1-CB 4.33Å; L327-A330 PolarHBondContact O-N 3.41Å; A330-F337 HydrophobicContact CB-CE2 4.49Å
331	T	76.8	Confident	69	Low	31 Å²	31	54.8 Å²	54.8	19%	0.19	26%	0.259	C	S	.	.			trans	-120.8	159.7	174.9	64.2	0	0	0	0	111.7	A171 D238 R333 D334	A171-T331 HydrophobicContact CB-CG2 3.55Å; D238-T331 WeakPolarHBondContact OD1-CA 3.15Å; T331-R333 PolarHBondContact O-N 2.98Å; T331-R333 VanDerWaalsContact O-N 3.12Å; T331-D334 WeakPolarHBondContact O-CB 3.49Å; T331-D334 PolarHBondContact O-N 3.44Å
332	T	71.4	Confident	68.8	Low	34 Å²	34	50.5 Å²	50.5	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.7	175	53.3	0	0	0	0	114	P236 D238 R239 D334 V355	P236-T332 HydrophobicContact CB-CG2 4.18Å; P236-T332 HydrophobicContact CG-CG2 4.11Å; D238-T332 VanDerWaalsContact CG-N 3.34Å; D238-T332 PolarHBondContact OD1-N 3Å; D238-T332 WeakPolarHBondContact OD2-CB 3.24Å; D238-T332 PolarHBondContact OD2-N 2.93Å; D238-T332 PolarHBondContact OD2-OG1 3.2Å; R239-T332 HydrophobicContact CB-CG2 3.52Å; R239-T332 HydrophobicContact CG-CG2 3.99Å; T332-D334 PolarHBondContact O-N 3.5Å; T332-V355 WeakPolarHBondContact CB-O 3.32Å; T332-V355 WeakPolarHBondContact CG2-O 3.4Å
333	R	67.8	Low	67.8	Low	183 Å²	183	49.3 Å²	49.3	69%	0.691	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.2	177	-62.7	-175	-176.2	138.9	8.3	112.8	E168 T331 T335	E168-R333 IonicContact OE1-CZ 3.17Å; E168-R333 IonicContact OE1-NH1 3.43Å; E168-R333 PolarHBondContact OE1-NH1 2.98Å; E168-R333 IonicContact OE1-NH2 3.82Å; E168-R333 PolarHBondContact OE1-NH2 3.35Å; T331-R333 PolarHBondContact O-N 2.98Å; T331-R333 VanDerWaalsContact O-N 3.12Å; R333-T335 PolarHBondContact O-N 3.37Å
334	D	65.2	Low	66.9	Low	61 Å²	61	50.1 Å²	50.1	33%	0.326	24%	0.241	S	C	.	.			trans	-78.2	75.8	176.1	-158	-16.9	0	0	0	110.7	T331 T332 L336 F337	T331-D334 WeakPolarHBondContact O-CB 3.49Å; T331-D334 PolarHBondContact O-N 3.44Å; T332-D334 PolarHBondContact O-N 3.5Å; D334-L336 PolarHBondContact O-N 2.83Å; D334-F337 HydrophobicContact CB-CD2 3.88Å; D334-F337 HydrophobicContact CB-CE2 4.46Å; D334-F337 VanDerWaalsContact CG-CD2 3.47Å; D334-F337 PolarHBondContact O-N 3.42Å; D334-F337 WeakPolarHBondContact OD2-CD2 3.45Å; D334-F337 VanDerWaalsContact OD2-CE2 3.26Å; D334-F337 WeakPolarHBondContact OD2-CE2 3.06Å
335	T	54.9	Low	66.1	Low	115 Å²	115	53.5 Å²	53.5	71%	0.706	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.1	-173.6	55.9	0	0	0	0	115.7	R333	R333-T335 PolarHBondContact O-N 3.37Å
336	L	61.6	Low	64.9	Low	153 Å²	153	61.6 Å²	61.6	80%	0.801	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.1	178.6	-66.1	171.4	0	0	0	112.7	D334 R338	D334-L336 PolarHBondContact O-N 2.83Å; L336-R338 PolarHBondContact O-N 2.76Å
337	F	65.7	Low	63.8	Low	50 Å²	50	63.8 Å²	63.8	22%	0.219	31%	0.313	C	S	.	.			trans	-82.5	78.8	179.6	-83.4	-84.8	0	0	0	112	A270 L327 A330 D334 V353 V355	A270-F337 HydrophobicContact CB-CE1 3.63Å; A270-F337 HydrophobicContact CB-CZ 3.75Å; L327-F337 HydrophobicContact CD1-CD1 4.33Å; A330-F337 HydrophobicContact CB-CE2 4.49Å; D334-F337 HydrophobicContact CB-CD2 3.88Å; D334-F337 HydrophobicContact CB-CE2 4.46Å; D334-F337 VanDerWaalsContact CG-CD2 3.47Å; D334-F337 PolarHBondContact O-N 3.42Å; D334-F337 WeakPolarHBondContact OD2-CD2 3.45Å; D334-F337 VanDerWaalsContact OD2-CE2 3.26Å; D334-F337 WeakPolarHBondContact OD2-CE2 3.06Å; F337-V353 HydrophobicContact CB-CG1 4.36Å; F337-V355 HydrophobicContact CB-CG1 4.46Å; F337-V355 WeakPolarHBondContact O-CG2 3.22Å
338	R	73.2	Confident	62.7	Low	211 Å²	211	64.6 Å²	64.6	80%	0.796	32%	0.322	S	S	*	.	S	Bend	trans	-83.1	-28.4	166.2	-67	-169.9	180	-160.4	-0	112.8	L336 V353	L336-R338 PolarHBondContact O-N 2.76Å; R338-V353 PolarHBondContact O-N 3.15Å
339	S	76.8	Confident	62.2	Low	49 Å²	49	64.5 Å²	64.5	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.3	175.9	56.4	0	0	0	0	109.9	V351 V353	S339-V351 CarbonylContact C-O 3.54Å; S339-V351 VanDerWaalsContact CA-O 3.27Å; S339-V351 WeakPolarHBondContact CA-O 3.4Å; S339-V353 VanDerWaalsContact C-CG2 3.49Å
340	W	71.5	Confident	62.4	Low	3 Å²	3	66.2 Å²	66.2	1%	0.011	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.3	170.9	166.4	63	0	0	0	107.3	A234 V268 D272 F325 L327 C342 V351 V353	A234-W340 HydrophobicContact CB-CB 4.35Å; A234-W340 HydrophobicContact CB-CE3 4.35Å; V268-W340 HydrophobicContact CB-CH2 4.28Å; V268-W340 HydrophobicContact CB-CZ2 4.21Å; V268-W340 HydrophobicContact CG1-CH2 4.25Å; V268-W340 HydrophobicContact CG2-CH2 3.93Å; V268-W340 HydrophobicContact CG2-CZ2 3.93Å; V268-W340 HydrophobicContact CG2-CZ3 4.3Å; D272-W340 PolarHBondContact O-NE1 3.5Å; F325-W340 HydrophobicContact CB-CE3 4.28Å; F325-W340 HydrophobicContact CB-CZ3 3.97Å; F325-W340 HydrophobicContact CD1-CH2 4.09Å; F325-W340 AromaticContact CD1-CZ3 3.83Å; F325-W340 HydrophobicContact CD1-CZ3 3.83Å; F325-W340 HydrophobicContact CD2-CE3 4.37Å; F325-W340 AromaticContact CD2-CZ3 3.71Å; F325-W340 HydrophobicContact CD2-CZ3 3.71Å; F325-W340 HydrophobicContact CE1-CH2 4.31Å; F325-W340 HydrophobicContact CE1-CZ3 4.2Å; F325-W340 HydrophobicContact CE2-CZ3 4.07Å; F325-W340 HydrophobicContact CG-CE3 4.28Å; F325-W340 HydrophobicContact CG-CH2 4.26Å; F325-W340 AromaticContact CG-CZ3 3.55Å; F325-W340 HydrophobicContact CG-CZ3 3.55Å; F325-W340 HydrophobicContact CZ-CZ3 4.3Å; L327-W340 HydrophobicContact CD1-CB 4.17Å; L327-W340 HydrophobicContact CD2-CB 4.08Å; L327-W340 HydrophobicContact CD2-CD2 3.88Å; L327-W340 HydrophobicContact CD2-CE3 4.36Å; L327-W340 HydrophobicContact CD2-CG 3.72Å; W340-C342 HydrophobicContact CE3-CB 4.25Å; W340-C342 HydrophobicContact CH2-CB 3.78Å; W340-C342 HydrophobicContact CZ2-CB 4.22Å; W340-C342 HydrophobicContact CZ3-CB 3.79Å; W340-C342 PolarHBondContact O-N 3.12Å; W340-V351 HydrophobicContact CE3-CB 3.91Å; W340-V351 HydrophobicContact CE3-CG1 4.44Å; W340-V351 HydrophobicContact CE3-CG2 3.94Å; W340-V351 HydrophobicContact CZ3-CG2 4.12Å; W340-V351 PolarHBondContact N-O 3.26Å; W340-V351 PolarHBondContact O-N 3.03Å; W340-V353 HydrophobicContact CB-CG2 3.63Å; W340-V353 VanDerWaalsContact N-CG2 3.29Å
341	R	65.9	Low	62.6	Low	96 Å²	96	66.1 Å²	66.1	36%	0.362	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	104.1	-179.3	-170.8	164.2	-73.2	-176.2	-2.4	110.9	R273 G343 S345 V349 D350	R273-R341 CarbonylContact C-O 3.58Å; R341-G343 PolarHBondContact O-N 3.09Å; R341-S345 PolarHBondContact NH1-O 3.37Å; R341-V349 CarbonylContact C-O 3.49Å; R341-V349 WeakPolarHBondContact CA-O 3.31Å; R341-D350 IonicContact CZ-OD1 3.8Å; R341-D350 IonicContact CZ-OD2 3.18Å; R341-D350 IonicContact NE-OD1 3.44Å; R341-D350 PolarHBondContact NE-OD1 3.07Å; R341-D350 IonicContact NE-OD2 3.82Å; R341-D350 VanDerWaalsContact NH2-CG 3.34Å; R341-D350 IonicContact NH2-OD1 2.82Å; R341-D350 PolarHBondContact NH2-OD1 3Å; R341-D350 IonicContact NH2-OD2 2.76Å; R341-D350 PolarHBondContact NH2-OD2 3.03Å
342	C	56.7	Low	62.8	Low	3 Å²	3	65.4 Å²	65.4	2%	0.02	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	104.4	169.4	-166.6	0	0	0	0	109.1	I278 W340 G348 V349 V351	I278-C342 HydrophobicContact CG1-CB 4.45Å; I278-C342 WeakPolarHBondContact CG1-SG 3.36Å; W340-C342 HydrophobicContact CE3-CB 4.25Å; W340-C342 HydrophobicContact CH2-CB 3.78Å; W340-C342 HydrophobicContact CZ2-CB 4.22Å; W340-C342 HydrophobicContact CZ3-CB 3.79Å; W340-C342 PolarHBondContact O-N 3.12Å; C342-G348 CarbonylContact O-C 3.5Å; C342-G348 WeakPolarHBondContact O-CA 3.27Å; C342-V349 HydrophobicContact CB-CB 4.3Å; C342-V349 HydrophobicContact CB-CG2 4.37Å; C342-V349 PolarHBondContact N-O 3.32Å; C342-V349 PolarHBondContact O-N 3.5Å; C342-V351 HydrophobicContact CB-CG2 4.17Å
343	G	48.8	Very low	63.3	Low	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.9	-179.9	-179.7	0	0	0	0	0	113.4	R273 G274 R341	R273-G343 VanDerWaalsContact C-N 3.33Å; R273-G343 CarbonylContact C-O 3.51Å; R273-G343 CarbonylContact O-C 3.55Å; R273-G343 VanDerWaalsContact O-CA 3.25Å; R273-G343 WeakPolarHBondContact O-CA 3.36Å; R273-G343 PolarHBondContact O-N 3.43Å; G274-G343 VanDerWaalsContact C-CA 3.49Å; G274-G343 VanDerWaalsContact C-N 3.27Å; G274-G343 VanDerWaalsContact N-N 3.18Å; G274-G343 WeakPolarHBondContact O-CA 3.18Å; G274-G343 PolarHBondContact O-N 3.36Å; R341-G343 PolarHBondContact O-N 3.09Å
344	S	49.4	Very low	63.8	Low	18 Å²	18	55.9 Å²	55.9	13%	0.126	29%	0.286	C	S	.	.			trans	-63.7	164.1	-176.6	87.6	0	0	0	0	111.5	Q346 L347 G348	S344-Q346 PolarHBondContact O-N 3.02Å; S344-Q346 VanDerWaalsContact O-N 3.1Å; S344-Q346 PolarHBondContact OG-N 3.38Å; S344-L347 CarbonylContact O-C 3.54Å; S344-L347 PolarHBondContact O-N 3.34Å; S344-L347 WeakPolarHBondContact OG-CB 3.01Å; S344-L347 PolarHBondContact OG-N 3.49Å; S344-L347 VanDerWaalsContact OG-N 3.08Å; S344-G348 WeakPolarHBondContact O-CA 3.06Å; S344-G348 PolarHBondContact O-N 3.47Å
345	S	52.5	Low	64.2	Low	70 Å²	70	54.2 Å²	54.2	49%	0.49	28%	0.278	S	S	.	.	S	Bend	trans	-59.2	-25.6	177.9	49.5	0	0	0	0	113.4	R341	R341-S345 PolarHBondContact NH1-O 3.37Å
346	Q	49.6	Very low	64.7	Low	173 Å²	173	50.7 Å²	50.7	81%	0.808	26%	0.258	S	S	*	.	S	Bend	trans	-95.4	-24.9	-179.2	-68.1	168.4	-14.5	0	0	112.9	S344	S344-Q346 PolarHBondContact O-N 3.02Å; S344-Q346 VanDerWaalsContact O-N 3.1Å; S344-Q346 PolarHBondContact OG-N 3.38Å
347	L	49.2	Very low	64.6	Low	45 Å²	45	48.9 Å²	48.9	24%	0.236	26%	0.258	C	S	.	.	S	Bend	trans	-135.2	37	-168	-63.4	157.4	0	0	0	111.2	S344 R393	S344-L347 CarbonylContact O-C 3.54Å; S344-L347 PolarHBondContact O-N 3.34Å; S344-L347 WeakPolarHBondContact OG-CB 3.01Å; S344-L347 PolarHBondContact OG-N 3.49Å; S344-L347 VanDerWaalsContact OG-N 3.08Å; L347-R393 VanDerWaalsContact CD1-NH2 3.27Å
348	G	53.1	Low	64.2	Low	17 Å²	17	55 Å²	55	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.4	-174.8	0	0	0	0	0	112.6	C342 S344	C342-G348 CarbonylContact O-C 3.5Å; C342-G348 WeakPolarHBondContact O-CA 3.27Å; S344-G348 WeakPolarHBondContact O-CA 3.06Å; S344-G348 PolarHBondContact O-N 3.47Å
349	V	57.3	Low	63.8	Low	5 Å²	5	50.6 Å²	50.6	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.8	171.6	-166.5	0	0	0	0	109.5	I278 R341 C342 V351 A364 L369	I278-V349 HydrophobicContact CD1-CG2 3.85Å; R341-V349 CarbonylContact C-O 3.49Å; R341-V349 WeakPolarHBondContact CA-O 3.31Å; C342-V349 HydrophobicContact CB-CB 4.3Å; C342-V349 HydrophobicContact CB-CG2 4.37Å; C342-V349 PolarHBondContact N-O 3.32Å; C342-V349 PolarHBondContact O-N 3.5Å; V349-V351 HydrophobicContact CB-CG2 4.33Å; V349-V351 HydrophobicContact CG1-CG2 4.11Å; V349-V351 PolarHBondContact O-N 3.43Å; V349-V351 VanDerWaalsContact O-N 3.14Å; V349-A364 HydrophobicContact CG1-CB 4.26Å; V349-L369 HydrophobicContact CB-CB 4.43Å; V349-L369 HydrophobicContact CB-CD1 3.8Å; V349-L369 HydrophobicContact CB-CD2 3.89Å; V349-L369 HydrophobicContact CB-CG 4.17Å; V349-L369 HydrophobicContact CG1-CD1 3.19Å; V349-L369 HydrophobicContact CG1-CD2 3.92Å; V349-L369 HydrophobicContact CG1-CG 4.01Å; V349-L369 HydrophobicContact CG2-CB 3.34Å; V349-L369 HydrophobicContact CG2-CD1 3.49Å; V349-L369 VanDerWaalsContact CG2-CD1 3.49Å; V349-L369 HydrophobicContact CG2-CD2 3.63Å; V349-L369 HydrophobicContact CG2-CG 3.59Å
350	D	72.5	Confident	63.2	Low	71 Å²	71	51.5 Å²	51.5	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	97.3	161.5	-70.5	-29.2	0	0	0	108.5	R341	R341-D350 IonicContact CZ-OD1 3.8Å; R341-D350 IonicContact CZ-OD2 3.18Å; R341-D350 IonicContact NE-OD1 3.44Å; R341-D350 PolarHBondContact NE-OD1 3.07Å; R341-D350 IonicContact NE-OD2 3.82Å; R341-D350 VanDerWaalsContact NH2-CG 3.34Å; R341-D350 IonicContact NH2-OD1 2.82Å; R341-D350 PolarHBondContact NH2-OD1 3Å; R341-D350 IonicContact NH2-OD2 2.76Å; R341-D350 PolarHBondContact NH2-OD2 3.03Å
351	V	74.2	Confident	63	Low	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.2	168.7	-178.1	0	0	0	0	106.8	A232 A234 F325 S339 W340 C342 V349 V353	A232-V351 HydrophobicContact CB-CG1 4.39Å; A234-V351 HydrophobicContact CB-CG1 3.83Å; F325-V351 HydrophobicContact CD2-CG1 4.15Å; F325-V351 HydrophobicContact CE2-CG2 4.5Å; S339-V351 CarbonylContact C-O 3.54Å; S339-V351 VanDerWaalsContact CA-O 3.27Å; S339-V351 WeakPolarHBondContact CA-O 3.4Å; W340-V351 HydrophobicContact CE3-CB 3.91Å; W340-V351 HydrophobicContact CE3-CG1 4.44Å; W340-V351 HydrophobicContact CE3-CG2 3.94Å; W340-V351 HydrophobicContact CZ3-CG2 4.12Å; W340-V351 PolarHBondContact N-O 3.26Å; W340-V351 PolarHBondContact O-N 3.03Å; C342-V351 HydrophobicContact CB-CG2 4.17Å; V349-V351 HydrophobicContact CB-CG2 4.33Å; V349-V351 HydrophobicContact CG1-CG2 4.11Å; V349-V351 PolarHBondContact O-N 3.43Å; V349-V351 VanDerWaalsContact O-N 3.14Å; V351-V353 PolarHBondContact O-N 3.2Å
352	P	81.5	Confident	63.4	Low	16 Å²	16	56.9 Å²	56.9	10%	0.104	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135.9	179.9	27.2	-37	0	0	0	110.8	A234 P361 Q362	A234-P352 PolarHBondContact N-O 3.2Å; P352-P361 HydrophobicContact CB-CB 3.53Å; P352-P361 HydrophobicContact CB-CG 3.74Å; P352-P361 HydrophobicContact CG-CB 4.38Å; P352-P361 HydrophobicContact CG-CG 4.45Å; P352-Q362 WeakPolarHBondContact CG-O 3.43Å
353	V	81.8	Confident	64.2	Low	6 Å²	6	58.6 Å²	58.6	4%	0.036	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-102.5	122	176	-178.7	0	0	0	0	108.9	A234 P236 L327 F337 R338 S339 W340 V351 V355	A234-V353 HydrophobicContact CB-CG2 3.88Å; A234-V353 CarbonylContact O-C 3.6Å; A234-V353 VanDerWaalsContact O-CA 3.27Å; A234-V353 WeakPolarHBondContact O-CA 3.4Å; P236-V353 HydrophobicContact CG-CG1 4.11Å; L327-V353 HydrophobicContact CD1-CG1 4.01Å; L327-V353 HydrophobicContact CD1-CG2 3.81Å; F337-V353 HydrophobicContact CB-CG1 4.36Å; R338-V353 PolarHBondContact O-N 3.15Å; S339-V353 VanDerWaalsContact C-CG2 3.49Å; W340-V353 HydrophobicContact CB-CG2 3.63Å; W340-V353 VanDerWaalsContact N-CG2 3.29Å; V351-V353 PolarHBondContact O-N 3.2Å; V353-V355 HydrophobicContact CG1-CG1 4.05Å; V353-V355 PolarHBondContact O-N 3.21Å
354	W	78.8	Confident	65.3	Low	11 Å²	11	59.4 Å²	59.4	4%	0.042	33%	0.331	C	S	.	.			trans	-87.7	98.2	173.4	-172.8	67.1	0	0	0	111	M233 A234 I235 P236 R239 V243 V248 D250 M251 S356 L360 P361	M233-W354 HydrophobicContact SD-CB 4.09Å; A234-W354 PolarHBondContact O-N 3.34Å; I235-W354 HydrophobicContact CG2-CB 4.01Å; I235-W354 HydrophobicContact CG2-CE3 4.24Å; P236-W354 VanDerWaalsContact CD-O 3.31Å; P236-W354 WeakPolarHBondContact CD-O 3.45Å; R239-W354 HydrophobicContact CG-CE3 3.75Å; R239-W354 HydrophobicContact CG-CZ3 3.8Å; V243-W354 HydrophobicContact CG2-CZ3 4.11Å; V248-W354 HydrophobicContact CG1-CH2 3.12Å; V248-W354 HydrophobicContact CG1-CZ2 4.22Å; V248-W354 HydrophobicContact CG1-CZ3 3.58Å; D250-W354 WeakPolarHBondContact O-CZ2 3.37Å; M251-W354 HydrophobicContact CB-CH2 4.39Å; M251-W354 HydrophobicContact CB-CZ3 4.48Å; M251-W354 HydrophobicContact CG-CD2 3.95Å; M251-W354 HydrophobicContact CG-CE3 3.45Å; M251-W354 VanDerWaalsContact CG-CE3 3.45Å; M251-W354 HydrophobicContact CG-CH2 3.13Å; M251-W354 HydrophobicContact CG-CZ2 3.8Å; M251-W354 HydrophobicContact CG-CZ3 3.01Å; M251-W354 HydrophobicContact SD-CD2 3.98Å; M251-W354 HydrophobicContact SD-CE3 3.12Å; M251-W354 HydrophobicContact SD-CH2 3.92Å; M251-W354 HydrophobicContact SD-CZ3 3.1Å; M251-W354 WeakPolarHBondContact SD-CZ3 3.05Å; W354-S356 PolarHBondContact NE1-O 3.18Å; W354-L360 HydrophobicContact CG-CD1 4.44Å; W354-P361 HydrophobicContact CB-CG 4.4Å
355	V	72.8	Confident	66.2	Low	26 Å²	26	60.6 Å²	60.6	16%	0.158	34%	0.339	C	S	.	.			trans	-95.7	-19.1	-178.2	-94.9	0	0	0	0	113.7	P236 T332 F337 V353	P236-V355 HydrophobicContact CG-CG1 3.87Å; T332-V355 WeakPolarHBondContact CB-O 3.32Å; T332-V355 WeakPolarHBondContact CG2-O 3.4Å; F337-V355 HydrophobicContact CB-CG1 4.46Å; F337-V355 WeakPolarHBondContact O-CG2 3.22Å; V353-V355 HydrophobicContact CG1-CG1 4.05Å; V353-V355 PolarHBondContact O-N 3.21Å
356	S	66	Low	66.6	Low	41 Å²	41	57.6 Å²	57.6	29%	0.287	32%	0.317	S	S	.	.	S	Bend	trans	-160.6	167.4	-166.3	57.1	0	0	0	0	113.9	W354 Y358	W354-S356 PolarHBondContact NE1-O 3.18Å; S356-Y358 PolarHBondContact O-N 2.76Å; S356-Y358 WeakPolarHBondContact OG-CD2 3.41Å
357	S	59.4	Low	66.9	Low	115 Å²	115	51.3 Å²	51.3	80%	0.804	29%	0.288	S	S	*	.	S	Bend	trans	-69.1	16.2	178.8	33.7	0	0	0	0	115.5
358	Y	57.9	Low	67	Low	180 Å²	180	52.5 Å²	52.5	71%	0.706	30%	0.299	S	S	*	.	S	Bend	trans	-68.8	164	167.2	-78.6	-93.5	0	0	0	110.1	S356 L360	S356-Y358 PolarHBondContact O-N 2.76Å; S356-Y358 WeakPolarHBondContact OG-CD2 3.41Å; Y358-L360 PolarHBondContact O-N 2.94Å
359	P	63.1	Low	67	Low	118 Å²	118	53.5 Å²	53.5	77%	0.766	30%	0.3	S	S	*	.	S	Bend	trans	-48.8	133.1	179.8	16.9	-31.6	0	0	0	111.3
360	L	65.4	Low	66.7	Low	67 Å²	67	53.3 Å²	53.3	35%	0.351	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-51.8	124.6	180	-169.3	76.2	0	0	0	109.1	M233 M251 W354 Y358	M233-L360 HydrophobicContact CE-CD1 4.03Å; M233-L360 HydrophobicContact CE-CD2 4.26Å; M233-L360 HydrophobicContact CE-CG 3.94Å; M233-L360 HydrophobicContact SD-CD1 3.99Å; M251-L360 HydrophobicContact CB-CD1 4.17Å; M251-L360 WeakPolarHBondContact O-CD1 3.25Å; M251-L360 WeakPolarHBondContact O-CD2 3.14Å; W354-L360 HydrophobicContact CG-CD1 4.44Å; Y358-L360 PolarHBondContact O-N 2.94Å
361	P	66.6	Low	65.6	Low	34 Å²	34	51.8 Å²	51.8	22%	0.221	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.3	177.5	29.1	-34.6	0	0	0	109.8	M233 P352 W354	M233-P361 HydrophobicContact CE-CG 4.2Å; M233-P361 VanDerWaalsContact CE-O 3.24Å; M233-P361 WeakPolarHBondContact CE-O 3.27Å; M233-P361 HydrophobicContact SD-CG 4.37Å; P352-P361 HydrophobicContact CB-CB 3.53Å; P352-P361 HydrophobicContact CB-CG 3.74Å; P352-P361 HydrophobicContact CG-CB 4.38Å; P352-P361 HydrophobicContact CG-CG 4.45Å; W354-P361 HydrophobicContact CB-CG 4.4Å
362	Q	75.3	Confident	64.5	Low	178 Å²	178	55.2 Å²	55.2	83%	0.832	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-64	125.4	175.5	-79	-175.5	-17.9	0	0	109.6	P352	P352-Q362 WeakPolarHBondContact CG-O 3.43Å
363	P	72.4	Confident	62.8	Low	39 Å²	39	55.3 Å²	55.3	25%	0.253	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-62	152	178.6	25.1	-32.2	0	0	0	111.4	E231 M233 F254	E231-P363 HydrophobicContact CB-CB 4.05Å; E231-P363 HydrophobicContact CB-CG 4.33Å; E231-P363 HydrophobicContact CG-CG 4.44Å; E231-P363 WeakPolarHBondContact OE2-CG 3.27Å; M233-P363 HydrophobicContact CE-CB 4.39Å; F254-P363 HydrophobicContact CE2-CB 3.88Å; F254-P363 HydrophobicContact CE2-CG 4.28Å; F254-P363 HydrophobicContact CZ-CB 4.21Å
364	A	72.8	Confident	61.1	Low	18 Å²	18	55.4 Å²	55.4	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.7	179.3	0	0	0	0	0	110.2	A232 V349 L366	A232-A364 PolarHBondContact N-O 3.34Å; A232-A364 PolarHBondContact O-N 2.83Å; V349-A364 HydrophobicContact CG1-CB 4.26Å; A364-L366 PolarHBondContact O-N 2.85Å
365	S	68.6	Low	59.6	Low	42 Å²	42	55 Å²	55	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.9	167.2	176.7	0	0	0	0	108.7	V230 E367 P368 L369	V230-S365 WeakPolarHBondContact O-CA 3.41Å; S365-E367 VanDerWaalsContact C-N 3.33Å; S365-P368 WeakPolarHBondContact OG-CD 3.33Å; S365-L369 WeakPolarHBondContact O-CD1 3.48Å
366	L	60.1	Low	58.5	Low	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.313	C	S	.	.	S	Bend	trans	-74.3	-24.7	-176.8	-67.5	173.6	0	0	0	112.4	V230 A232 F282 L285 V323 F325 A364 L369 F370	V230-L366 HydrophobicContact CG1-CD1 4.12Å; V230-L366 PolarHBondContact O-N 3.04Å; A232-L366 HydrophobicContact CB-CD1 3.85Å; A232-L366 HydrophobicContact CB-CD2 3.61Å; A232-L366 HydrophobicContact CB-CG 3.59Å; F282-L366 HydrophobicContact CD2-CB 4.06Å; F282-L366 HydrophobicContact CE2-CB 3.41Å; F282-L366 VanDerWaalsContact CE2-CB 3.41Å; F282-L366 WeakPolarHBondContact CE2-O 3.26Å; F282-L366 HydrophobicContact CZ-CB 4.38Å; L285-L366 HydrophobicContact CD1-CD1 4.3Å; V323-L366 HydrophobicContact CB-CD1 4.44Å; V323-L366 HydrophobicContact CG2-CD1 3.97Å; F325-L366 HydrophobicContact CE2-CD2 4.38Å; A364-L366 PolarHBondContact O-N 2.85Å; L366-L369 PolarHBondContact O-N 3.43Å; L366-F370 PolarHBondContact O-N 2.51Å
367	E	56	Low	57.6	Low	41 Å²	41	55.3 Å²	55.3	19%	0.192	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-50	-168.9	-175.9	-166.2	180	0	0	115	V227 F282 S365 L369 F370 W371	V227-E367 WeakPolarHBondContact CG1-OE1 3.47Å; V227-E367 WeakPolarHBondContact CG1-OE2 3.26Å; F282-E367 HydrophobicContact CE2-CB 4.47Å; F282-E367 HydrophobicContact CZ-CB 3.71Å; F282-E367 HydrophobicContact CZ-CG 4.19Å; S365-E367 VanDerWaalsContact C-N 3.33Å; E367-L369 PolarHBondContact O-N 3.27Å; E367-F370 PolarHBondContact O-N 3.04Å; E367-W371 PolarHBondContact O-N 2.92Å
368	P	52.1	Low	56.9	Low	70 Å²	70	51.3 Å²	51.3	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-27.5	178.9	-24.4	35.2	0	0	0	112.3	S365 W371 D372	S365-P368 WeakPolarHBondContact OG-CD 3.33Å; P368-W371 WeakPolarHBondContact O-CB 3.2Å; P368-W371 PolarHBondContact O-N 3.17Å; P368-D372 PolarHBondContact O-N 2.76Å
369	L	51.9	Low	56.2	Low	38 Å²	38	52 Å²	52	20%	0.199	30%	0.299	C	S	.	.	H	α-helix	trans	-92.1	-27	-172.5	-56.4	126.2	0	0	0	113.2	V349 S365 L366 E367 W371 W373	V349-L369 HydrophobicContact CB-CB 4.43Å; V349-L369 HydrophobicContact CB-CD1 3.8Å; V349-L369 HydrophobicContact CB-CD2 3.89Å; V349-L369 HydrophobicContact CB-CG 4.17Å; V349-L369 HydrophobicContact CG1-CD1 3.19Å; V349-L369 HydrophobicContact CG1-CD2 3.92Å; V349-L369 HydrophobicContact CG1-CG 4.01Å; V349-L369 HydrophobicContact CG2-CB 3.34Å; V349-L369 HydrophobicContact CG2-CD1 3.49Å; V349-L369 VanDerWaalsContact CG2-CD1 3.49Å; V349-L369 HydrophobicContact CG2-CD2 3.63Å; V349-L369 HydrophobicContact CG2-CG 3.59Å; S365-L369 WeakPolarHBondContact O-CD1 3.48Å; L366-L369 PolarHBondContact O-N 3.43Å; E367-L369 PolarHBondContact O-N 3.27Å; L369-W371 PolarHBondContact O-N 3.44Å; L369-W373 WeakPolarHBondContact O-CA 3.45Å; L369-W373 WeakPolarHBondContact O-CB 3.27Å; L369-W373 PolarHBondContact O-N 3.33Å
370	F	51.4	Low	55.1	Low	1 Å²	1	48 Å²	48	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-43.6	163.2	-179.6	-102.1	0	0	0	109.5	I278 P279 F282 L366 E367 L374 L410 F415	I278-F370 HydrophobicContact CG2-CB 4.23Å; I278-F370 HydrophobicContact CG2-CD2 4.15Å; P279-F370 HydrophobicContact CB-CE2 4.17Å; F282-F370 HydrophobicContact CB-CD2 3.71Å; F282-F370 HydrophobicContact CB-CE2 4.07Å; F282-F370 HydrophobicContact CB-CG 4.24Å; F282-F370 HydrophobicContact CD1-CB 4.19Å; F282-F370 HydrophobicContact CD1-CD1 4.22Å; F282-F370 HydrophobicContact CD1-CD2 4.25Å; F282-F370 AromaticContact CD1-CG 3.95Å; F282-F370 HydrophobicContact CD1-CG 3.95Å; F282-F370 HydrophobicContact CD2-CB 3.73Å; F282-F370 HydrophobicContact CD2-CD2 4.29Å; F282-F370 HydrophobicContact CD2-CG 4.16Å; F282-F370 HydrophobicContact CE1-CB 4.34Å; F282-F370 HydrophobicContact CE1-CG 4.46Å; F282-F370 HydrophobicContact CE2-CB 3.9Å; F282-F370 HydrophobicContact CG-CB 3.91Å; F282-F370 AromaticContact CG-CD2 3.8Å; F282-F370 HydrophobicContact CG-CD2 3.8Å; F282-F370 HydrophobicContact CG-CE2 4.48Å; F282-F370 AromaticContact CG-CG 3.81Å; F282-F370 HydrophobicContact CG-CG 3.81Å; F282-F370 HydrophobicContact CZ-CB 4.25Å; L366-F370 PolarHBondContact O-N 2.51Å; E367-F370 PolarHBondContact O-N 3.04Å; F370-L374 HydrophobicContact CD1-CD1 3.56Å; F370-L374 HydrophobicContact CD2-CD1 4.21Å; F370-L374 HydrophobicContact CE1-CD1 3.06Å; F370-L374 HydrophobicContact CE2-CD1 3.79Å; F370-L374 HydrophobicContact CG-CD1 4.12Å; F370-L374 HydrophobicContact CZ-CD1 3.22Å; F370-L374 HydrophobicContact CZ-CG 4.5Å; F370-L374 WeakPolarHBondContact O-CB 3.4Å; F370-L374 WeakPolarHBondContact O-CD1 3.18Å; F370-L374 PolarHBondContact O-N 3.01Å; F370-L410 HydrophobicContact CE2-CD2 4.47Å; F370-L410 HydrophobicContact CZ-CD1 4.27Å; F370-L410 HydrophobicContact CZ-CD2 3.69Å; F370-F415 HydrophobicContact CD1-CD1 4.17Å; F370-F415 AromaticContact CD1-CE1 3.37Å; F370-F415 HydrophobicContact CD1-CE1 3.37Å; F370-F415 HydrophobicContact CD1-CE2 4.25Å; F370-F415 AromaticContact CD1-CZ 3.42Å; F370-F415 HydrophobicContact CD1-CZ 3.42Å; F370-F415 VanDerWaalsContact CD1-CZ 3.42Å; F370-F415 AromaticContact CE1-CD1 3.51Å; F370-F415 HydrophobicContact CE1-CD1 3.51Å; F370-F415 HydrophobicContact CE1-CD2 4.09Å; F370-F415 AromaticContact CE1-CE1 3.16Å; F370-F415 HydrophobicContact CE1-CE1 3.16Å; F370-F415 AromaticContact CE1-CE2 3.81Å; F370-F415 HydrophobicContact CE1-CE2 3.81Å; F370-F415 AromaticContact CE1-CG 3.96Å; F370-F415 HydrophobicContact CE1-CG 3.96Å; F370-F415 AromaticContact CE1-CZ 3.33Å; F370-F415 HydrophobicContact CE1-CZ 3.33Å; F370-F415 HydrophobicContact CZ-CE1 4.39Å; F370-F415 HydrophobicContact CZ-CE2 4.5Å; F370-F415 HydrophobicContact CZ-CZ 4.38Å
371	W	50	Low	53.9	Low	39 Å²	39	50.3 Å²	50.3	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-47.8	175.1	-73.3	115.7	0	0	0	113.8	E367 P368 L369 W373 L374 N375 H381 F415	E367-W371 PolarHBondContact O-N 2.92Å; P368-W371 WeakPolarHBondContact O-CB 3.2Å; P368-W371 PolarHBondContact O-N 3.17Å; L369-W371 PolarHBondContact O-N 3.44Å; W371-W373 VanDerWaalsContact C-N 3.31Å; W371-W373 PolarHBondContact O-N 3.38Å; W371-L374 PolarHBondContact O-N 3.23Å; W371-N375 VanDerWaalsContact O-CB 3.31Å; W371-N375 WeakPolarHBondContact O-CB 3.46Å; W371-N375 VanDerWaalsContact O-CG 3.31Å; W371-N375 PolarHBondContact O-N 3.49Å; W371-N375 PolarHBondContact O-ND2 3.46Å; W371-H381 AromaticContact CD2-CE1 3.91Å; W371-H381 AromaticContact CD2-ND1 3.46Å; W371-H381 AromaticContact CE3-ND1 3.52Å; W371-H381 AromaticContact CG-CE1 3.69Å; W371-H381 AromaticContact CG-ND1 3.69Å; W371-F415 HydrophobicContact CD2-CE1 4.26Å; W371-F415 AromaticContact CE2-CE1 3.54Å; W371-F415 AromaticContact CH2-CD1 3.51Å; W371-F415 HydrophobicContact CH2-CD1 3.51Å; W371-F415 AromaticContact CH2-CE1 3.77Å; W371-F415 HydrophobicContact CH2-CE1 3.77Å; W371-F415 AromaticContact CZ2-CD1 3.5Å; W371-F415 HydrophobicContact CZ2-CD1 3.5Å; W371-F415 AromaticContact CZ2-CE1 3.28Å; W371-F415 HydrophobicContact CZ2-CE1 3.28Å; W371-F415 HydrophobicContact CZ2-CZ 4.47Å; W371-F415 HydrophobicContact CZ3-CD1 4.2Å; W371-F415 HydrophobicContact CZ3-CE1 4.42Å; W371-F415 AromaticContact NE1-CE1 3.95Å
372	D	49.9	Very low	52.6	Low	73 Å²	73	52.3 Å²	52.3	39%	0.39	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177	-80.5	-15.9	0	0	0	112	P368 G376 G377	P368-D372 PolarHBondContact O-N 2.76Å; D372-G376 WeakPolarHBondContact O-CA 3.33Å; D372-G376 PolarHBondContact O-N 2.8Å; D372-G377 PolarHBondContact O-N 3.21Å; D372-G377 VanDerWaalsContact O-N 3.17Å
373	W	46.8	Very low	50.9	Low	18 Å²	18	46.1 Å²	46.1	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-46.3	173	178.7	91	0	0	0	110.2	I278 P279 L369 W371 L390 R393 M406	I278-W373 HydrophobicContact CD1-CB 4.43Å; P279-W373 HydrophobicContact CB-CH2 4.31Å; P279-W373 HydrophobicContact CB-CZ3 4.29Å; P279-W373 HydrophobicContact CG-CD2 4.31Å; P279-W373 HydrophobicContact CG-CE3 3.97Å; P279-W373 HydrophobicContact CG-CH2 3.3Å; P279-W373 HydrophobicContact CG-CZ2 3.64Å; P279-W373 HydrophobicContact CG-CZ3 3.48Å; P279-W373 VanDerWaalsContact CG-CZ3 3.48Å; L369-W373 WeakPolarHBondContact O-CA 3.45Å; L369-W373 WeakPolarHBondContact O-CB 3.27Å; L369-W373 PolarHBondContact O-N 3.33Å; W371-W373 VanDerWaalsContact C-N 3.31Å; W371-W373 PolarHBondContact O-N 3.38Å; W373-L390 HydrophobicContact CH2-CD1 3.71Å; W373-L390 HydrophobicContact CZ3-CD1 3.72Å; W373-R393 PolarHBondContact O-NH1 3.11Å; W373-R393 PolarHBondContact O-NH2 3.07Å; W373-M406 HydrophobicContact CH2-SD 4.38Å
374	L	45.7	Very low	49.3	Very low	8 Å²	8	46.2 Å²	46.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-46.5	176.7	-96.4	144.3	0	0	0	113	F370 W371 G376 A386 N389 L390	F370-L374 HydrophobicContact CD1-CD1 3.56Å; F370-L374 HydrophobicContact CD2-CD1 4.21Å; F370-L374 HydrophobicContact CE1-CD1 3.06Å; F370-L374 HydrophobicContact CE2-CD1 3.79Å; F370-L374 HydrophobicContact CG-CD1 4.12Å; F370-L374 HydrophobicContact CZ-CD1 3.22Å; F370-L374 HydrophobicContact CZ-CG 4.5Å; F370-L374 WeakPolarHBondContact O-CB 3.4Å; F370-L374 WeakPolarHBondContact O-CD1 3.18Å; F370-L374 PolarHBondContact O-N 3.01Å; W371-L374 PolarHBondContact O-N 3.23Å; L374-G376 VanDerWaalsContact C-N 3.34Å; L374-G376 PolarHBondContact O-N 2.82Å; L374-A386 HydrophobicContact CB-CB 4.38Å; L374-A386 HydrophobicContact CD2-CB 3.97Å; L374-N389 VanDerWaalsContact O-CB 3.25Å; L374-N389 WeakPolarHBondContact O-CB 3.48Å; L374-N389 PolarHBondContact O-ND2 2.8Å; L374-L390 HydrophobicContact CD2-CD1 4.08Å
375	N	48.2	Very low	47.8	Very low	3 Å²	3	48.7 Å²	48.7	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-88.3	-0.8	-170.4	-62.2	-22.5	0	0	0	113.3	W371 G377 S378 G380 A386 N389	W371-N375 VanDerWaalsContact O-CB 3.31Å; W371-N375 WeakPolarHBondContact O-CB 3.46Å; W371-N375 VanDerWaalsContact O-CG 3.31Å; W371-N375 PolarHBondContact O-N 3.49Å; W371-N375 PolarHBondContact O-ND2 3.46Å; N375-G377 VanDerWaalsContact C-N 3.26Å; N375-G377 PolarHBondContact O-N 3.25Å; N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.01Å; N375-S378 VanDerWaalsContact O-N 3.12Å; N375-S378 PolarHBondContact O-OG 2.7Å; N375-G380 PolarHBondContact ND2-O 2.77Å; N375-A386 WeakPolarHBondContact OD1-CB 3.27Å; N375-N389 PolarHBondContact O-ND2 2.95Å
376	G	48.9	Very low	46.6	Very low	34 Å²	34	46.8 Å²	46.8	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	29.1	179.2	0	0	0	0	0	114.1	D372 L374 S378 R393	D372-G376 WeakPolarHBondContact O-CA 3.33Å; D372-G376 PolarHBondContact O-N 2.8Å; L374-G376 VanDerWaalsContact C-N 3.34Å; L374-G376 PolarHBondContact O-N 2.82Å; G376-S378 VanDerWaalsContact C-N 3.26Å; G376-S378 PolarHBondContact O-N 2.59Å; G376-R393 VanDerWaalsContact CA-NH2 3.27Å
377	G	46.3	Very low	45.7	Very low	38 Å²	38	51.2 Å²	51.2	39%	0.392	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.9	-175.6	0	0	0	0	0	114.5	D372 N375	D372-G377 PolarHBondContact O-N 3.21Å; D372-G377 VanDerWaalsContact O-N 3.17Å; N375-G377 VanDerWaalsContact C-N 3.26Å; N375-G377 PolarHBondContact O-N 3.25Å
378	S	46	Very low	45	Very low	32 Å²	32	55.4 Å²	55.4	22%	0.224	31%	0.311	C	S	.	.			trans	-74.6	130.6	169.1	63.9	0	0	0	0	110.1	N375 G376 G380 M385	N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.01Å; N375-S378 VanDerWaalsContact O-N 3.12Å; N375-S378 PolarHBondContact O-OG 2.7Å; G376-S378 VanDerWaalsContact C-N 3.26Å; G376-S378 PolarHBondContact O-N 2.59Å; S378-G380 PolarHBondContact O-N 2.78Å; S378-M385 VanDerWaalsContact CB-CE 3.46Å; S378-M385 WeakPolarHBondContact OG-CE 2.96Å
379	H	43.3	Very low	44.6	Very low	195 Å²	195	54.2 Å²	54.2	90%	0.903	30%	0.3	S	S	*	.	S	Bend	trans	-69.4	5.7	-177.8	-68.7	-51.2	0	0	0	114.4
380	G	40.1	Very low	44.1	Very low	32 Å²	32	52.9 Å²	52.9	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	-103	128.2	173.5	0	0	0	0	0	110	N375 S378 D382	N375-G380 PolarHBondContact ND2-O 2.77Å; S378-G380 PolarHBondContact O-N 2.78Å; G380-D382 PolarHBondContact O-N 3.27Å
381	H	39.2	Very low	43.6	Very low	117 Å²	117	56.1 Å²	56.1	54%	0.542	32%	0.32	S	S	.	.			trans	-71.7	47.2	162	-59	-75.6	0	0	0	110.7	W371 V383	W371-H381 AromaticContact CD2-CE1 3.91Å; W371-H381 AromaticContact CD2-ND1 3.46Å; W371-H381 AromaticContact CE3-ND1 3.52Å; W371-H381 AromaticContact CG-CE1 3.69Å; W371-H381 AromaticContact CG-ND1 3.69Å; H381-V383 PolarHBondContact O-N 2.98Å
382	D	39.7	Very low	43.1	Very low	76 Å²	76	58 Å²	58	41%	0.406	34%	0.344	S	S	.	.			trans	-78	111.4	-180	-171	-32.7	0	0	0	109.1	G380 G384 M385 A386	G380-D382 PolarHBondContact O-N 3.27Å; D382-G384 PolarHBondContact O-N 3.05Å; D382-G384 PolarHBondContact OD1-N 3.31Å; D382-M385 HydrophobicContact CB-CB 4.3Å; D382-M385 HydrophobicContact CB-CE 4.34Å; D382-M385 PolarHBondContact O-N 3.35Å; D382-A386 PolarHBondContact O-N 3.19Å
383	V	39.2	Very low	42.6	Very low	47 Å²	47	56.8 Å²	56.8	29%	0.285	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-35.9	-177.8	178.3	0	0	0	0	111.9	H381 A386 W387 W416	H381-V383 PolarHBondContact O-N 2.98Å; V383-A386 PolarHBondContact O-N 3.5Å; V383-W387 PolarHBondContact O-N 3.03Å; V383-W416 HydrophobicContact CG1-CB 4.36Å; V383-W416 VanDerWaalsContact CG1-CD1 3.49Å; V383-W416 HydrophobicContact CG1-CD2 4.33Å; V383-W416 HydrophobicContact CG1-CG 3.8Å; V383-W416 HydrophobicContact CG2-CB 4.48Å; V383-W416 HydrophobicContact CG2-CG 4.39Å
384	G	39.4	Very low	41.9	Very low	41 Å²	41	59.3 Å²	59.3	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-45	178.4	0	0	0	0	0	111.2	D382 W387 E388	D382-G384 PolarHBondContact O-N 3.05Å; D382-G384 PolarHBondContact OD1-N 3.31Å; G384-W387 PolarHBondContact O-N 2.95Å; G384-E388 PolarHBondContact O-N 3.17Å
385	M	41.7	Very low	41.3	Very low	71 Å²	71	63.2 Å²	63.2	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-68.4	-36.4	174.9	-80.1	-148.9	-62.5	0	0	112.8	S378 D382 W387 E388 N389	S378-M385 VanDerWaalsContact CB-CE 3.46Å; S378-M385 WeakPolarHBondContact OG-CE 2.96Å; D382-M385 HydrophobicContact CB-CB 4.3Å; D382-M385 HydrophobicContact CB-CE 4.34Å; D382-M385 PolarHBondContact O-N 3.35Å; M385-W387 VanDerWaalsContact C-N 3.28Å; M385-W387 PolarHBondContact O-N 3.26Å; M385-E388 PolarHBondContact O-N 3.26Å; M385-N389 WeakPolarHBondContact O-CB 3.37Å; M385-N389 PolarHBondContact O-N 3.23Å; M385-N389 PolarHBondContact O-ND2 3.2Å
386	A	42.9	Very low	40.5	Very low	1 Å²	1	63.8 Å²	63.8	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-41.6	174.4	0	0	0	0	0	111.3	L374 N375 D382 V383 L390	L374-A386 HydrophobicContact CB-CB 4.38Å; L374-A386 HydrophobicContact CD2-CB 3.97Å; N375-A386 WeakPolarHBondContact OD1-CB 3.27Å; D382-A386 PolarHBondContact O-N 3.19Å; V383-A386 PolarHBondContact O-N 3.5Å; A386-L390 WeakPolarHBondContact O-CB 3.1Å; A386-L390 PolarHBondContact O-N 3Å
387	W	40.6	Very low	39.4	Very low	100 Å²	100	64 Å²	64	38%	0.379	38%	0.38	S	S	.	.	H	α-helix	trans	-66	-51.3	175	-174.9	-94.5	0	0	0	112.4	V383 G384 M385 N389 L390 A391 A407 F411 W416	V383-W387 PolarHBondContact O-N 3.03Å; G384-W387 PolarHBondContact O-N 2.95Å; M385-W387 VanDerWaalsContact C-N 3.28Å; M385-W387 PolarHBondContact O-N 3.26Å; W387-N389 PolarHBondContact O-N 3.09Å; W387-L390 PolarHBondContact O-N 2.82Å; W387-L390 VanDerWaalsContact O-N 3.17Å; W387-A391 WeakPolarHBondContact O-CB 3.21Å; W387-A391 PolarHBondContact O-N 2.99Å; W387-A407 HydrophobicContact CE3-CB 4.34Å; W387-A407 HydrophobicContact CH2-CB 3.61Å; W387-A407 HydrophobicContact CZ3-CB 3.38Å; W387-F411 HydrophobicContact CZ3-CD2 4.17Å; W387-F411 HydrophobicContact CZ3-CE2 4.2Å; W387-W416 HydrophobicContact CE3-CH2 4.19Å; W387-W416 HydrophobicContact CE3-CZ2 4.35Å; W387-W416 HydrophobicContact CZ3-CH2 4.08Å
388	E	41.1	Very low	38.4	Very low	130 Å²	130	69.6 Å²	69.6	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-56	-42.4	175.1	-88	-169	151.1	0	0	111	G384 M385 A391 A392	G384-E388 PolarHBondContact O-N 3.17Å; M385-E388 PolarHBondContact O-N 3.26Å; E388-A391 PolarHBondContact O-N 3.18Å; E388-A392 WeakPolarHBondContact O-CA 3.21Å; E388-A392 WeakPolarHBondContact O-CB 3.29Å; E388-A392 PolarHBondContact O-N 3.21Å
389	N	44	Very low	37.8	Very low	44 Å²	44	72.9 Å²	72.9	24%	0.235	41%	0.41	C	S	.	.	H	α-helix	trans	-66.9	-40.9	177.7	-77	-39.5	0	0	0	112.4	L374 N375 M385 W387 R393	L374-N389 VanDerWaalsContact O-CB 3.25Å; L374-N389 WeakPolarHBondContact O-CB 3.48Å; L374-N389 PolarHBondContact O-ND2 2.8Å; N375-N389 PolarHBondContact O-ND2 2.95Å; M385-N389 WeakPolarHBondContact O-CB 3.37Å; M385-N389 PolarHBondContact O-N 3.23Å; M385-N389 PolarHBondContact O-ND2 3.2Å; W387-N389 PolarHBondContact O-N 3.09Å; N389-R393 WeakPolarHBondContact O-CB 3.39Å; N389-R393 WeakPolarHBondContact O-CG 3.41Å; N389-R393 PolarHBondContact O-N 3.09Å
390	L	41.8	Very low	37.2	Very low	11 Å²	11	68.1 Å²	68.1	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.2	-157.5	101.6	0	0	0	110.7	W373 L374 A386 W387 A403 A407	W373-L390 HydrophobicContact CH2-CD1 3.71Å; W373-L390 HydrophobicContact CZ3-CD1 3.72Å; L374-L390 HydrophobicContact CD2-CD1 4.08Å; A386-L390 WeakPolarHBondContact O-CB 3.1Å; A386-L390 PolarHBondContact O-N 3Å; W387-L390 PolarHBondContact O-N 2.82Å; W387-L390 VanDerWaalsContact O-N 3.17Å; L390-A403 HydrophobicContact CD2-CB 4.17Å; L390-A403 WeakPolarHBondContact CD2-O 3.17Å; L390-A407 HydrophobicContact CD2-CB 4.06Å
391	A	40.2	Very low	36.8	Very low	68 Å²	68	71.3 Å²	71.3	56%	0.562	41%	0.409	S	S	*	.	H	α-helix	trans	-70	-37.5	178.6	0	0	0	0	0	112.7	W387 E388	W387-A391 WeakPolarHBondContact O-CB 3.21Å; W387-A391 PolarHBondContact O-N 2.99Å; E388-A391 PolarHBondContact O-N 3.18Å
392	A	40	Very low	36.4	Very low	79 Å²	79	67.9 Å²	67.9	65%	0.653	40%	0.399	S	S	*	.	H	α-helix	trans	-78.5	-21.6	178.8	0	0	0	0	0	112.7	E388 S394	E388-A392 WeakPolarHBondContact O-CA 3.21Å; E388-A392 WeakPolarHBondContact O-CB 3.29Å; E388-A392 PolarHBondContact O-N 3.21Å; A392-S394 PolarHBondContact O-N 3.37Å
393	R	39.4	Very low	36.2	Very low	47 Å²	47	65 Å²	65	18%	0.177	39%	0.385	C	S	.	.			trans	-77	96.4	174.7	-79.7	178.4	-172.9	-174.5	18.3	110.4	L347 W373 G376 N389 Q395 A396	L347-R393 VanDerWaalsContact CD1-NH2 3.27Å; W373-R393 PolarHBondContact O-NH1 3.11Å; W373-R393 PolarHBondContact O-NH2 3.07Å; G376-R393 VanDerWaalsContact CA-NH2 3.27Å; N389-R393 WeakPolarHBondContact O-CB 3.39Å; N389-R393 WeakPolarHBondContact O-CG 3.41Å; N389-R393 PolarHBondContact O-N 3.09Å; R393-Q395 PolarHBondContact O-N 3.31Å; R393-A396 PolarHBondContact O-N 2.88Å; R393-A396 VanDerWaalsContact O-N 3.09Å
394	S	32.7	Very low	36	Very low	71 Å²	71	67.1 Å²	67.1	50%	0.497	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-10	162.5	57	0	0	0	0	115.2	A392 G397 L398	A392-S394 PolarHBondContact O-N 3.37Å; S394-G397 CarbonylContact O-C 3.6Å; S394-L398 PolarHBondContact O-N 3.11Å
395	Q	32.4	Very low	35.8	Very low	90 Å²	90	68 Å²	68	42%	0.421	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6	-177.7	-59.7	-172.8	11.1	0	0	114.2	R275 R393 G397	R275-Q395 VanDerWaalsContact CD-OE1 3.24Å; R393-Q395 PolarHBondContact O-N 3.31Å; Q395-G397 PolarHBondContact O-N 2.74Å
396	A	30.9	Very low	35.7	Very low	15 Å²	15	67 Å²	67	12%	0.124	39%	0.386	C	S	.	.	S	Bend	trans	-71.8	25.9	166.7	0	0	0	0	0	112.5	R393 S402 A403	R393-A396 PolarHBondContact O-N 2.88Å; R393-A396 VanDerWaalsContact O-N 3.09Å; A396-S402 WeakPolarHBondContact O-CB 3.4Å; A396-A403 HydrophobicContact CB-CB 4.29Å
397	G	26.7	Very low	35.5	Very low	39 Å²	39	67 Å²	67	40%	0.402	39%	0.386	S	S	.	.			trans	79.2	138.2	-153.5	0	0	0	0	0	109.4	S394 Q395 K399	S394-G397 CarbonylContact O-C 3.6Å; Q395-G397 PolarHBondContact O-N 2.74Å; G397-K399 PolarHBondContact O-N 3.26Å
398	L	25.8	Very low	35.3	Very low	155 Å²	155	63.9 Å²	63.9	81%	0.812	38%	0.382	S	S	*	.	S	Bend	trans	-63.6	20.2	179.2	-81.3	158	0	0	0	114	S394	S394-L398 PolarHBondContact O-N 3.11Å
399	K	32.2	Very low	35.1	Very low	102 Å²	102	59.6 Å²	59.6	44%	0.443	36%	0.362	S	S	.	.	S	Bend	trans	-132.4	127.6	-171.7	-66.3	-171.9	-175.8	174.7	0	111	W74 G397 V401 S402	W74-K399 PolarHBondContact O-NZ 3.49Å; G397-K399 PolarHBondContact O-N 3.26Å; K399-V401 PolarHBondContact O-N 3.31Å; K399-V401 VanDerWaalsContact O-N 3.09Å; K399-S402 PolarHBondContact O-N 3.44Å
400	P	30.6	Very low	34.8	Very low	95 Å²	95	58 Å²	58	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-51.1	-33.9	174.8	-26.3	32.8	0	0	0	112.7	S402 A403 I404	P400-S402 PolarHBondContact O-N 3.36Å; P400-A403 CarbonylContact O-C 3.41Å; P400-A403 PolarHBondContact O-N 3.25Å; P400-I404 HydrophobicContact CB-CD1 3.98Å; P400-I404 VanDerWaalsContact O-CB 3.28Å; P400-I404 WeakPolarHBondContact O-CB 3.45Å; P400-I404 WeakPolarHBondContact O-CD1 3.4Å; P400-I404 WeakPolarHBondContact O-CG1 3.1Å; P400-I404 PolarHBondContact O-N 3.01Å
401	V	31.5	Very low	34.6	Very low	98 Å²	98	61.8 Å²	61.8	59%	0.594	37%	0.369	S	S	*	.	H	α-helix	trans	-61.8	-44.7	-178.5	-178.4	0	0	0	0	112.2	K399 A403 I404 T405	K399-V401 PolarHBondContact O-N 3.31Å; K399-V401 VanDerWaalsContact O-N 3.09Å; V401-A403 VanDerWaalsContact C-N 3.31Å; V401-A403 PolarHBondContact O-N 2.92Å; V401-I404 CarbonylContact O-C 3.57Å; V401-I404 PolarHBondContact O-N 2.95Å; V401-I404 VanDerWaalsContact O-N 3.14Å; V401-T405 WeakPolarHBondContact O-CB 3.07Å; V401-T405 PolarHBondContact O-N 3.11Å; V401-T405 PolarHBondContact O-OG1 3.32Å
402	S	32.4	Very low	34.3	Very low	46 Å²	46	61.5 Å²	61.5	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-42.3	177.7	-56.5	0	0	0	0	111.6	A396 K399 P400 M406	A396-S402 WeakPolarHBondContact O-CB 3.4Å; K399-S402 PolarHBondContact O-N 3.44Å; P400-S402 PolarHBondContact O-N 3.36Å; S402-M406 WeakPolarHBondContact O-CB 3.49Å; S402-M406 PolarHBondContact O-N 3.46Å
403	A	34.8	Very low	34.1	Very low	14 Å²	14	59.8 Å²	59.8	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-38.6	174.4	0	0	0	0	0	111.7	L390 A396 P400 V401 A407	L390-A403 HydrophobicContact CD2-CB 4.17Å; L390-A403 WeakPolarHBondContact CD2-O 3.17Å; A396-A403 HydrophobicContact CB-CB 4.29Å; P400-A403 CarbonylContact O-C 3.41Å; P400-A403 PolarHBondContact O-N 3.25Å; V401-A403 VanDerWaalsContact C-N 3.31Å; V401-A403 PolarHBondContact O-N 2.92Å; A403-A407 WeakPolarHBondContact O-CA 3.35Å; A403-A407 WeakPolarHBondContact O-CB 3.41Å; A403-A407 PolarHBondContact O-N 3.14Å
404	I	35.1	Very low	34.1	Very low	93 Å²	93	59.4 Å²	59.4	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-42.5	177.5	-71.2	161.4	0	0	0	110.9	P400 V401 A407 A408	P400-I404 HydrophobicContact CB-CD1 3.98Å; P400-I404 VanDerWaalsContact O-CB 3.28Å; P400-I404 WeakPolarHBondContact O-CB 3.45Å; P400-I404 WeakPolarHBondContact O-CD1 3.4Å; P400-I404 WeakPolarHBondContact O-CG1 3.1Å; P400-I404 PolarHBondContact O-N 3.01Å; V401-I404 CarbonylContact O-C 3.57Å; V401-I404 PolarHBondContact O-N 2.95Å; V401-I404 VanDerWaalsContact O-N 3.14Å; I404-A407 PolarHBondContact O-N 2.8Å; I404-A408 WeakPolarHBondContact O-CA 3.46Å; I404-A408 WeakPolarHBondContact O-CB 3.43Å; I404-A408 PolarHBondContact O-N 3.42Å
405	T	35.7	Very low	34	Very low	58 Å²	58	57.1 Å²	57.1	36%	0.356	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-45.7	177.2	-49.4	0	0	0	0	109.6	V401 A408 E409	V401-T405 WeakPolarHBondContact O-CB 3.07Å; V401-T405 PolarHBondContact O-N 3.11Å; V401-T405 PolarHBondContact O-OG1 3.32Å; T405-A408 PolarHBondContact O-N 3.37Å; T405-E409 VanDerWaalsContact O-CB 3.25Å; T405-E409 WeakPolarHBondContact O-CB 3.4Å; T405-E409 PolarHBondContact O-N 3.18Å
406	M	38.2	Very low	34.2	Very low	50 Å²	50	54.2 Å²	54.2	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-41.8	175.7	-163.9	-177.6	-54.9	0	0	111.2	P279 W373 S402 E409 L410	P279-M406 HydrophobicContact CB-SD 3.63Å; P279-M406 HydrophobicContact CG-SD 4.01Å; W373-M406 HydrophobicContact CH2-SD 4.38Å; S402-M406 WeakPolarHBondContact O-CB 3.49Å; S402-M406 PolarHBondContact O-N 3.46Å; M406-E409 PolarHBondContact O-N 2.95Å; M406-L410 HydrophobicContact CG-CD1 4.36Å; M406-L410 WeakPolarHBondContact O-CB 3.46Å; M406-L410 WeakPolarHBondContact O-CG 3.19Å; M406-L410 PolarHBondContact O-N 3.16Å
407	A	38.6	Very low	34.2	Very low	2 Å²	2	57.5 Å²	57.5	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-44.1	173.4	0	0	0	0	0	111.9	W387 L390 A403 I404 E409 L410 F411	W387-A407 HydrophobicContact CE3-CB 4.34Å; W387-A407 HydrophobicContact CH2-CB 3.61Å; W387-A407 HydrophobicContact CZ3-CB 3.38Å; L390-A407 HydrophobicContact CD2-CB 4.06Å; A403-A407 WeakPolarHBondContact O-CA 3.35Å; A403-A407 WeakPolarHBondContact O-CB 3.41Å; A403-A407 PolarHBondContact O-N 3.14Å; I404-A407 PolarHBondContact O-N 2.8Å; A407-E409 VanDerWaalsContact C-N 3.29Å; A407-E409 PolarHBondContact O-N 2.86Å; A407-L410 CarbonylContact O-C 3.59Å; A407-L410 PolarHBondContact O-N 3.44Å; A407-F411 WeakPolarHBondContact O-CA 3.47Å; A407-F411 VanDerWaalsContact O-CB 3.26Å; A407-F411 WeakPolarHBondContact O-CB 3.27Å; A407-F411 PolarHBondContact O-N 3.14Å
408	A	36.8	Very low	34.3	Very low	34 Å²	34	61.7 Å²	61.7	28%	0.281	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-39.3	177.2	0	0	0	0	0	110	I404 T405 F411 T412	I404-A408 WeakPolarHBondContact O-CA 3.46Å; I404-A408 WeakPolarHBondContact O-CB 3.43Å; I404-A408 PolarHBondContact O-N 3.42Å; T405-A408 PolarHBondContact O-N 3.37Å; A408-F411 PolarHBondContact O-N 3.49Å; A408-T412 VanDerWaalsContact O-CB 3.29Å; A408-T412 WeakPolarHBondContact O-CB 3.36Å; A408-T412 WeakPolarHBondContact O-CG2 3.46Å; A408-T412 PolarHBondContact O-N 3.03Å; A408-T412 PolarHBondContact O-OG1 3.37Å
409	E	37.1	Very low	34.3	Very low	41 Å²	41	58.8 Å²	58.8	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-40.7	175	-163	160.4	-163.5	0	0	111.5	T405 M406 A407 T412 R413	T405-E409 VanDerWaalsContact O-CB 3.25Å; T405-E409 WeakPolarHBondContact O-CB 3.4Å; T405-E409 PolarHBondContact O-N 3.18Å; M406-E409 PolarHBondContact O-N 2.95Å; A407-E409 VanDerWaalsContact C-N 3.29Å; A407-E409 PolarHBondContact O-N 2.86Å; E409-T412 WeakPolarHBondContact CA-OG1 3.24Å; E409-T412 PolarHBondContact O-OG1 3.26Å; E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 WeakPolarHBondContact O-CD 3.18Å; E409-R413 WeakPolarHBondContact O-CG 3.5Å; E409-R413 PolarHBondContact O-N 3.36Å; E409-R413 IonicContact OE1-CZ 3.74Å; E409-R413 IonicContact OE1-NE 2.87Å; E409-R413 IonicContact OE1-NH2 2.72Å; E409-R413 PolarHBondContact OE1-NH2 3.2Å
410	L	38.6	Very low	33.8	Very low	9 Å²	9	60.1 Å²	60.1	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-69.4	-31	171.9	-67.4	171.7	0	0	0	112.7	F370 M406 A407 R413 K414 F415 W416	F370-L410 HydrophobicContact CE2-CD2 4.47Å; F370-L410 HydrophobicContact CZ-CD1 4.27Å; F370-L410 HydrophobicContact CZ-CD2 3.69Å; M406-L410 HydrophobicContact CG-CD1 4.36Å; M406-L410 WeakPolarHBondContact O-CB 3.46Å; M406-L410 WeakPolarHBondContact O-CG 3.19Å; M406-L410 PolarHBondContact O-N 3.16Å; A407-L410 CarbonylContact O-C 3.59Å; A407-L410 PolarHBondContact O-N 3.44Å; L410-R413 CarbonylContact O-C 3.47Å; L410-K414 PolarHBondContact O-N 3.1Å; L410-F415 PolarHBondContact O-N 3.12Å; L410-W416 HydrophobicContact CB-CH2 3.98Å; L410-W416 HydrophobicContact CB-CZ2 4.42Å; L410-W416 HydrophobicContact CB-CZ3 4.27Å
411	F	36	Very low	33.5	Very low	91 Å²	91	60.3 Å²	60.3	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-72.9	-50.3	177.8	-125	-67.3	0	0	0	110.8	F219 W387 A407 A408 R413 K414 W416	F219-F411 HydrophobicContact CZ-CE1 4.34Å; W387-F411 HydrophobicContact CZ3-CD2 4.17Å; W387-F411 HydrophobicContact CZ3-CE2 4.2Å; A407-F411 WeakPolarHBondContact O-CA 3.47Å; A407-F411 VanDerWaalsContact O-CB 3.26Å; A407-F411 WeakPolarHBondContact O-CB 3.27Å; A407-F411 PolarHBondContact O-N 3.14Å; A408-F411 PolarHBondContact O-N 3.49Å; F411-R413 PolarHBondContact O-N 3.4Å; F411-K414 WeakPolarHBondContact O-CG 3.5Å; F411-K414 PolarHBondContact O-N 3.38Å; F411-W416 HydrophobicContact CB-CE3 4.02Å; F411-W416 HydrophobicContact CB-CH2 4.44Å; F411-W416 HydrophobicContact CB-CZ3 3.41Å; F411-W416 VanDerWaalsContact CB-CZ3 3.41Å; F411-W416 AromaticContact CD1-CE3 3.87Å; F411-W416 HydrophobicContact CD1-CE3 3.87Å; F411-W416 AromaticContact CD1-CZ3 3.99Å; F411-W416 HydrophobicContact CD1-CZ3 3.99Å; F411-W416 AromaticContact CD2-CE3 3.5Å; F411-W416 HydrophobicContact CD2-CE3 3.5Å; F411-W416 VanDerWaalsContact CD2-CE3 3.5Å; F411-W416 AromaticContact CD2-CH2 3.65Å; F411-W416 HydrophobicContact CD2-CH2 3.65Å; F411-W416 AromaticContact CD2-CZ3 2.89Å; F411-W416 HydrophobicContact CD2-CZ3 2.89Å; F411-W416 HydrophobicContact CE1-CE3 4.12Å; F411-W416 HydrophobicContact CE1-CZ3 4.47Å; F411-W416 AromaticContact CE2-CE3 3.71Å; F411-W416 HydrophobicContact CE2-CE3 3.71Å; F411-W416 HydrophobicContact CE2-CH2 4.12Å; F411-W416 AromaticContact CE2-CZ3 3.47Å; F411-W416 HydrophobicContact CE2-CZ3 3.47Å; F411-W416 VanDerWaalsContact CE2-CZ3 3.47Å; F411-W416 AromaticContact CG-CE3 3.53Å; F411-W416 HydrophobicContact CG-CE3 3.53Å; F411-W416 HydrophobicContact CG-CH2 4.25Å; F411-W416 AromaticContact CG-CZ3 3.16Å; F411-W416 HydrophobicContact CG-CZ3 3.16Å; F411-W416 HydrophobicContact CZ-CE3 4.02Å; F411-W416 HydrophobicContact CZ-CZ3 4.24Å; F411-W416 VanDerWaalsContact N-CZ3 3.26Å
412	T	34.3	Very low	33.2	Very low	63 Å²	63	61.4 Å²	61.4	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-31.8	176.9	44.9	0	0	0	0	110.8	A408 E409	A408-T412 VanDerWaalsContact O-CB 3.29Å; A408-T412 WeakPolarHBondContact O-CB 3.36Å; A408-T412 WeakPolarHBondContact O-CG2 3.46Å; A408-T412 PolarHBondContact O-N 3.03Å; A408-T412 PolarHBondContact O-OG1 3.37Å; E409-T412 WeakPolarHBondContact CA-OG1 3.24Å; E409-T412 PolarHBondContact O-OG1 3.26Å
413	R	35.5	Very low	32.7	Very low	43 Å²	43	67.3 Å²	67.3	16%	0.162	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	173.8	-63.2	176.7	-168.7	-145.6	10.7	114.3	A283 F290 E409 L410 F411 F415	A283-R413 PolarHBondContact O-NH1 3.27Å; F290-R413 HydrophobicContact CD1-CB 3.92Å; F290-R413 WeakPolarHBondContact CD1-O 3.3Å; F290-R413 HydrophobicContact CE1-CB 3.75Å; F290-R413 WeakPolarHBondContact CE1-O 3.41Å; F290-R413 HydrophobicContact CG-CB 4.5Å; F290-R413 HydrophobicContact CZ-CB 4.19Å; E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 WeakPolarHBondContact O-CD 3.18Å; E409-R413 WeakPolarHBondContact O-CG 3.5Å; E409-R413 PolarHBondContact O-N 3.36Å; E409-R413 IonicContact OE1-CZ 3.74Å; E409-R413 IonicContact OE1-NE 2.87Å; E409-R413 IonicContact OE1-NH2 2.72Å; E409-R413 PolarHBondContact OE1-NH2 3.2Å; L410-R413 CarbonylContact O-C 3.47Å; F411-R413 PolarHBondContact O-N 3.4Å; R413-F415 VanDerWaalsContact C-N 3.33Å; R413-F415 PolarHBondContact O-N 2.87Å
414	K	39.1	Very low	32.1	Very low	38 Å²	38	71.6 Å²	71.6	17%	0.165	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	48.3	175.8	-66.5	-177.9	-176.8	174.7	0	114.4	F219 P295 V296 L410 F411 W416	F219-K414 HydrophobicContact CD1-CD 4.37Å; F219-K414 VanDerWaalsContact CD1-CE 3.5Å; P295-K414 HydrophobicContact CG-CD 3.57Å; P295-K414 PolarHBondContact O-NZ 3.43Å; V296-K414 PolarHBondContact O-NZ 3.32Å; L410-K414 PolarHBondContact O-N 3.1Å; F411-K414 WeakPolarHBondContact O-CG 3.5Å; F411-K414 PolarHBondContact O-N 3.38Å; K414-W416 PolarHBondContact O-N 3.21Å; K414-W416 VanDerWaalsContact O-N 3.1Å
415	F	32.2	Very low	31.6	Very low	24 Å²	24	73.4 Å²	73.4	11%	0.105	42%	0.42	C	S	.	.			trans	-59	-16.9	164	-137.2	-89.4	0	0	0	112.4	F282 F290 F370 W371 L410 R413 P417	F282-F415 HydrophobicContact CD1-CE2 4.27Å; F282-F415 HydrophobicContact CD1-CZ 4.19Å; F282-F415 HydrophobicContact CE1-CE2 4.48Å; F282-F415 HydrophobicContact CE1-CZ 4.12Å; F290-F415 AromaticContact CE1-CD2 3.72Å; F290-F415 HydrophobicContact CE1-CD2 3.72Å; F290-F415 HydrophobicContact CE1-CE2 4.26Å; F290-F415 AromaticContact CZ-CD2 3.49Å; F290-F415 HydrophobicContact CZ-CD2 3.49Å; F290-F415 VanDerWaalsContact CZ-CD2 3.49Å; F290-F415 AromaticContact CZ-CE2 3.72Å; F290-F415 HydrophobicContact CZ-CE2 3.72Å; F370-F415 HydrophobicContact CD1-CD1 4.17Å; F370-F415 AromaticContact CD1-CE1 3.37Å; F370-F415 HydrophobicContact CD1-CE1 3.37Å; F370-F415 HydrophobicContact CD1-CE2 4.25Å; F370-F415 AromaticContact CD1-CZ 3.42Å; F370-F415 HydrophobicContact CD1-CZ 3.42Å; F370-F415 VanDerWaalsContact CD1-CZ 3.42Å; F370-F415 AromaticContact CE1-CD1 3.51Å; F370-F415 HydrophobicContact CE1-CD1 3.51Å; F370-F415 HydrophobicContact CE1-CD2 4.09Å; F370-F415 AromaticContact CE1-CE1 3.16Å; F370-F415 HydrophobicContact CE1-CE1 3.16Å; F370-F415 AromaticContact CE1-CE2 3.81Å; F370-F415 HydrophobicContact CE1-CE2 3.81Å; F370-F415 AromaticContact CE1-CG 3.96Å; F370-F415 HydrophobicContact CE1-CG 3.96Å; F370-F415 AromaticContact CE1-CZ 3.33Å; F370-F415 HydrophobicContact CE1-CZ 3.33Å; F370-F415 HydrophobicContact CZ-CE1 4.39Å; F370-F415 HydrophobicContact CZ-CE2 4.5Å; F370-F415 HydrophobicContact CZ-CZ 4.38Å; W371-F415 HydrophobicContact CD2-CE1 4.26Å; W371-F415 AromaticContact CE2-CE1 3.54Å; W371-F415 AromaticContact CH2-CD1 3.51Å; W371-F415 HydrophobicContact CH2-CD1 3.51Å; W371-F415 AromaticContact CH2-CE1 3.77Å; W371-F415 HydrophobicContact CH2-CE1 3.77Å; W371-F415 AromaticContact CZ2-CD1 3.5Å; W371-F415 HydrophobicContact CZ2-CD1 3.5Å; W371-F415 AromaticContact CZ2-CE1 3.28Å; W371-F415 HydrophobicContact CZ2-CE1 3.28Å; W371-F415 HydrophobicContact CZ2-CZ 4.47Å; W371-F415 HydrophobicContact CZ3-CD1 4.2Å; W371-F415 HydrophobicContact CZ3-CE1 4.42Å; W371-F415 AromaticContact NE1-CE1 3.95Å; L410-F415 PolarHBondContact O-N 3.12Å; R413-F415 VanDerWaalsContact C-N 3.33Å; R413-F415 PolarHBondContact O-N 2.87Å; F415-P417 VanDerWaalsContact O-CD 3.22Å; F415-P417 WeakPolarHBondContact O-CD 3.5Å
416	W	35.8	Very low	31.1	Very low	29 Å²	29	75.4 Å²	75.4	11%	0.11	44%	0.437	C	S	.	.	S	Bend	trans	-90.1	108.1	176.2	-61.2	-50.4	0	0	0	111.2	V383 W387 L410 F411 K414 K418	V383-W416 HydrophobicContact CG1-CB 4.36Å; V383-W416 VanDerWaalsContact CG1-CD1 3.49Å; V383-W416 HydrophobicContact CG1-CD2 4.33Å; V383-W416 HydrophobicContact CG1-CG 3.8Å; V383-W416 HydrophobicContact CG2-CB 4.48Å; V383-W416 HydrophobicContact CG2-CG 4.39Å; W387-W416 HydrophobicContact CE3-CH2 4.19Å; W387-W416 HydrophobicContact CE3-CZ2 4.35Å; W387-W416 HydrophobicContact CZ3-CH2 4.08Å; L410-W416 HydrophobicContact CB-CH2 3.98Å; L410-W416 HydrophobicContact CB-CZ2 4.42Å; L410-W416 HydrophobicContact CB-CZ3 4.27Å; F411-W416 HydrophobicContact CB-CE3 4.02Å; F411-W416 HydrophobicContact CB-CH2 4.44Å; F411-W416 HydrophobicContact CB-CZ3 3.41Å; F411-W416 VanDerWaalsContact CB-CZ3 3.41Å; F411-W416 AromaticContact CD1-CE3 3.87Å; F411-W416 HydrophobicContact CD1-CE3 3.87Å; F411-W416 AromaticContact CD1-CZ3 3.99Å; F411-W416 HydrophobicContact CD1-CZ3 3.99Å; F411-W416 AromaticContact CD2-CE3 3.5Å; F411-W416 HydrophobicContact CD2-CE3 3.5Å; F411-W416 VanDerWaalsContact CD2-CE3 3.5Å; F411-W416 AromaticContact CD2-CH2 3.65Å; F411-W416 HydrophobicContact CD2-CH2 3.65Å; F411-W416 AromaticContact CD2-CZ3 2.89Å; F411-W416 HydrophobicContact CD2-CZ3 2.89Å; F411-W416 HydrophobicContact CE1-CE3 4.12Å; F411-W416 HydrophobicContact CE1-CZ3 4.47Å; F411-W416 AromaticContact CE2-CE3 3.71Å; F411-W416 HydrophobicContact CE2-CE3 3.71Å; F411-W416 HydrophobicContact CE2-CH2 4.12Å; F411-W416 AromaticContact CE2-CZ3 3.47Å; F411-W416 HydrophobicContact CE2-CZ3 3.47Å; F411-W416 VanDerWaalsContact CE2-CZ3 3.47Å; F411-W416 AromaticContact CG-CE3 3.53Å; F411-W416 HydrophobicContact CG-CE3 3.53Å; F411-W416 HydrophobicContact CG-CH2 4.25Å; F411-W416 AromaticContact CG-CZ3 3.16Å; F411-W416 HydrophobicContact CG-CZ3 3.16Å; F411-W416 HydrophobicContact CZ-CE3 4.02Å; F411-W416 HydrophobicContact CZ-CZ3 4.24Å; F411-W416 VanDerWaalsContact N-CZ3 3.26Å; K414-W416 PolarHBondContact O-N 3.21Å; K414-W416 VanDerWaalsContact O-N 3.1Å; W416-K418 PolarHBondContact O-N 2.59Å
417	P	31.3	Very low	30.5	Very low	84 Å²	84	79.3 Å²	79.3	55%	0.545	46%	0.458	S	S	.	.			trans	-57.1	138	159.2	24.3	-30	0	0	0	107.7	F415 A419	F415-P417 VanDerWaalsContact O-CD 3.22Å; F415-P417 WeakPolarHBondContact O-CD 3.5Å; P417-A419 PolarHBondContact O-N 3.37Å
418	K	28.3	Very low	29.8	Very low	127 Å²	127	85.2 Å²	85.2	55%	0.552	50%	0.497	S	S	*	.	S	Bend	trans	-29.2	133.3	179.2	-78	-177.9	171.3	-172.9	0	111.7	W416 L420	W416-K418 PolarHBondContact O-N 2.59Å; K418-L420 PolarHBondContact O-N 3.27Å
419	A	26.2	Very low	29.1	Very low	93 Å²	93	86.1 Å²	86.1	77%	0.769	51%	0.509	S	S	*	.			trans	-12.5	104.5	156.7	0	0	0	0	0	110.2	P417 P421	P417-A419 PolarHBondContact O-N 3.37Å; A419-P421 VanDerWaalsContact O-N 3.12Å
420	L	22.4	Very low	28.5	Very low	131 Å²	131	89.3 Å²	89.3	69%	0.686	53%	0.531	S	S	*	.			trans	-46.5	126.1	169.3	-84.2	157.3	0	0	0	106	K418 S422	K418-L420 PolarHBondContact O-N 3.27Å; L420-S422 PolarHBondContact O-N 3.39Å
421	P	24.4	Very low	27.9	Very low	98 Å²	98	94 Å²	94	64%	0.636	56%	0.56	S	S	*	*			trans	-54.4	123.6	-175.1	20.5	-30.7	0	0	0	107.4	A419 Q423	A419-P421 VanDerWaalsContact O-N 3.12Å; P421-Q423 PolarHBondContact O-N 3.23Å
422	S	23.6	Very low	27.5	Very low	122 Å²	122	93.8 Å²	93.8	85%	0.853	56%	0.563	S	S	*	*			trans	-55	82.4	-177.9	59.9	0	0	0	0	110.4	L420 S424	L420-S422 PolarHBondContact O-N 3.39Å; S422-S424 VanDerWaalsContact C-N 3.31Å; S422-S424 PolarHBondContact O-N 3.18Å
423	Q	22.6	Very low	27.1	Very low	170 Å²	170	96.6 Å²	96.6	79%	0.794	58%	0.575	S	S	*	*			trans	-89.8	82.9	170	-73	-166.6	2.7	0	0	106.9	P421	P421-Q423 PolarHBondContact O-N 3.23Å
424	S	22.9	Very low	26.7	Very low	103 Å²	103	98.8 Å²	98.8	72%	0.72	59%	0.59	S	S	*	*	S	Bend	trans	67.1	124.5	159.1	69.5	0	0	0	0	118.4	S422	S422-S424 VanDerWaalsContact C-N 3.31Å; S422-S424 PolarHBondContact O-N 3.18Å
425	V	25.2	Very low	26.1	Very low	131 Å²	131	100.8 Å²	100.8	79%	0.794	61%	0.605	S	S	*	*	S	Bend	trans	84	124.9	160	-161.1	0	0	0	0	115.6
426	S	24.1	Very low	25.8	Very low	101 Å²	101	107 Å²	107	71%	0.706	63%	0.633	S	S	*	*			trans	61.7	106	170.5	44.2	0	0	0	0	117.3
427	D	25.6	Very low	25.3	Very low	132 Å²	132	107.7 Å²	107.7	71%	0.706	65%	0.645	S	S	*	*			trans	-114	82.6	159.4	-165.3	0.9	0	0	0	107.7
428	P	24.6	Very low	25.1	Very low	126 Å²	126	107.5 Å²	107.5	82%	0.818	64%	0.642	S	S	*	*			trans	-94.6	7.1	-176.4	1.1	20.8	0	0	0	113.6
429	G	21.4	Very low	25	Very low	53 Å²	53	107.5 Å²	107.5	55%	0.546	65%	0.648	S	S	.	*			trans	-115.5	-1.5	-166.9	0	0	0	0	0	116.6	V431	G429-V431 PolarHBondContact O-N 2.95Å
430	V	24.1	Very low	25	Very low	107 Å²	107	107.9 Å²	107.9	65%	0.648	64%	0.637	S	S	*	*			trans	-69.1	98.4	177.2	-175.8	0	0	0	0	108.6	D432	V430-D432 VanDerWaalsContact C-N 3.33Å; V430-D432 PolarHBondContact O-N 3.39Å
431	V	26.4	Very low	25	Very low	108 Å²	108	105.6 Å²	105.6	66%	0.655	63%	0.632	S	S	*	*			trans	-64	98.5	166.4	178.2	0	0	0	0	106.8	G429 L433	G429-V431 PolarHBondContact O-N 2.95Å; V431-L433 VanDerWaalsContact C-N 3.33Å; V431-L433 PolarHBondContact O-N 3.4Å
432	D	27.1	Very low	24.9	Very low	86 Å²	86	104 Å²	104	46%	0.46	63%	0.627	S	S	.	*			trans	-69.7	92.3	175	-172.1	0.9	0	0	0	109.1	V430 N434 T435	V430-D432 VanDerWaalsContact C-N 3.33Å; V430-D432 PolarHBondContact O-N 3.39Å; D432-N434 PolarHBondContact O-N 3.21Å; D432-N434 VanDerWaalsContact O-N 3.1Å; D432-N434 WeakPolarHBondContact OD1-CB 3.48Å; D432-N434 PolarHBondContact OD1-N 3.19Å; D432-N434 PolarHBondContact OD1-ND2 2.76Å; D432-T435 PolarHBondContact O-N 3.49Å; D432-T435 PolarHBondContact O-OG1 3.26Å; D432-T435 VanDerWaalsContact O-OG1 3.06Å
433	L	27.4	Very low	24.8	Very low	123 Å²	123	104 Å²	104	64%	0.644	62%	0.622	S	S	*	*	H	α-helix	trans	-56.8	-19.5	176.1	-76.9	163.7	0	0	0	112.3	V431 T435 F436 A437	V431-L433 VanDerWaalsContact C-N 3.33Å; V431-L433 PolarHBondContact O-N 3.4Å; L433-T435 VanDerWaalsContact C-N 3.29Å; L433-T435 PolarHBondContact O-N 2.48Å; L433-F436 PolarHBondContact O-N 3.32Å; L433-A437 PolarHBondContact O-N 3.02Å
434	N	26.3	Very low	24.8	Very low	89 Å²	89	101.9 Å²	101.9	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-61.8	-39.9	172.6	-68.7	-43.3	0	0	0	111.2	D432 F436 A437 T438	D432-N434 PolarHBondContact O-N 3.21Å; D432-N434 VanDerWaalsContact O-N 3.1Å; D432-N434 WeakPolarHBondContact OD1-CB 3.48Å; D432-N434 PolarHBondContact OD1-N 3.19Å; D432-N434 PolarHBondContact OD1-ND2 2.76Å; N434-F436 VanDerWaalsContact C-N 3.26Å; N434-F436 PolarHBondContact O-N 2.78Å; N434-A437 PolarHBondContact O-N 3.05Å; N434-T438 WeakPolarHBondContact O-CG2 3.4Å; N434-T438 PolarHBondContact O-N 2.78Å; N434-T438 PolarHBondContact O-OG1 2.81Å
435	T	27	Very low	24.7	Very low	79 Å²	79	106.1 Å²	106.1	49%	0.485	62%	0.62	S	S	.	*	H	α-helix	trans	-64.9	-33.7	179.3	-24.6	0	0	0	0	111.9	D432 L433 T438 N439	D432-T435 PolarHBondContact O-N 3.49Å; D432-T435 PolarHBondContact O-OG1 3.26Å; D432-T435 VanDerWaalsContact O-OG1 3.06Å; L433-T435 VanDerWaalsContact C-N 3.29Å; L433-T435 PolarHBondContact O-N 2.48Å; T435-T438 WeakPolarHBondContact CA-OG1 3.38Å; T435-T438 PolarHBondContact O-OG1 3.29Å; T435-N439 PolarHBondContact O-N 2.95Å
436	F	26.2	Very low	24.6	Very low	155 Å²	155	107.1 Å²	107.1	68%	0.68	62%	0.622	S	S	*	*	H	α-helix	trans	-73.4	-38.1	177.8	-143.9	-86.1	0	0	0	111.4	L433 N434	L433-F436 PolarHBondContact O-N 3.32Å; N434-F436 VanDerWaalsContact C-N 3.26Å; N434-F436 PolarHBondContact O-N 2.78Å
437	A	25.4	Very low	24.6	Very low	44 Å²	44	108.2 Å²	108.2	36%	0.364	62%	0.62	S	S	.	*	H	α-helix	trans	-70.6	-39.5	175.4	0	0	0	0	0	112.5	L433 N434 N439 D440 S441	L433-A437 PolarHBondContact O-N 3.02Å; N434-A437 PolarHBondContact O-N 3.05Å; A437-N439 VanDerWaalsContact C-N 3.33Å; A437-N439 PolarHBondContact O-N 3.4Å; A437-D440 PolarHBondContact O-N 2.78Å; A437-S441 PolarHBondContact O-N 2.92Å; A437-S441 VanDerWaalsContact O-N 3.14Å; A437-S441 PolarHBondContact O-OG 3.48Å
438	T	26.3	Very low	24.6	Very low	79 Å²	79	108.2 Å²	108.2	49%	0.485	62%	0.624	S	S	.	*	H	α-helix	trans	-68.5	-28.3	-176.7	46.2	0	0	0	0	113.8	N434 T435 S441	N434-T438 WeakPolarHBondContact O-CG2 3.4Å; N434-T438 PolarHBondContact O-N 2.78Å; N434-T438 PolarHBondContact O-OG1 2.81Å; T435-T438 WeakPolarHBondContact CA-OG1 3.38Å; T435-T438 PolarHBondContact O-OG1 3.29Å; T438-S441 PolarHBondContact O-OG 2.97Å
439	N	25.3	Very low	24.5	Very low	127 Å²	127	107 Å²	107	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-77.9	-26.9	179.7	-83	-11.9	0	0	0	113.5	T435 A437	T435-N439 PolarHBondContact O-N 2.95Å; A437-N439 VanDerWaalsContact C-N 3.33Å; A437-N439 PolarHBondContact O-N 3.4Å
440	D	25.9	Very low	24.7	Very low	101 Å²	101	109.8 Å²	109.8	54%	0.54	63%	0.625	S	S	.	*	H	α-helix	trans	-93.3	-19.8	176.4	-87	1.7	0	0	0	112.6	R70 A437 A442	R70-D440 IonicContact CZ-OD2 3.71Å; R70-D440 IonicContact NH1-OD2 3.54Å; R70-D440 PolarHBondContact NH1-OD2 3.12Å; R70-D440 IonicContact NH2-OD2 3.43Å; R70-D440 PolarHBondContact NH2-OD2 3.15Å; A437-D440 PolarHBondContact O-N 2.78Å; D440-A442 VanDerWaalsContact C-N 3.32Å
441	S	23.9	Very low	24.8	Very low	84 Å²	84	108.8 Å²	108.8	59%	0.587	62%	0.621	S	S	*	*	S	Bend	trans	-79.4	-10.8	175	60.4	0	0	0	0	114.3	A437 T438 T443	A437-S441 PolarHBondContact O-N 2.92Å; A437-S441 VanDerWaalsContact O-N 3.14Å; A437-S441 PolarHBondContact O-OG 3.48Å; T438-S441 PolarHBondContact O-OG 2.97Å; S441-T443 PolarHBondContact O-N 3.24Å
442	A	22.1	Very low	25	Very low	63 Å²	63	108.3 Å²	108.3	52%	0.521	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	84.7	178.5	0	0	0	0	0	110.3	D440	D440-A442 VanDerWaalsContact C-N 3.32Å
443	T	21.2	Very low	25.2	Very low	122 Å²	122	111.1 Å²	111.1	75%	0.748	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.4	30.6	156.6	56.1	0	0	0	0	116.9	S441 R445	S441-T443 PolarHBondContact O-N 3.24Å; T443-R445 PolarHBondContact O-N 2.81Å
444	V	22.1	Very low	25.6	Very low	126 Å²	126	107.7 Å²	107.7	76%	0.764	63%	0.633	S	S	*	*			trans	-76.1	85.5	150.8	-173.9	0	0	0	0	107	D446	V444-D446 PolarHBondContact O-N 3.44Å
445	R	21	Very low	26.2	Very low	192 Å²	192	110.4 Å²	110.4	73%	0.725	65%	0.647	S	S	*	*			trans	-69.3	119.4	168.7	-75.6	-175.7	175.3	177.9	-1.2	107.8	T443 D447	T443-R445 PolarHBondContact O-N 2.81Å; R445-D447 PolarHBondContact O-N 3.42Å
446	D	23.5	Very low	27.5	Very low	153 Å²	153	110.1 Å²	110.1	82%	0.818	64%	0.643	S	S	*	*			trans	-66.6	38.1	169.4	-77.9	-37.6	0	0	0	113	V444 V448	V444-D446 PolarHBondContact O-N 3.44Å; D446-V448 PolarHBondContact O-N 3.09Å
447	D	23.4	Very low	29.4	Very low	124 Å²	124	106.5 Å²	106.5	66%	0.663	63%	0.633	S	S	*	*			trans	-83.6	23	177	-76	-26.3	0	0	0	112.2	R445 S449	R445-D447 PolarHBondContact O-N 3.42Å; D447-S449 PolarHBondContact O-N 2.91Å
448	V	25.1	Very low	31.8	Very low	131 Å²	131	108.5 Å²	108.5	79%	0.794	64%	0.635	S	S	*	*			trans	-75.1	78.4	162	-172.6	0	0	0	0	107.1	D446 T450	D446-V448 PolarHBondContact O-N 3.09Å; V448-T450 PolarHBondContact O-N 3.23Å
449	S	23.8	Very low	34.2	Very low	102 Å²	102	105.2 Å²	105.2	71%	0.713	61%	0.614	S	S	*	*			trans	-39.6	112.2	164.4	45.2	0	0	0	0	109.6	D447	D447-S449 PolarHBondContact O-N 2.91Å
450	T	25.9	Very low	37	Very low	111 Å²	111	101.6 Å²	101.6	68%	0.681	60%	0.597	S	S	*	*			trans	-48.4	130.9	171.3	18.8	0	0	0	0	108.4	V448 A452	V448-T450 PolarHBondContact O-N 3.23Å; T450-A452 PolarHBondContact O-N 3.44Å
451	P	25.7	Very low	39.6	Very low	86 Å²	86	97.3 Å²	97.3	56%	0.558	57%	0.574	S	S	*	*			trans	-57.4	117.3	-178.2	21.4	-30.2	0	0	0	108.7	N453	P451-N453 PolarHBondContact O-N 3.35Å
452	A	30.9	Very low	42.1	Very low	98 Å²	98	98 Å²	98	81%	0.81	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-1.1	-169.2	0	0	0	0	0	115.2	T450	T450-A452 PolarHBondContact O-N 3.44Å
453	N	31.1	Very low	44.3	Very low	144 Å²	144	101.8 Å²	101.8	77%	0.77	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	16.9	-168.3	-75.4	-16.2	0	0	0	115.2	P451 N455	P451-N453 PolarHBondContact O-N 3.35Å; N453-N455 PolarHBondContact O-N 3.23Å; N453-N455 VanDerWaalsContact O-N 3.13Å
454	A	35.3	Very low	46.4	Very low	52 Å²	52	96.7 Å²	96.7	43%	0.43	54%	0.536	S	S	.	.	S	Bend	trans	-67.3	111.7	156.2	0	0	0	0	0	105.9	L456	A454-L456 PolarHBondContact O-N 3.02Å
455	N	38.3	Very low	48.3	Very low	146 Å²	146	96.9 Å²	96.9	78%	0.781	53%	0.529	S	S	*	.			trans	-65.5	69.5	-179.7	-85.6	-25.6	0	0	0	110.1	N453 T457	N453-N455 PolarHBondContact O-N 3.23Å; N453-N455 VanDerWaalsContact O-N 3.13Å; N455-T457 PolarHBondContact O-N 3.17Å; N455-T457 VanDerWaalsContact O-N 3.15Å
456	L	55.9	Low	50.3	Low	73 Å²	73	92.4 Å²	92.4	38%	0.382	52%	0.518	S	S	.	.			trans	-67.2	114.9	171.7	-67.7	172.5	0	0	0	106.6	A454 E458 L592 K594	A454-L456 PolarHBondContact O-N 3.02Å; L456-E458 PolarHBondContact O-N 3.05Å; L456-L592 HydrophobicContact CB-CD2 3.98Å; L456-K594 HydrophobicContact CD1-CD 4.45Å
457	T	64.5	Low	51.9	Low	79 Å²	79	92.5 Å²	92.5	49%	0.485	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-66.8	118.2	175	-58.7	0	0	0	0	107.8	N455 H459 P507	N455-T457 PolarHBondContact O-N 3.17Å; N455-T457 VanDerWaalsContact O-N 3.15Å; T457-H459 PolarHBondContact O-CD2 3.2Å; T457-P507 HydrophobicContact CG2-CG 3.45Å; T457-P507 VanDerWaalsContact CG2-CG 3.45Å
458	E	75.7	Confident	53.7	Low	86 Å²	86	88.7 Å²	88.7	40%	0.402	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119	175.1	-172.4	167.5	-147.4	0	0	109	L456 R520 S590 L592	L456-E458 PolarHBondContact O-N 3.05Å; E458-R520 IonicContact OE1-NH1 3.83Å; E458-S590 WeakPolarHBondContact OE1-CB 3.5Å; E458-S590 PolarHBondContact OE1-OG 3.06Å; E458-L592 HydrophobicContact CB-CD2 3.85Å; E458-L592 HydrophobicContact CG-CD2 4.14Å
459	H	78.2	Confident	55.5	Low	10 Å²	10	88.3 Å²	88.3	5%	0.046	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.7	178.1	-62.6	-99.9	0	0	0	109	T457 W505 P507 L509 S590 M591 I593	T457-H459 PolarHBondContact O-CD2 3.2Å; H459-W505 HydrophobicContact CB-CE3 4.12Å; H459-P507 PolarHBondContact ND1-O 3.35Å; H459-L509 HydrophobicContact CB-CD2 4.01Å; H459-S590 CarbonylContact O-C 3.5Å; H459-S590 VanDerWaalsContact O-CA 3.26Å; H459-S590 WeakPolarHBondContact O-CA 3.42Å; H459-M591 HydrophobicContact CB-CG 3.73Å; H459-M591 PolarHBondContact N-O 3.23Å; H459-M591 PolarHBondContact O-N 3.41Å; H459-I593 WeakPolarHBondContact NE2-CD1 3.23Å
460	V	83.6	Confident	57.7	Low	51 Å²	51	89.8 Å²	89.8	31%	0.309	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.8	-177.6	-175	0	0	0	0	109.3	K462 W505 H506 A588	V460-K462 PolarHBondContact O-N 3.35Å; V460-K462 VanDerWaalsContact O-N 3.16Å; V460-W505 CarbonylContact O-C 3.52Å; V460-W505 WeakPolarHBondContact O-CA 3.2Å; V460-H506 PolarHBondContact N-O 3.32Å; V460-H506 PolarHBondContact O-N 2.74Å; V460-A588 HydrophobicContact CG1-CB 3.92Å
461	V	80.8	Confident	60	Low	11 Å²	11	86 Å²	86	7%	0.067	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	120.9	174.1	178.2	0	0	0	0	109.6	R463 L474 L490 T503 F504 W505 I589	V461-R463 PolarHBondContact O-N 2.98Å; V461-L474 HydrophobicContact CB-CD1 4.16Å; V461-L474 HydrophobicContact CG1-CD1 4.1Å; V461-L474 HydrophobicContact CG1-CD2 4.15Å; V461-L474 HydrophobicContact CG2-CD1 4.2Å; V461-L490 HydrophobicContact CG2-CD2 4.36Å; V461-T503 HydrophobicContact CG1-CG2 4.36Å; V461-F504 CarbonylContact C-O 3.5Å; V461-F504 WeakPolarHBondContact CA-O 3.47Å; V461-W505 HydrophobicContact CG2-CD2 4.24Å; V461-W505 HydrophobicContact CG2-CE3 3.89Å; V461-W505 HydrophobicContact CG2-CH2 3.37Å; V461-W505 HydrophobicContact CG2-CZ2 3.74Å; V461-W505 HydrophobicContact CG2-CZ3 3.46Å; V461-W505 VanDerWaalsContact CG2-CZ3 3.46Å; V461-I589 HydrophobicContact CG2-CB 4.03Å; V461-I589 HydrophobicContact CG2-CG2 4.45Å; V461-I589 PolarHBondContact N-O 3.44Å; V461-I589 VanDerWaalsContact N-O 3.1Å
462	K	76	Confident	62.5	Low	98 Å²	98	82.8 Å²	82.8	43%	0.426	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.3	171.7	-170.7	-176.9	176.9	-168.4	0	107.7	V460 E465 F504	V460-K462 PolarHBondContact O-N 3.35Å; V460-K462 VanDerWaalsContact O-N 3.16Å; K462-E465 WeakPolarHBondContact CE-OE1 3.4Å; K462-E465 IonicContact NZ-OE1 3.38Å; K462-E465 PolarHBondContact NZ-OE1 3.07Å; K462-F504 HydrophobicContact CB-CB 4.16Å; K462-F504 PolarHBondContact N-O 3.2Å
463	R	68.4	Low	65	Low	142 Å²	142	78.5 Å²	78.5	54%	0.536	40%	0.395	S	S	.	.			trans	-56.8	135.9	171.5	-73	-173.1	178.3	-179	-3.3	109.3	V461 A586	V461-R463 PolarHBondContact O-N 2.98Å; R463-A586 PolarHBondContact NH2-O 3.25Å; R463-A586 VanDerWaalsContact NH2-O 3.08Å
464	P	65.9	Low	67.6	Low	16 Å²	16	72.2 Å²	72.2	10%	0.104	36%	0.361	C	S	.	.			trans	-58.4	142.8	179.6	22.2	-29.3	0	0	0	109.5	I466 W472 L492	P464-I466 HydrophobicContact CB-CB 4.48Å; P464-I466 HydrophobicContact CB-CG1 4.49Å; P464-I466 PolarHBondContact O-N 3.26Å; P464-W472 HydrophobicContact CG-CB 3.97Å; P464-W472 HydrophobicContact CG-CD2 3.66Å; P464-W472 HydrophobicContact CG-CE3 4.35Å; P464-W472 HydrophobicContact CG-CG 3.47Å; P464-W472 VanDerWaalsContact CG-CG 3.47Å; P464-L492 HydrophobicContact CG-CD1 3.95Å
465	E	61.8	Low	70.1	Confident	129 Å²	129	69.8 Å²	69.8	60%	0.603	34%	0.341	S	S	*	.	S	Bend	trans	-73.4	-3.8	177.3	-70.7	178.4	-164.1	0	0	112.3	K462 E467	K462-E465 WeakPolarHBondContact CE-OE1 3.4Å; K462-E465 IonicContact NZ-OE1 3.38Å; K462-E465 PolarHBondContact NZ-OE1 3.07Å; E465-E467 PolarHBondContact O-N 3.1Å
466	I	61.9	Low	72.6	Confident	98 Å²	98	63 Å²	63	50%	0.503	31%	0.305	S	S	.	.	S	Bend	trans	-72.3	116.9	178.2	-54.6	171.1	0	0	0	109.1	P464 W472	P464-I466 HydrophobicContact CB-CB 4.48Å; P464-I466 HydrophobicContact CB-CG1 4.49Å; P464-I466 PolarHBondContact O-N 3.26Å; I466-W472 HydrophobicContact CB-CZ2 4.13Å; I466-W472 HydrophobicContact CD1-CZ2 4.13Å; I466-W472 HydrophobicContact CG2-CZ2 3.99Å; I466-W472 PolarHBondContact O-NE1 3.35Å
467	E	57.1	Low	74.1	Confident	155 Å²	155	60 Å²	60	72%	0.724	29%	0.29	S	S	*	.	S	Bend	trans	-76.1	148.5	172.7	-70.9	-136.4	163.9	0	0	111.9	E465	E465-E467 PolarHBondContact O-N 3.1Å
468	P	61.7	Low	75.2	Confident	44 Å²	44	59.9 Å²	59.9	29%	0.286	28%	0.283	S	S	.	.	P	Polyproline II helix	cis	-86.2	129.6	-1.2	35.1	-35.7	0	0	0	111.6	D470 Q471	P468-D470 WeakPolarHBondContact CB-OD1 3.26Å; P468-D470 PolarHBondContact O-N 3.01Å; P468-Q471 HydrophobicContact CG-CB 4.31Å; P468-Q471 HydrophobicContact CG-CG 3.71Å; P468-Q471 VanDerWaalsContact CG-NE2 3.31Å; P468-Q471 PolarHBondContact O-N 3.06Å
469	R	62.9	Low	75.6	Confident	124 Å²	124	57.8 Å²	57.8	47%	0.468	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.7	-167.7	-66.7	-176.5	179.1	179.1	-2.1	114.2
470	D	69.2	Low	75.7	Confident	132 Å²	132	60.4 Å²	60.4	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.3	-178.2	52.4	-41.3	0	0	0	113.7	P468	P468-D470 WeakPolarHBondContact CB-OD1 3.26Å; P468-D470 PolarHBondContact O-N 3.01Å
471	Q	75	Confident	75.3	Confident	31 Å²	31	65 Å²	65	15%	0.145	31%	0.313	C	S	.	.	S	Bend	trans	-88.9	-11.6	177.7	-69.1	179.4	-7.3	0	0	114.2	P468 N494 Q495 E496	P468-Q471 HydrophobicContact CG-CB 4.31Å; P468-Q471 HydrophobicContact CG-CG 3.71Å; P468-Q471 VanDerWaalsContact CG-NE2 3.31Å; P468-Q471 PolarHBondContact O-N 3.06Å; Q471-N494 PolarHBondContact OE1-ND2 2.77Å; Q471-N494 PolarHBondContact OE1-OD1 3.25Å; Q471-Q495 PolarHBondContact O-N 3.44Å; Q471-E496 PolarHBondContact NE2-OE1 3.29Å; Q471-E496 PolarHBondContact NE2-OE2 3.3Å
472	W	78.8	Confident	74.9	Confident	19 Å²	19	75.5 Å²	75.5	7%	0.072	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.3	-178.8	-66.9	95.2	0	0	0	110.9	P464 I466 L492 F493 N494 D499 A501	P464-W472 HydrophobicContact CG-CB 3.97Å; P464-W472 HydrophobicContact CG-CD2 3.66Å; P464-W472 HydrophobicContact CG-CE3 4.35Å; P464-W472 HydrophobicContact CG-CG 3.47Å; P464-W472 VanDerWaalsContact CG-CG 3.47Å; I466-W472 HydrophobicContact CB-CZ2 4.13Å; I466-W472 HydrophobicContact CD1-CZ2 4.13Å; I466-W472 HydrophobicContact CG2-CZ2 3.99Å; I466-W472 PolarHBondContact O-NE1 3.35Å; W472-L492 HydrophobicContact CB-CD2 4.3Å; W472-L492 HydrophobicContact CE3-CB 3.85Å; W472-L492 HydrophobicContact CZ3-CB 4.33Å; W472-F493 WeakPolarHBondContact CA-O 3.46Å; W472-N494 HydrophobicContact CD2-CB 4.11Å; W472-N494 HydrophobicContact CE3-CB 3.88Å; W472-N494 HydrophobicContact CH2-CB 3.9Å; W472-N494 HydrophobicContact CZ2-CB 4.09Å; W472-N494 HydrophobicContact CZ3-CB 3.78Å; W472-D499 HydrophobicContact CH2-CB 4.09Å; W472-A501 HydrophobicContact CE3-CB 4.28Å; W472-A501 HydrophobicContact CH2-CB 3.76Å; W472-A501 HydrophobicContact CZ3-CB 3.51Å
473	V	83.2	Confident	74.6	Confident	9 Å²	9	72.5 Å²	72.5	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.7	176.8	-62.8	0	0	0	0	110.8	L492 F493 Q495	V473-L492 WeakPolarHBondContact O-CA 3.48Å; V473-F493 HydrophobicContact CG2-CB 4.37Å; V473-F493 HydrophobicContact CG2-CD1 4.21Å; V473-F493 PolarHBondContact N-O 3.18Å; V473-F493 PolarHBondContact O-N 3.19Å; V473-Q495 HydrophobicContact CG1-CG 4.28Å; V473-Q495 HydrophobicContact CG2-CG 3.81Å
474	L	85.7	Confident	74.7	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136	178	-75.1	153.4	0	0	0	110.2	V461 L490 L492 T503 S584 C585 I589	V461-L474 HydrophobicContact CB-CD1 4.16Å; V461-L474 HydrophobicContact CG1-CD1 4.1Å; V461-L474 HydrophobicContact CG1-CD2 4.15Å; V461-L474 HydrophobicContact CG2-CD1 4.2Å; L474-L490 HydrophobicContact CD2-CD1 4.47Å; L474-L490 HydrophobicContact CD2-CD2 4.21Å; L474-L490 HydrophobicContact CD2-CG 4.08Å; L474-L492 HydrophobicContact CD2-CD2 3.59Å; L474-L492 HydrophobicContact CD2-CG 3.87Å; L474-L492 HydrophobicContact CG-CD2 3.72Å; L474-T503 HydrophobicContact CD2-CG2 3.57Å; L474-S584 VanDerWaalsContact O-CA 3.24Å; L474-S584 WeakPolarHBondContact O-CA 3.48Å; L474-C585 PolarHBondContact N-O 3.04Å; L474-C585 PolarHBondContact O-N 3.03Å; L474-I589 HydrophobicContact CB-CD1 3.56Å; L474-I589 HydrophobicContact CD1-CB 4.13Å; L474-I589 HydrophobicContact CD1-CD1 3.38Å; L474-I589 HydrophobicContact CD1-CG1 3.6Å; L474-I589 HydrophobicContact CD2-CD1 4.29Å; L474-I589 HydrophobicContact CG-CD1 3.88Å
475	F	88	Confident	75.4	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166.4	177.6	81.7	-68.4	0	0	0	111	A477 A491 F493 I500 P579 A582	F475-A477 HydrophobicContact CE2-CB 3.95Å; F475-A477 HydrophobicContact CZ-CB 3.91Å; F475-A491 HydrophobicContact CD1-CB 4.33Å; F475-A491 WeakPolarHBondContact CD1-O 3.4Å; F475-A491 HydrophobicContact CE1-CB 3.66Å; F475-A491 HydrophobicContact CZ-CB 4.13Å; F475-A491 PolarHBondContact N-O 2.89Å; F475-A491 PolarHBondContact O-N 3.13Å; F475-F493 HydrophobicContact CD1-CB 3.51Å; F475-F493 HydrophobicContact CE1-CB 3.51Å; F475-F493 HydrophobicContact CE1-CG 4.48Å; F475-F493 HydrophobicContact CG-CB 4.41Å; F475-F493 HydrophobicContact CZ-CB 4.37Å; F475-I500 HydrophobicContact CE1-CG2 4.4Å; F475-I500 HydrophobicContact CZ-CD1 4.35Å; F475-I500 HydrophobicContact CZ-CG1 4.48Å; F475-I500 HydrophobicContact CZ-CG2 4.44Å; F475-P579 HydrophobicContact CD2-CB 4.39Å; F475-P579 HydrophobicContact CE2-CB 3.72Å; F475-P579 HydrophobicContact CE2-CG 3.93Å; F475-P579 HydrophobicContact CZ-CB 3.88Å; F475-P579 HydrophobicContact CZ-CG 4.05Å; F475-A582 HydrophobicContact CB-CB 4.1Å; F475-A582 HydrophobicContact CD2-CB 3.78Å; F475-A582 HydrophobicContact CG-CB 4.39Å
476	W	89.5	Confident	76.3	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.011	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.8	172	-65.6	107.5	0	0	0	110.2	L490 L519 A522 P523 L525 V535 V551 P553	W476-L490 HydrophobicContact CD2-CD1 4.28Å; W476-L490 HydrophobicContact CE3-CB 4.22Å; W476-L490 HydrophobicContact CE3-CD1 4.24Å; W476-L490 HydrophobicContact CH2-CB 4.33Å; W476-L490 HydrophobicContact CH2-CD1 4.18Å; W476-L490 HydrophobicContact CZ2-CD1 4.21Å; W476-L490 HydrophobicContact CZ3-CB 3.83Å; W476-L490 HydrophobicContact CZ3-CD1 4.19Å; W476-L519 HydrophobicContact CH2-CD1 3.78Å; W476-L519 HydrophobicContact CZ2-CD1 3.95Å; W476-A522 HydrophobicContact CZ2-CB 4.3Å; W476-P523 PolarHBondContact NE1-O 2.96Å; W476-L525 HydrophobicContact CB-CD1 4Å; W476-L525 HydrophobicContact CB-CG 4.25Å; W476-L525 HydrophobicContact CD2-CD1 4.12Å; W476-L525 HydrophobicContact CG-CB 4.14Å; W476-L525 HydrophobicContact CG-CD1 3.79Å; W476-L525 HydrophobicContact CG-CG 4.14Å; W476-V535 HydrophobicContact CH2-CG1 4.19Å; W476-V535 HydrophobicContact CZ2-CB 3.85Å; W476-V535 HydrophobicContact CZ2-CG1 3.71Å; W476-V535 HydrophobicContact CZ2-CG2 4.08Å; W476-V551 HydrophobicContact CH2-CG1 4.37Å; W476-V551 WeakPolarHBondContact CZ3-O 3.45Å; W476-P553 HydrophobicContact CD2-CB 4.3Å; W476-P553 HydrophobicContact CD2-CG 4.22Å; W476-P553 HydrophobicContact CE3-CB 4.03Å; W476-P553 HydrophobicContact CE3-CG 3.74Å; W476-P553 HydrophobicContact CH2-CB 3.77Å; W476-P553 HydrophobicContact CH2-CG 4.34Å; W476-P553 HydrophobicContact CZ2-CB 4.04Å; W476-P553 HydrophobicContact CZ3-CB 3.76Å; W476-P553 HydrophobicContact CZ3-CG 3.8Å
477	A	87.8	Confident	77.5	Confident	10 Å²	10	64 Å²	64	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.6	175.2	0	0	0	0	0	110.7	F475 S488 H489 A491	F475-A477 HydrophobicContact CE2-CB 3.95Å; F475-A477 HydrophobicContact CZ-CB 3.91Å; A477-S488 WeakPolarHBondContact O-CA 3.47Å; A477-S488 VanDerWaalsContact O-CB 3.31Å; A477-S488 WeakPolarHBondContact O-CB 3.32Å; A477-H489 PolarHBondContact N-O 3.21Å; A477-H489 PolarHBondContact O-N 3.45Å; A477-A491 HydrophobicContact CB-CB 4Å
478	K	87.3	Confident	78.9	Confident	77 Å²	77	56.6 Å²	56.6	34%	0.335	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-64.5	157.4	173.4	71.4	-170.5	-175.5	-163.7	0	111.4	D480 S575 E578	K478-D480 PolarHBondContact O-N 3.3Å; K478-S575 WeakPolarHBondContact CA-O 3.25Å; K478-S575 VanDerWaalsContact CB-O 3.29Å; K478-S575 WeakPolarHBondContact CB-O 3.16Å; K478-E578 IonicContact NZ-OE1 3.58Å; K478-E578 PolarHBondContact NZ-OE1 2.91Å; K478-E578 IonicContact NZ-OE2 3.87Å; K478-E578 PolarHBondContact NZ-OE2 3.14Å
479	P	85.8	Confident	80.2	Confident	42 Å²	42	55.2 Å²	55.2	27%	0.273	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-54.7	136.5	172.9	-25.3	34.8	0	0	0	112.3	R485 P486 I574 S575	P479-R485 CarbonylContact C-O 3.47Å; P479-R485 WeakPolarHBondContact CA-O 3.43Å; P479-P486 WeakPolarHBondContact CB-O 3.35Å; P479-I574 HydrophobicContact CG-CG2 3.76Å; P479-S575 WeakPolarHBondContact CD-O 3.17Å
480	D	80	Confident	81.4	Confident	64 Å²	64	49.4 Å²	49.4	34%	0.342	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-126.8	106.8	172.6	-170.6	-3.1	0	0	0	110.6	K478 R482 T483 Q484 R485	K478-D480 PolarHBondContact O-N 3.3Å; D480-R482 PolarHBondContact O-N 3.19Å; D480-R482 VanDerWaalsContact OD1-CB 3.27Å; D480-R482 WeakPolarHBondContact OD1-CB 3.22Å; D480-R482 WeakPolarHBondContact OD1-CG 3.29Å; D480-R482 PolarHBondContact OD1-N 3.07Å; D480-T483 PolarHBondContact O-N 3.49Å; D480-T483 PolarHBondContact O-OG1 2.91Å; D480-Q484 PolarHBondContact O-N 3.41Å; D480-R485 CarbonylContact C-O 3.48Å; D480-R485 PolarHBondContact N-O 2.85Å; D480-R485 PolarHBondContact O-N 3.48Å
481	L	73.7	Confident	82.3	Confident	147 Å²	147	43.2 Å²	43.2	77%	0.77	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-64.5	-22.2	177.2	-68.8	170.6	0	0	0	112.5	Q484 P486	L481-Q484 PolarHBondContact O-N 3.3Å; L481-P486 HydrophobicContact CD2-CB 4.46Å
482	R	73.6	Confident	82.8	Confident	233 Å²	233	42 Å²	42	88%	0.879	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-70.6	-35.5	179	-62.5	179.3	177.7	179	2.1	112.1	D480 Q484	D480-R482 PolarHBondContact O-N 3.19Å; D480-R482 VanDerWaalsContact OD1-CB 3.27Å; D480-R482 WeakPolarHBondContact OD1-CB 3.22Å; D480-R482 WeakPolarHBondContact OD1-CG 3.29Å; D480-R482 PolarHBondContact OD1-N 3.07Å; R482-Q484 VanDerWaalsContact C-N 3.3Å
483	T	70	Confident	83.1	Confident	34 Å²	34	41.7 Å²	41.7	21%	0.209	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-91.4	7.5	177	58.1	0	0	0	0	112.6	D480 R485	D480-T483 PolarHBondContact O-N 3.49Å; D480-T483 PolarHBondContact O-OG1 2.91Å; T483-R485 PolarHBondContact O-N 3.07Å
484	Q	70.9	Confident	83.1	Confident	129 Å²	129	41.4 Å²	41.4	60%	0.603	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	32.5	-173.4	-54.7	-176.3	0.1	0	0	113.2	D480 L481 R482 P486	D480-Q484 PolarHBondContact O-N 3.41Å; L481-Q484 PolarHBondContact O-N 3.3Å; R482-Q484 VanDerWaalsContact C-N 3.3Å; Q484-P486 WeakPolarHBondContact O-CD 3.28Å
485	R	79.7	Confident	82.7	Confident	16 Å²	16	46.3 Å²	46.3	6%	0.06	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-106.9	85.6	173.8	-67.5	-174.1	174.4	151.6	12.5	109.6	P479 D480 T483 Y487 H489 E502 S543 D550	P479-R485 CarbonylContact C-O 3.47Å; P479-R485 WeakPolarHBondContact CA-O 3.43Å; D480-R485 CarbonylContact C-O 3.48Å; D480-R485 PolarHBondContact N-O 2.85Å; D480-R485 PolarHBondContact O-N 3.48Å; T483-R485 PolarHBondContact O-N 3.07Å; R485-Y487 PolarHBondContact O-N 3.32Å; R485-H489 VanDerWaalsContact CD-CE1 3.49Å; R485-H489 WeakPolarHBondContact CD-CE1 3.17Å; R485-H489 PolarHBondContact NH1-NE2 2.96Å; R485-H489 VanDerWaalsContact NH1-NE2 3.11Å; R485-E502 IonicContact CZ-OE1 3.71Å; R485-E502 IonicContact NH1-OE1 2.8Å; R485-E502 IonicContact NH2-OE1 3.56Å; R485-E502 PolarHBondContact NH2-OE1 3.1Å; R485-S543 PolarHBondContact NH2-OG 3.21Å; R485-D550 WeakPolarHBondContact CD-OD2 3.12Å; R485-D550 IonicContact CZ-OD1 3.3Å; R485-D550 IonicContact CZ-OD2 3.58Å; R485-D550 IonicContact NE-OD1 2.85Å; R485-D550 PolarHBondContact NE-OD1 3.4Å; R485-D550 IonicContact NE-OD2 3.4Å; R485-D550 PolarHBondContact NE-OD2 3.2Å; R485-D550 IonicContact NH1-OD1 3.32Å; R485-D550 IonicContact NH2-OD1 3.55Å
486	P	81.3	Confident	82.2	Confident	33 Å²	33	52.7 Å²	52.7	21%	0.214	25%	0.25	C	S	.	.			trans	-78.6	2.1	-176.8	36	-39	0	0	0	113.7	P479 L481 Q484 E569	P479-P486 WeakPolarHBondContact CB-O 3.35Å; L481-P486 HydrophobicContact CD2-CB 4.46Å; Q484-P486 WeakPolarHBondContact O-CD 3.28Å; P486-E569 HydrophobicContact CB-CG 4.43Å; P486-E569 WeakPolarHBondContact CB-OE1 3.42Å
487	Y	86.2	Confident	81.6	Confident	29 Å²	29	57.5 Å²	57.5	11%	0.114	28%	0.276	C	S	.	.	S	Bend	trans	-118.8	160.9	179.3	34.6	-103.3	0	0	0	111.4	R485 V541 D550 V552 F563	R485-Y487 PolarHBondContact O-N 3.32Å; Y487-V541 HydrophobicContact CE1-CG2 4.47Å; Y487-V541 HydrophobicContact CE2-CG2 3.84Å; Y487-V541 WeakPolarHBondContact OH-CG2 3.22Å; Y487-D550 HydrophobicContact CE2-CB 4.16Å; Y487-V552 HydrophobicContact CD1-CG2 4.47Å; Y487-V552 HydrophobicContact CD2-CG1 4.44Å; Y487-V552 HydrophobicContact CD2-CG2 3.44Å; Y487-V552 VanDerWaalsContact CD2-CG2 3.44Å; Y487-V552 HydrophobicContact CE2-CG2 3.77Å; Y487-V552 HydrophobicContact CG-CG1 4.15Å; Y487-V552 HydrophobicContact CG-CG2 3.83Å; Y487-F563 HydrophobicContact CD1-CZ 4.21Å
488	S	87.7	Confident	81	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.			trans	-69	145.1	168.6	-61.4	0	0	0	0	110.1	A477 P553 I574 S575	A477-S488 WeakPolarHBondContact O-CA 3.47Å; A477-S488 VanDerWaalsContact O-CB 3.31Å; A477-S488 WeakPolarHBondContact O-CB 3.32Å; S488-P553 WeakPolarHBondContact O-CD 3.14Å; S488-I574 WeakPolarHBondContact OG-CA 3.24Å; S488-S575 PolarHBondContact OG-N 3.23Å
489	H	89.1	Confident	80.7	Confident	14 Å²	14	61.5 Å²	61.5	7%	0.065	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.6	-177.8	61.9	-74.2	0	0	0	111.6	A477 R485 A491 D550 V551	A477-H489 PolarHBondContact N-O 3.21Å; A477-H489 PolarHBondContact O-N 3.45Å; R485-H489 VanDerWaalsContact CD-CE1 3.49Å; R485-H489 WeakPolarHBondContact CD-CE1 3.17Å; R485-H489 PolarHBondContact NH1-NE2 2.96Å; R485-H489 VanDerWaalsContact NH1-NE2 3.11Å; H489-A491 PolarHBondContact O-N 2.82Å; H489-D550 HydrophobicContact CB-CB 4.1Å; H489-D550 IonicContact CD2-OD1 3.7Å; H489-V551 WeakPolarHBondContact CA-O 3.16Å
490	L	87.9	Confident	80.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121	179.3	-166.5	73.4	0	0	0	110.9	V461 L474 W476 T503 W505 P523 V551 I589	V461-L490 HydrophobicContact CG2-CD2 4.36Å; L474-L490 HydrophobicContact CD2-CD1 4.47Å; L474-L490 HydrophobicContact CD2-CD2 4.21Å; L474-L490 HydrophobicContact CD2-CG 4.08Å; W476-L490 HydrophobicContact CD2-CD1 4.28Å; W476-L490 HydrophobicContact CE3-CB 4.22Å; W476-L490 HydrophobicContact CE3-CD1 4.24Å; W476-L490 HydrophobicContact CH2-CB 4.33Å; W476-L490 HydrophobicContact CH2-CD1 4.18Å; W476-L490 HydrophobicContact CZ2-CD1 4.21Å; W476-L490 HydrophobicContact CZ3-CB 3.83Å; W476-L490 HydrophobicContact CZ3-CD1 4.19Å; L490-T503 HydrophobicContact CD2-CG2 4.32Å; L490-T503 HydrophobicContact CG-CG2 4.19Å; L490-T503 WeakPolarHBondContact O-CG2 3.37Å; L490-T503 PolarHBondContact O-OG1 3.03Å; L490-W505 HydrophobicContact CD2-CH2 3.94Å; L490-W505 HydrophobicContact CD2-CZ2 3.85Å; L490-P523 HydrophobicContact CD1-CG 3.99Å; L490-V551 HydrophobicContact CB-CB 4.16Å; L490-V551 PolarHBondContact N-O 3.01Å; L490-I589 HydrophobicContact CD1-CD1 4.01Å; L490-I589 HydrophobicContact CD2-CD1 4.05Å
491	A	87.2	Confident	80.4	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.4	-179.3	0	0	0	0	0	111.7	F475 A477 H489 I500	F475-A491 HydrophobicContact CD1-CB 4.33Å; F475-A491 WeakPolarHBondContact CD1-O 3.4Å; F475-A491 HydrophobicContact CE1-CB 3.66Å; F475-A491 HydrophobicContact CZ-CB 4.13Å; F475-A491 PolarHBondContact N-O 2.89Å; F475-A491 PolarHBondContact O-N 3.13Å; A477-A491 HydrophobicContact CB-CB 4Å; H489-A491 PolarHBondContact O-N 2.82Å; A491-I500 HydrophobicContact CB-CG2 4.09Å
492	L	85.8	Confident	80.6	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.2	173.3	-74.4	158.3	0	0	0	109.3	P464 W472 V473 L474 I500 A501 T503	P464-L492 HydrophobicContact CG-CD1 3.95Å; W472-L492 HydrophobicContact CB-CD2 4.3Å; W472-L492 HydrophobicContact CE3-CB 3.85Å; W472-L492 HydrophobicContact CZ3-CB 4.33Å; V473-L492 WeakPolarHBondContact O-CA 3.48Å; L474-L492 HydrophobicContact CD2-CD2 3.59Å; L474-L492 HydrophobicContact CD2-CG 3.87Å; L474-L492 HydrophobicContact CG-CD2 3.72Å; L492-I500 CarbonylContact O-C 3.52Å; L492-I500 VanDerWaalsContact O-CA 3.3Å; L492-I500 WeakPolarHBondContact O-CA 3.42Å; L492-A501 HydrophobicContact CB-CB 4.14Å; L492-A501 PolarHBondContact N-O 2.81Å; L492-A501 PolarHBondContact O-N 3.06Å; L492-T503 HydrophobicContact CD1-CG2 4.36Å; L492-T503 HydrophobicContact CG-CG2 4.08Å
493	F	84.9	Confident	81	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.057	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.8	176.3	175.7	-113.9	0	0	0	110	W472 V473 F475 Q495 D498 D499 I500 P579 Q580	W472-F493 WeakPolarHBondContact CA-O 3.46Å; V473-F493 HydrophobicContact CG2-CB 4.37Å; V473-F493 HydrophobicContact CG2-CD1 4.21Å; V473-F493 PolarHBondContact N-O 3.18Å; V473-F493 PolarHBondContact O-N 3.19Å; F475-F493 HydrophobicContact CD1-CB 3.51Å; F475-F493 HydrophobicContact CE1-CB 3.51Å; F475-F493 HydrophobicContact CE1-CG 4.48Å; F475-F493 HydrophobicContact CG-CB 4.41Å; F475-F493 HydrophobicContact CZ-CB 4.37Å; F493-Q495 HydrophobicContact CD1-CG 4.28Å; F493-Q495 HydrophobicContact CE1-CG 4.34Å; F493-D498 HydrophobicContact CE2-CB 4.19Å; F493-D498 HydrophobicContact CZ-CB 4.49Å; F493-D498 VanDerWaalsContact CZ-OD1 3.31Å; F493-D498 WeakPolarHBondContact CZ-OD1 3.49Å; F493-D499 WeakPolarHBondContact CA-O 3.36Å; F493-I500 HydrophobicContact CD2-CG1 4.11Å; F493-P579 HydrophobicContact CD2-CB 3.72Å; F493-P579 HydrophobicContact CE2-CB 3.75Å; F493-P579 HydrophobicContact CG-CB 4.18Å; F493-P579 HydrophobicContact CZ-CB 4.25Å; F493-Q580 HydrophobicContact CZ-CG 3.88Å
494	N	83.2	Confident	81.6	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.6	171.6	-174.8	-56.2	0	0	0	109.3	Q471 W472 E496 N497 D498 D499	Q471-N494 PolarHBondContact OE1-ND2 2.77Å; Q471-N494 PolarHBondContact OE1-OD1 3.25Å; W472-N494 HydrophobicContact CD2-CB 4.11Å; W472-N494 HydrophobicContact CE3-CB 3.88Å; W472-N494 HydrophobicContact CH2-CB 3.9Å; W472-N494 HydrophobicContact CZ2-CB 4.09Å; W472-N494 HydrophobicContact CZ3-CB 3.78Å; N494-E496 VanDerWaalsContact C-N 3.27Å; N494-E496 PolarHBondContact O-N 2.99Å; N494-E496 PolarHBondContact OD1-N 3.45Å; N494-N497 PolarHBondContact OD1-N 3.36Å; N494-D498 PolarHBondContact O-N 3.45Å; N494-D499 HydrophobicContact CB-CB 4.17Å; N494-D499 PolarHBondContact N-O 3.33Å
495	Q	77.8	Confident	82.2	Confident	113 Å²	113	45 Å²	45	53%	0.528	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.8	-175.1	-66.5	-171.8	-21.7	0	0	115.1	Q471 V473 F493	Q471-Q495 PolarHBondContact O-N 3.44Å; V473-Q495 HydrophobicContact CG1-CG 4.28Å; V473-Q495 HydrophobicContact CG2-CG 3.81Å; F493-Q495 HydrophobicContact CD1-CG 4.28Å; F493-Q495 HydrophobicContact CE1-CG 4.34Å
496	E	76.8	Confident	81.9	Confident	137 Å²	137	50.6 Å²	50.6	64%	0.64	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-43.9	-179.8	-79.5	-162.9	169.3	0	0	113.5	Q471 N494	Q471-E496 PolarHBondContact NE2-OE1 3.29Å; Q471-E496 PolarHBondContact NE2-OE2 3.3Å; N494-E496 VanDerWaalsContact C-N 3.27Å; N494-E496 PolarHBondContact O-N 2.99Å; N494-E496 PolarHBondContact OD1-N 3.45Å
497	N	77.3	Confident	81.8	Confident	103 Å²	103	51.4 Å²	51.4	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.8	-172.3	-66.5	-8.6	0	0	0	113.7	N494 D499	N494-N497 PolarHBondContact OD1-N 3.36Å; N497-D499 PolarHBondContact O-N 2.75Å
498	D	74.9	Confident	81.3	Confident	84 Å²	84	54.6 Å²	54.6	45%	0.449	28%	0.283	S	S	.	.			trans	59.1	18.8	-172	-67.2	-46.8	0	0	0	114.1	F493 N494 Q580	F493-D498 HydrophobicContact CE2-CB 4.19Å; F493-D498 HydrophobicContact CZ-CB 4.49Å; F493-D498 VanDerWaalsContact CZ-OD1 3.31Å; F493-D498 WeakPolarHBondContact CZ-OD1 3.49Å; N494-D498 PolarHBondContact O-N 3.45Å; D498-Q580 PolarHBondContact OD1-NE2 2.87Å; D498-Q580 PolarHBondContact OD2-NE2 2.85Å
499	D	81.4	Confident	80.8	Confident	88 Å²	88	55.2 Å²	55.2	47%	0.471	29%	0.286	S	S	.	.			trans	-76	140.5	179.5	-78	-30	0	0	0	111.6	W472 F493 N494 N497	W472-D499 HydrophobicContact CH2-CB 4.09Å; F493-D499 WeakPolarHBondContact CA-O 3.36Å; N494-D499 HydrophobicContact CB-CB 4.17Å; N494-D499 PolarHBondContact N-O 3.33Å; N497-D499 PolarHBondContact O-N 2.75Å
500	I	79	Confident	79.9	Confident	99 Å²	99	56.1 Å²	56.1	51%	0.508	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.9	175.7	-58	171.5	0	0	0	109.1	F475 A491 L492 F493 P579	F475-I500 HydrophobicContact CE1-CG2 4.4Å; F475-I500 HydrophobicContact CZ-CD1 4.35Å; F475-I500 HydrophobicContact CZ-CG1 4.48Å; F475-I500 HydrophobicContact CZ-CG2 4.44Å; A491-I500 HydrophobicContact CB-CG2 4.09Å; L492-I500 CarbonylContact O-C 3.52Å; L492-I500 VanDerWaalsContact O-CA 3.3Å; L492-I500 WeakPolarHBondContact O-CA 3.42Å; F493-I500 HydrophobicContact CD2-CG1 4.11Å; I500-P579 HydrophobicContact CD1-CG 3.84Å
501	A	79.1	Confident	79	Confident	21 Å²	21	61.6 Å²	61.6	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.4	177	0	0	0	0	0	111.7	W472 L492	W472-A501 HydrophobicContact CE3-CB 4.28Å; W472-A501 HydrophobicContact CH2-CB 3.76Å; W472-A501 HydrophobicContact CZ3-CB 3.51Å; L492-A501 HydrophobicContact CB-CB 4.14Å; L492-A501 PolarHBondContact N-O 2.81Å; L492-A501 PolarHBondContact O-N 3.06Å
502	E	79.9	Confident	78.1	Confident	46 Å²	46	65.4 Å²	65.4	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	153.3	177.8	-60.7	-168.5	151.2	0	0	112.3	R485 F504 H548	R485-E502 IonicContact CZ-OE1 3.71Å; R485-E502 IonicContact NH1-OE1 2.8Å; R485-E502 IonicContact NH2-OE1 3.56Å; R485-E502 PolarHBondContact NH2-OE1 3.1Å; E502-F504 HydrophobicContact CB-CE2 4.42Å; E502-H548 IonicContact OE2-CD2 3.4Å; E502-H548 PolarHBondContact OE2-CD2 3.47Å; E502-H548 IonicContact OE2-CE1 2.78Å; E502-H548 PolarHBondContact OE2-CE1 2.93Å; E502-H548 IonicContact OE2-CG 3.48Å; E502-H548 IonicContact OE2-ND1 2.66Å; E502-H548 PolarHBondContact OE2-ND1 2.92Å; E502-H548 IonicContact OE2-NE2 2.74Å; E502-H548 PolarHBondContact OE2-NE2 2.81Å
503	T	81.6	Confident	77.3	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.067	36%	0.358	C	S	.	.			trans	-86	129.8	178.7	52.6	0	0	0	0	111.5	V461 L474 L490 L492	V461-T503 HydrophobicContact CG1-CG2 4.36Å; L474-T503 HydrophobicContact CD2-CG2 3.57Å; L490-T503 HydrophobicContact CD2-CG2 4.32Å; L490-T503 HydrophobicContact CG-CG2 4.19Å; L490-T503 WeakPolarHBondContact O-CG2 3.37Å; L490-T503 PolarHBondContact O-OG1 3.03Å; L492-T503 HydrophobicContact CD1-CG2 4.36Å; L492-T503 HydrophobicContact CG-CG2 4.08Å
504	F	82.2	Confident	76.8	Confident	105 Å²	105	67.8 Å²	67.8	46%	0.461	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152	171.3	-67.6	-90.2	0	0	0	109.3	V461 K462 E502 H548	V461-F504 CarbonylContact C-O 3.5Å; V461-F504 WeakPolarHBondContact CA-O 3.47Å; K462-F504 HydrophobicContact CB-CB 4.16Å; K462-F504 PolarHBondContact N-O 3.2Å; E502-F504 HydrophobicContact CB-CE2 4.42Å; F504-H548 AromaticContact CE1-CE1 3.49Å; F504-H548 VanDerWaalsContact CE1-CE1 3.49Å; F504-H548 WeakPolarHBondContact CE1-CE1 3.28Å; F504-H548 AromaticContact CE1-ND1 3.92Å; F504-H548 AromaticContact CZ-CE1 3.54Å
505	W	83.2	Confident	76.2	Confident	21 Å²	21	67.9 Å²	67.9	8%	0.08	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.7	-173.2	-60.4	83.6	0	0	0	111.4	H459 V460 V461 L490 P507 S508 L509 V551 I589 M591	H459-W505 HydrophobicContact CB-CE3 4.12Å; V460-W505 CarbonylContact O-C 3.52Å; V460-W505 WeakPolarHBondContact O-CA 3.2Å; V461-W505 HydrophobicContact CG2-CD2 4.24Å; V461-W505 HydrophobicContact CG2-CE3 3.89Å; V461-W505 HydrophobicContact CG2-CH2 3.37Å; V461-W505 HydrophobicContact CG2-CZ2 3.74Å; V461-W505 HydrophobicContact CG2-CZ3 3.46Å; V461-W505 VanDerWaalsContact CG2-CZ3 3.46Å; L490-W505 HydrophobicContact CD2-CH2 3.94Å; L490-W505 HydrophobicContact CD2-CZ2 3.85Å; W505-P507 CarbonylContact C-O 3.51Å; W505-P507 CarbonylContact O-C 3.52Å; W505-S508 WeakPolarHBondContact O-CA 3.33Å; W505-L509 HydrophobicContact CB-CD1 4.4Å; W505-L509 HydrophobicContact CB-CD2 4.14Å; W505-L509 HydrophobicContact CB-CG 3.79Å; W505-L509 VanDerWaalsContact CD1-CD1 3.43Å; W505-L509 HydrophobicContact CD2-CD1 4.28Å; W505-L509 HydrophobicContact CD2-CD2 4.4Å; W505-L509 HydrophobicContact CD2-CG 4.43Å; W505-L509 HydrophobicContact CG-CD1 3.78Å; W505-L509 HydrophobicContact CG-CD2 4.08Å; W505-L509 HydrophobicContact CG-CG 3.71Å; W505-V551 HydrophobicContact CH2-CG2 4.35Å; W505-V551 HydrophobicContact CZ2-CG2 3.53Å; W505-I589 HydrophobicContact CH2-CG2 4.35Å; W505-M591 HydrophobicContact CD2-CE 3.77Å; W505-M591 HydrophobicContact CE3-CE 3.68Å; W505-M591 HydrophobicContact CE3-CG 3.97Å; W505-M591 HydrophobicContact CE3-SD 4.39Å; W505-M591 HydrophobicContact CH2-CE 3.18Å; W505-M591 HydrophobicContact CH2-CG 4.36Å; W505-M591 HydrophobicContact CZ2-CE 3.27Å; W505-M591 HydrophobicContact CZ3-CB 4.11Å; W505-M591 HydrophobicContact CZ3-CE 3.39Å; W505-M591 HydrophobicContact CZ3-CG 3.7Å; W505-M591 HydrophobicContact CZ3-SD 4.31Å
506	H	73.6	Confident	76.1	Confident	133 Å²	133	62.7 Å²	62.7	62%	0.616	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	125	174	-170.2	67	0	0	0	111.5	V460	V460-H506 PolarHBondContact N-O 3.32Å; V460-H506 PolarHBondContact O-N 2.74Å
507	P	78.5	Confident	76.3	Confident	50 Å²	50	56.1 Å²	56.1	33%	0.325	32%	0.315	S	S	.	.	S	Bend	cis	-58.9	160.6	-9.9	25.3	-31.4	0	0	0	111.5	T457 H459 W505 L509	T457-P507 HydrophobicContact CG2-CG 3.45Å; T457-P507 VanDerWaalsContact CG2-CG 3.45Å; H459-P507 PolarHBondContact ND1-O 3.35Å; W505-P507 CarbonylContact C-O 3.51Å; W505-P507 CarbonylContact O-C 3.52Å; P507-L509 PolarHBondContact O-N 2.87Å
508	S	76.4	Confident	76.6	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-55.5	140.3	-179.9	49	0	0	0	0	110.8	W505	W505-S508 WeakPolarHBondContact O-CA 3.33Å
509	L	78.1	Confident	77.1	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-60.9	146.7	175.8	-69.1	-178.6	0	0	0	111	H459 W505 P507 Y515 V540 F549 M591 I593	H459-L509 HydrophobicContact CB-CD2 4.01Å; W505-L509 HydrophobicContact CB-CD1 4.4Å; W505-L509 HydrophobicContact CB-CD2 4.14Å; W505-L509 HydrophobicContact CB-CG 3.79Å; W505-L509 VanDerWaalsContact CD1-CD1 3.43Å; W505-L509 HydrophobicContact CD2-CD1 4.28Å; W505-L509 HydrophobicContact CD2-CD2 4.4Å; W505-L509 HydrophobicContact CD2-CG 4.43Å; W505-L509 HydrophobicContact CG-CD1 3.78Å; W505-L509 HydrophobicContact CG-CD2 4.08Å; W505-L509 HydrophobicContact CG-CG 3.71Å; P507-L509 PolarHBondContact O-N 2.87Å; L509-Y515 WeakPolarHBondContact CB-OH 3.27Å; L509-V540 HydrophobicContact CD1-CG1 4.05Å; L509-V540 HydrophobicContact CD1-CG2 4.41Å; L509-F549 HydrophobicContact CB-CD2 4.3Å; L509-F549 HydrophobicContact CD1-CB 4Å; L509-M591 HydrophobicContact CD1-CE 4.3Å; L509-M591 HydrophobicContact CD2-CE 4.22Å; L509-M591 HydrophobicContact CD2-SD 3.6Å; L509-M591 VanDerWaalsContact CD2-SD 3.6Å; L509-I593 HydrophobicContact CD2-CD1 4.44Å
510	P	68.9	Low	77.3	Confident	34 Å²	34	50.6 Å²	50.6	22%	0.221	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-54.9	139.5	170.8	-25.2	33.6	0	0	0	111.8	V512 Y515 I593	P510-V512 PolarHBondContact O-N 3.35Å; P510-Y515 HydrophobicContact CB-CE1 4.47Å; P510-Y515 WeakPolarHBondContact CD-OH 2.77Å; P510-I593 HydrophobicContact CG-CD1 3.6Å
511	T	69.5	Low	77.5	Confident	117 Å²	117	50.9 Å²	50.9	72%	0.718	28%	0.278	S	S	*	.	S	Bend	trans	-72.4	-7.1	-178.6	53.1	0	0	0	0	114.2
512	V	67.4	Low	77.8	Confident	81 Å²	81	51 Å²	51	49%	0.491	28%	0.28	S	S	.	.	S	Bend	trans	-98	95.6	-178.3	-174.9	0	0	0	0	108.1	P510 Y515	P510-V512 PolarHBondContact O-N 3.35Å; V512-Y515 WeakPolarHBondContact O-CD1 3.3Å; V512-Y515 WeakPolarHBondContact O-CE1 3.25Å
513	A	69	Low	78.1	Confident	25 Å²	25	49.1 Å²	49.1	21%	0.207	27%	0.271	C	S	.	.			trans	-112.5	152.7	174.1	0	0	0	0	0	110.2	Y515 E542 F549	A513-Y515 HydrophobicContact CB-CD1 4.49Å; A513-Y515 HydrophobicContact CB-CE1 4.34Å; A513-E542 HydrophobicContact CB-CB 4.47Å; A513-F549 HydrophobicContact CB-CD1 3.85Å; A513-F549 HydrophobicContact CB-CE1 3.64Å
514	P	75.1	Confident	78.3	Confident	45 Å²	45	52.5 Å²	52.5	29%	0.292	29%	0.286	S	S	.	.			cis	-91.6	156	10.7	36	-35.9	0	0	0	115.7	V539 V540 V541 L564	P514-V539 HydrophobicContact CB-CG1 3.99Å; P514-V540 WeakPolarHBondContact CA-O 3.3Å; P514-V540 VanDerWaalsContact CB-O 3.29Å; P514-V540 WeakPolarHBondContact CB-O 3.18Å; P514-V541 HydrophobicContact CB-CG1 4.14Å; P514-L564 HydrophobicContact CB-CD1 4.11Å; P514-L564 HydrophobicContact CB-CG 4.46Å; P514-L564 HydrophobicContact CG-CD1 4.25Å; P514-L564 HydrophobicContact CG-CG 4.2Å
515	Y	70.6	Confident	78.4	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.9	172.7	54.5	-94.3	0	0	0	113.1	L509 P510 V512 A513 V517 V539 V540 I593	L509-Y515 WeakPolarHBondContact CB-OH 3.27Å; P510-Y515 HydrophobicContact CB-CE1 4.47Å; P510-Y515 WeakPolarHBondContact CD-OH 2.77Å; V512-Y515 WeakPolarHBondContact O-CD1 3.3Å; V512-Y515 WeakPolarHBondContact O-CE1 3.25Å; A513-Y515 HydrophobicContact CB-CD1 4.49Å; A513-Y515 HydrophobicContact CB-CE1 4.34Å; Y515-V517 HydrophobicContact CD2-CG1 3.64Å; Y515-V517 HydrophobicContact CE2-CG1 3.56Å; Y515-V539 WeakPolarHBondContact O-CA 3.25Å; Y515-V540 HydrophobicContact CD2-CB 4.14Å; Y515-V540 HydrophobicContact CD2-CG2 4.2Å; Y515-V540 HydrophobicContact CE1-CB 4.14Å; Y515-V540 HydrophobicContact CE1-CG1 4.13Å; Y515-V540 HydrophobicContact CE2-CB 3.7Å; Y515-V540 HydrophobicContact CE2-CG1 4.29Å; Y515-V540 HydrophobicContact CE2-CG2 3.55Å; Y515-V540 PolarHBondContact N-O 3.25Å; Y515-V540 VanDerWaalsContact N-O 3.16Å; Y515-V540 PolarHBondContact O-N 3.05Å; Y515-I593 HydrophobicContact CD2-CG1 4.46Å; Y515-I593 HydrophobicContact CD2-CG2 3.75Å; Y515-I593 HydrophobicContact CE2-CB 4.5Å; Y515-I593 HydrophobicContact CE2-CD1 3.79Å; Y515-I593 HydrophobicContact CE2-CG1 3.87Å; Y515-I593 HydrophobicContact CE2-CG2 3.96Å
516	I	74.9	Confident	78.4	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.5	-179.3	-57.4	176.5	0	0	0	110.9	W537 A538 V539 A560 Y561 L564 K594 L596	I516-W537 HydrophobicContact CG2-CE3 3.81Å; I516-W537 HydrophobicContact CG2-CZ3 4.08Å; I516-A538 WeakPolarHBondContact CA-O 3.41Å; I516-V539 HydrophobicContact CG1-CG2 4.31Å; I516-A560 HydrophobicContact CD1-CB 4.26Å; I516-A560 HydrophobicContact CG1-CB 4.24Å; I516-A560 HydrophobicContact CG2-CB 4.09Å; I516-Y561 HydrophobicContact CD1-CD2 4.23Å; I516-L564 HydrophobicContact CG1-CD1 4.14Å; I516-K594 CarbonylContact O-C 3.49Å; I516-K594 PolarHBondContact O-N 3.24Å; I516-K594 VanDerWaalsContact O-N 3.1Å; I516-K594 VanDerWaalsContact O-O 3.13Å; I516-L596 HydrophobicContact CD1-CD1 4.27Å
517	V	81.7	Confident	78.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.5	176	-55.5	0	0	0	0	111	Y515 L519 A538 V540 M591 L592 I593	Y515-V517 HydrophobicContact CD2-CG1 3.64Å; Y515-V517 HydrophobicContact CE2-CG1 3.56Å; V517-L519 HydrophobicContact CG2-CD2 3.92Å; V517-L519 HydrophobicContact CG2-CG 4.41Å; V517-A538 HydrophobicContact CG2-CB 3.87Å; V517-A538 PolarHBondContact N-O 3.42Å; V517-A538 PolarHBondContact O-N 3.1Å; V517-V540 HydrophobicContact CG1-CG2 3.66Å; V517-V540 HydrophobicContact CG2-CG2 4.22Å; V517-M591 HydrophobicContact CB-CB 4.3Å; V517-M591 HydrophobicContact CB-SD 4.03Å; V517-M591 HydrophobicContact CG1-SD 3.68Å; V517-M591 HydrophobicContact CG2-CB 4.41Å; V517-M591 HydrophobicContact CG2-CE 4.4Å; V517-M591 HydrophobicContact CG2-SD 4.11Å; V517-L592 WeakPolarHBondContact CA-O 3.36Å; V517-I593 HydrophobicContact CG1-CG1 4.28Å
518	E	83.1	Confident	78.5	Confident	45 Å²	45	46.2 Å²	46.2	21%	0.21	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.8	166.7	-175.1	-169.2	144.1	0	0	107.3	D536 W537 M591 L592 K594	E518-D536 CarbonylContact C-O 3.58Å; E518-D536 WeakPolarHBondContact CA-O 3.35Å; E518-W537 HydrophobicContact CB-CE3 4.38Å; E518-W537 HydrophobicContact CB-CH2 4.17Å; E518-W537 HydrophobicContact CB-CZ3 4.04Å; E518-W537 HydrophobicContact CG-CH2 4.37Å; E518-W537 HydrophobicContact CG-CZ2 4.4Å; E518-M591 CarbonylContact O-C 3.59Å; E518-M591 VanDerWaalsContact O-CA 3.32Å; E518-M591 WeakPolarHBondContact O-CA 3.46Å; E518-L592 HydrophobicContact CB-CB 4.44Å; E518-L592 PolarHBondContact N-O 3.22Å; E518-L592 PolarHBondContact O-N 3.05Å; E518-K594 HydrophobicContact CB-CG 4.05Å; E518-K594 WeakPolarHBondContact OE2-CE 3.21Å; E518-K594 IonicContact OE2-NZ 3.05Å; E518-K594 PolarHBondContact OE2-NZ 2.8Å
519	L	87	Confident	78.5	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.7	179.8	-63.2	-179.5	0	0	0	110.7	W476 V517 A522 V535 D536 A538 V551 M591	W476-L519 HydrophobicContact CH2-CD1 3.78Å; W476-L519 HydrophobicContact CZ2-CD1 3.95Å; V517-L519 HydrophobicContact CG2-CD2 3.92Å; V517-L519 HydrophobicContact CG2-CG 4.41Å; L519-A522 HydrophobicContact CB-CB 4.1Å; L519-A522 HydrophobicContact CD1-CB 4.11Å; L519-V535 HydrophobicContact CD1-CG1 4.04Å; L519-D536 PolarHBondContact N-O 2.67Å; L519-A538 HydrophobicContact CD1-CB 3.67Å; L519-A538 HydrophobicContact CD2-CB 4.48Å; L519-A538 HydrophobicContact CG-CB 4.03Å; L519-V551 HydrophobicContact CD1-CG1 4.3Å; L519-V551 HydrophobicContact CD2-CG1 4.18Å; L519-M591 HydrophobicContact CD2-CB 3.7Å
520	R	84	Confident	78.1	Confident	107 Å²	107	52 Å²	52	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.2	173.7	-66	179.1	172.9	-177.4	-5.5	109.7	E458 A522 S590 L592	E458-R520 IonicContact OE1-NH1 3.83Å; R520-A522 PolarHBondContact O-N 3.5Å; R520-S590 WeakPolarHBondContact CB-OG 3.25Å; R520-S590 PolarHBondContact N-O 3.02Å; R520-S590 PolarHBondContact O-N 2.6Å; R520-S590 VanDerWaalsContact O-N 3.15Å; R520-L592 VanDerWaalsContact CZ-CD1 3.42Å; R520-L592 VanDerWaalsContact NH2-CD1 3.34Å
521	N	84.1	Confident	78.6	Confident	106 Å²	106	53.4 Å²	53.4	57%	0.567	30%	0.295	S	S	*	.	S	Bend	trans	60	24.5	-177.9	-50.1	-48.5	0	0	0	114.3	C587 I589	N521-C587 HydrophobicContact CB-CB 4.46Å; N521-I589 WeakPolarHBondContact O-CG1 3.42Å
522	A	85.5	Confident	79	Confident	24 Å²	24	50.6 Å²	50.6	20%	0.198	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63	147.9	176.3	0	0	0	0	0	111.3	W476 L519 R520	W476-A522 HydrophobicContact CZ2-CB 4.3Å; L519-A522 HydrophobicContact CB-CB 4.1Å; L519-A522 HydrophobicContact CD1-CB 4.11Å; R520-A522 PolarHBondContact O-N 3.5Å
523	P	85.4	Confident	79.7	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.032	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63	149.4	172.9	26.2	-32.7	0	0	0	109.4	W476 L490 C585 I589	W476-P523 PolarHBondContact NE1-O 2.96Å; L490-P523 HydrophobicContact CD1-CG 3.99Å; P523-C585 HydrophobicContact CB-CB 4.11Å; P523-I589 HydrophobicContact CG-CD1 4.36Å
524	Q	85.3	Confident	80.5	Confident	82 Å²	82	51.7 Å²	51.7	38%	0.383	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64.2	139.9	171	-73	-175.8	-23.6	0	0	110	A532 A533 D534 P583	Q524-A532 HydrophobicContact CB-CB 4.31Å; Q524-A533 WeakPolarHBondContact CA-O 3.26Å; Q524-D534 VanDerWaalsContact CG-OD1 3.27Å; Q524-D534 WeakPolarHBondContact CG-OD1 3.37Å; Q524-D534 PolarHBondContact NE2-OD1 3.31Å; Q524-P583 HydrophobicContact CB-CB 4.14Å; Q524-P583 HydrophobicContact CB-CG 4.34Å; Q524-P583 WeakPolarHBondContact O-CB 3.46Å; Q524-P583 WeakPolarHBondContact O-CG 3.2Å
525	L	85.3	Confident	81	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.3	173.5	-171.4	147.5	0	0	0	108.9	W476 L527 A533 V535 P553 L573	W476-L525 HydrophobicContact CB-CD1 4Å; W476-L525 HydrophobicContact CB-CG 4.25Å; W476-L525 HydrophobicContact CD2-CD1 4.12Å; W476-L525 HydrophobicContact CG-CB 4.14Å; W476-L525 HydrophobicContact CG-CD1 3.79Å; W476-L525 HydrophobicContact CG-CG 4.14Å; L525-L527 HydrophobicContact CD2-CD2 3.59Å; L525-L527 HydrophobicContact CD2-CG 4.06Å; L525-A533 PolarHBondContact N-O 3.41Å; L525-A533 PolarHBondContact O-N 3.24Å; L525-V535 HydrophobicContact CB-CG2 3.67Å; L525-P553 HydrophobicContact CD1-CB 3.91Å; L525-P553 HydrophobicContact CD1-CG 3.48Å; L525-P553 VanDerWaalsContact CD1-CG 3.48Å; L525-L573 HydrophobicContact CD1-CB 3.89Å; L525-L573 HydrophobicContact CD2-CB 4.14Å
526	K	82.5	Confident	81.8	Confident	51 Å²	51	54.2 Å²	54.2	22%	0.222	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.9	175.6	-168.5	170.5	-179.5	-158	0	109.9	D530 S575 V577 P583	K526-D530 WeakPolarHBondContact CE-OD1 3.06Å; K526-D530 IonicContact NZ-OD1 3.04Å; K526-D530 PolarHBondContact NZ-OD1 3.19Å; K526-S575 PolarHBondContact O-OG 3.39Å; K526-V577 HydrophobicContact CB-CG2 3.92Å; K526-V577 HydrophobicContact CD-CG1 4.45Å; K526-V577 HydrophobicContact CD-CG2 3.96Å; K526-V577 HydrophobicContact CG-CG2 3.92Å; K526-P583 HydrophobicContact CB-CG 4.21Å
527	L	81.5	Confident	82.3	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.188	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-83.1	162.9	-178.2	-71.2	173.9	0	0	0	111.8	L525 D529 D530 T531 A533 L573	L525-L527 HydrophobicContact CD2-CD2 3.59Å; L525-L527 HydrophobicContact CD2-CG 4.06Å; L527-D529 VanDerWaalsContact CB-OD1 3.27Å; L527-D529 WeakPolarHBondContact CB-OD1 3.29Å; L527-D529 PolarHBondContact O-N 3.1Å; L527-D529 VanDerWaalsContact O-N 3.12Å; L527-D530 PolarHBondContact O-N 3.49Å; L527-D530 VanDerWaalsContact O-N 3.08Å; L527-T531 WeakPolarHBondContact CD1-OG1 3.49Å; L527-T531 PolarHBondContact N-O 3.35Å; L527-A533 HydrophobicContact CD1-CB 3.92Å; L527-A533 HydrophobicContact CG-CB 4.26Å; L527-L573 HydrophobicContact CD2-CD2 4.14Å
528	P	72.9	Confident	82.6	Confident	89 Å²	89	56.6 Å²	56.6	58%	0.578	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.8	-177.4	-23.6	33.9	0	0	0	115.1	D530 Q576	P528-D530 VanDerWaalsContact C-N 3.28Å; P528-Q576 HydrophobicContact CG-CG 4.39Å
529	D	76.8	Confident	82.7	Confident	107 Å²	107	54.5 Å²	54.5	57%	0.572	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	17.3	178.2	63.6	-11.8	0	0	0	113.3	L527 T531	L527-D529 VanDerWaalsContact CB-OD1 3.27Å; L527-D529 WeakPolarHBondContact CB-OD1 3.29Å; L527-D529 PolarHBondContact O-N 3.1Å; L527-D529 VanDerWaalsContact O-N 3.12Å; D529-T531 PolarHBondContact O-N 2.84Å; D529-T531 WeakPolarHBondContact OD1-CB 3.44Å; D529-T531 PolarHBondContact OD1-N 3.41Å; D529-T531 PolarHBondContact OD1-OG1 3.3Å; D529-T531 PolarHBondContact OD2-OG1 3.49Å
530	D	69.6	Low	82.7	Confident	122 Å²	122	54.2 Å²	54.2	65%	0.652	30%	0.295	S	S	*	.	S	Bend	trans	65.5	10.2	-177.5	-110.9	-9.4	0	0	0	113.9	K526 L527 P528	K526-D530 WeakPolarHBondContact CE-OD1 3.06Å; K526-D530 IonicContact NZ-OD1 3.04Å; K526-D530 PolarHBondContact NZ-OD1 3.19Å; L527-D530 PolarHBondContact O-N 3.49Å; L527-D530 VanDerWaalsContact O-N 3.08Å; P528-D530 VanDerWaalsContact C-N 3.28Å
531	T	78.5	Confident	82.7	Confident	65 Å²	65	50 Å²	50	40%	0.399	28%	0.28	S	S	.	.			trans	-83	144	173.7	65.6	0	0	0	0	111.4	L527 D529	L527-T531 WeakPolarHBondContact CD1-OG1 3.49Å; L527-T531 PolarHBondContact N-O 3.35Å; D529-T531 PolarHBondContact O-N 2.84Å; D529-T531 WeakPolarHBondContact OD1-CB 3.44Å; D529-T531 PolarHBondContact OD1-N 3.41Å; D529-T531 PolarHBondContact OD1-OG1 3.3Å; D529-T531 PolarHBondContact OD2-OG1 3.49Å
532	A	79.2	Confident	82.5	Confident	58 Å²	58	49.3 Å²	49.3	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.4	172.2	0	0	0	0	0	109	Q524	Q524-A532 HydrophobicContact CB-CB 4.31Å
533	A	82.6	Confident	81.8	Confident	21 Å²	21	48.3 Å²	48.3	17%	0.174	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.8	176.4	0	0	0	0	0	110.2	Q524 L525 L527	Q524-A533 WeakPolarHBondContact CA-O 3.26Å; L525-A533 PolarHBondContact N-O 3.41Å; L525-A533 PolarHBondContact O-N 3.24Å; L527-A533 HydrophobicContact CD1-CB 3.92Å; L527-A533 HydrophobicContact CG-CB 4.26Å
534	D	84.7	Confident	80.8	Confident	108 Å²	108	54.3 Å²	54.3	58%	0.578	30%	0.297	S	S	*	.			trans	-70.6	134.7	166.7	-64.8	-42.1	0	0	0	108.8	Q524	Q524-D534 VanDerWaalsContact CG-OD1 3.27Å; Q524-D534 WeakPolarHBondContact CG-OD1 3.37Å; Q524-D534 PolarHBondContact NE2-OD1 3.31Å
535	V	85.7	Confident	79.6	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.024	30%	0.3	C	S	.	.			trans	-111.9	95.4	-178.2	-172.8	0	0	0	0	109.5	W476 L519 L525 P553 L573	W476-V535 HydrophobicContact CH2-CG1 4.19Å; W476-V535 HydrophobicContact CZ2-CB 3.85Å; W476-V535 HydrophobicContact CZ2-CG1 3.71Å; W476-V535 HydrophobicContact CZ2-CG2 4.08Å; L519-V535 HydrophobicContact CD1-CG1 4.04Å; L525-V535 HydrophobicContact CB-CG2 3.67Å; V535-P553 HydrophobicContact CG1-CB 3.54Å; V535-P553 HydrophobicContact CG2-CB 4.16Å; V535-L573 HydrophobicContact CG2-CD1 4.06Å
536	D	86.5	Confident	78.4	Confident	98 Å²	98	61 Å²	61	52%	0.524	33%	0.328	S	S	.	.			trans	-92.1	-20.2	178.2	-61.8	-35.6	0	0	0	112.7	E518 L519	E518-D536 CarbonylContact C-O 3.58Å; E518-D536 WeakPolarHBondContact CA-O 3.35Å; L519-D536 PolarHBondContact N-O 2.67Å
537	W	85.9	Confident	77.3	Confident	54 Å²	54	68.4 Å²	68.4	21%	0.205	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.1	-174.3	-66.4	93.9	0	0	0	111.9	I516 E518 C554 R557 K594	I516-W537 HydrophobicContact CG2-CE3 3.81Å; I516-W537 HydrophobicContact CG2-CZ3 4.08Å; E518-W537 HydrophobicContact CB-CE3 4.38Å; E518-W537 HydrophobicContact CB-CH2 4.17Å; E518-W537 HydrophobicContact CB-CZ3 4.04Å; E518-W537 HydrophobicContact CG-CH2 4.37Å; E518-W537 HydrophobicContact CG-CZ2 4.4Å; W537-C554 PolarHBondContact O-N 3.04Å; W537-C554 VanDerWaalsContact O-O 3.12Å; W537-R557 HydrophobicContact CD2-CB 3.86Å; W537-R557 HydrophobicContact CD2-CG 4.33Å; W537-R557 HydrophobicContact CE3-CB 4.17Å; W537-R557 HydrophobicContact CE3-CG 4.15Å; W537-R557 HydrophobicContact CG-CB 4.24Å; W537-R557 HydrophobicContact CH2-CG 4.28Å; W537-R557 HydrophobicContact CZ2-CB 4.26Å; W537-R557 HydrophobicContact CZ2-CG 4.46Å; W537-R557 HydrophobicContact CZ3-CB 4.49Å; W537-R557 HydrophobicContact CZ3-CG 4.1Å; W537-K594 HydrophobicContact CH2-CG 4.2Å; W537-K594 HydrophobicContact CZ3-CB 4.29Å; W537-K594 HydrophobicContact CZ3-CG 3.89Å
538	A	87.6	Confident	77	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	167.3	178.7	0	0	0	0	0	112.2	I516 V517 L519 V551 V552	I516-A538 WeakPolarHBondContact CA-O 3.41Å; V517-A538 HydrophobicContact CG2-CB 3.87Å; V517-A538 PolarHBondContact N-O 3.42Å; V517-A538 PolarHBondContact O-N 3.1Å; L519-A538 HydrophobicContact CD1-CB 3.67Å; L519-A538 HydrophobicContact CD2-CB 4.48Å; L519-A538 HydrophobicContact CG-CB 4.03Å; A538-V551 HydrophobicContact CB-CG1 3.56Å; A538-V552 CarbonylContact C-O 3.51Å; A538-V552 WeakPolarHBondContact CA-O 3.26Å; A538-V552 WeakPolarHBondContact CB-O 3.14Å
539	V	86.6	Confident	77.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	171.9	180	0	0	0	0	109.1	P514 Y515 I516 V541 V552 A560 F563 L564	P514-V539 HydrophobicContact CB-CG1 3.99Å; Y515-V539 WeakPolarHBondContact O-CA 3.25Å; I516-V539 HydrophobicContact CG1-CG2 4.31Å; V539-V541 HydrophobicContact CG1-CG1 3.89Å; V539-V552 PolarHBondContact N-O 2.79Å; V539-V552 PolarHBondContact O-N 3.01Å; V539-A560 HydrophobicContact CG2-CB 3.8Å; V539-A560 VanDerWaalsContact CG2-O 3.31Å; V539-A560 WeakPolarHBondContact CG2-O 3.45Å; V539-F563 HydrophobicContact CB-CD1 3.77Å; V539-F563 HydrophobicContact CB-CE1 4.02Å; V539-F563 HydrophobicContact CG1-CD1 4.16Å; V539-F563 HydrophobicContact CG1-CE1 4.23Å; V539-F563 HydrophobicContact CG2-CD1 3.79Å; V539-L564 HydrophobicContact CG1-CD1 3.99Å; V539-L564 HydrophobicContact CG2-CB 4.49Å
540	V	85.8	Confident	78	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.9	169.1	179.3	0	0	0	0	108	L509 P514 Y515 V517 F549 D550 V551 M591	L509-V540 HydrophobicContact CD1-CG1 4.05Å; L509-V540 HydrophobicContact CD1-CG2 4.41Å; P514-V540 WeakPolarHBondContact CA-O 3.3Å; P514-V540 VanDerWaalsContact CB-O 3.29Å; P514-V540 WeakPolarHBondContact CB-O 3.18Å; Y515-V540 HydrophobicContact CD2-CB 4.14Å; Y515-V540 HydrophobicContact CD2-CG2 4.2Å; Y515-V540 HydrophobicContact CE1-CB 4.14Å; Y515-V540 HydrophobicContact CE1-CG1 4.13Å; Y515-V540 HydrophobicContact CE2-CB 3.7Å; Y515-V540 HydrophobicContact CE2-CG1 4.29Å; Y515-V540 HydrophobicContact CE2-CG2 3.55Å; Y515-V540 PolarHBondContact N-O 3.25Å; Y515-V540 VanDerWaalsContact N-O 3.16Å; Y515-V540 PolarHBondContact O-N 3.05Å; V517-V540 HydrophobicContact CG1-CG2 3.66Å; V517-V540 HydrophobicContact CG2-CG2 4.22Å; V540-F549 HydrophobicContact CG1-CB 3.86Å; V540-F549 HydrophobicContact CG1-CD1 4.05Å; V540-F549 HydrophobicContact CG1-CG 4.21Å; V540-D550 CarbonylContact C-O 3.47Å; V540-D550 WeakPolarHBondContact CA-O 3.48Å; V540-V551 HydrophobicContact CG2-CG2 4.35Å; V540-M591 HydrophobicContact CG2-CE 4.09Å; V540-M591 HydrophobicContact CG2-SD 4.11Å
541	V	85.6	Confident	78.9	Confident	18 Å²	18	56.1 Å²	56.1	11%	0.109	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.4	177.1	-59.4	0	0	0	0	109.9	Y487 P514 V539 S543 F549 D550 V552 F563	Y487-V541 HydrophobicContact CE1-CG2 4.47Å; Y487-V541 HydrophobicContact CE2-CG2 3.84Å; Y487-V541 WeakPolarHBondContact OH-CG2 3.22Å; P514-V541 HydrophobicContact CB-CG1 4.14Å; V539-V541 HydrophobicContact CG1-CG1 3.89Å; V541-S543 PolarHBondContact O-N 2.91Å; V541-F549 CarbonylContact O-C 3.37Å; V541-F549 WeakPolarHBondContact O-CA 3.35Å; V541-D550 HydrophobicContact CG2-CB 3.88Å; V541-D550 PolarHBondContact N-O 2.76Å; V541-D550 PolarHBondContact O-N 3.17Å; V541-V552 HydrophobicContact CG1-CG2 4.28Å; V541-V552 HydrophobicContact CG2-CG2 3.68Å; V541-F563 HydrophobicContact CG1-CE1 3.96Å; V541-F563 HydrophobicContact CG1-CZ 4.37Å
542	E	79.6	Confident	79.5	Confident	93 Å²	93	53 Å²	53	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.2	170.4	-168.4	177.5	-174.3	0	0	108.9	A513 N544 H548 F549	A513-E542 HydrophobicContact CB-CB 4.47Å; E542-N544 PolarHBondContact O-N 3.42Å; E542-H548 CarbonylContact C-O 3.59Å; E542-F549 HydrophobicContact CB-CD1 4.4Å; E542-F549 HydrophobicContact CB-CE1 4.19Å; E542-F549 HydrophobicContact CG-CE1 4.31Å
543	S	70.1	Confident	80.1	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	24%	0.239	C	C	.	.			trans	-68.2	122.2	168.6	169	0	0	0	0	108.6	R485 V541 Y545 H548 D550	R485-S543 PolarHBondContact NH2-OG 3.21Å; V541-S543 PolarHBondContact O-N 2.91Å; S543-Y545 PolarHBondContact O-N 3.34Å; S543-Y545 VanDerWaalsContact O-N 3.16Å; S543-Y545 WeakPolarHBondContact OG-CB 3.08Å; S543-Y545 PolarHBondContact OG-N 2.76Å; S543-Y545 VanDerWaalsContact OG-N 3.16Å; S543-Y545 PolarHBondContact OG-O 2.72Å; S543-H548 VanDerWaalsContact CB-O 3.28Å; S543-H548 WeakPolarHBondContact CB-O 3.26Å; S543-H548 PolarHBondContact N-O 2.78Å; S543-D550 WeakPolarHBondContact CB-OD2 3.46Å
544	N	65	Low	80.4	Confident	132 Å²	132	49.3 Å²	49.3	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.6	170.2	-76.4	-16.4	0	0	0	111.9	E542	E542-N544 PolarHBondContact O-N 3.42Å
545	Y	58.8	Low	80.3	Confident	110 Å²	110	47.6 Å²	47.6	43%	0.431	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	117.1	173.2	-172.5	-95.2	0	0	0	109.8	S543 R547 H548	S543-Y545 PolarHBondContact O-N 3.34Å; S543-Y545 VanDerWaalsContact O-N 3.16Å; S543-Y545 WeakPolarHBondContact OG-CB 3.08Å; S543-Y545 PolarHBondContact OG-N 2.76Å; S543-Y545 VanDerWaalsContact OG-N 3.16Å; S543-Y545 PolarHBondContact OG-O 2.72Å; Y545-R547 PolarHBondContact O-N 3Å; Y545-H548 PolarHBondContact O-N 3.46Å
546	D	60.7	Low	80.1	Confident	113 Å²	113	49.3 Å²	49.3	60%	0.604	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	16.8	175.5	-74.3	-20.4	0	0	0	117.5	H548	D546-H548 PolarHBondContact O-CD2 3.07Å; D546-H548 PolarHBondContact O-N 3.32Å
547	R	60.6	Low	79.4	Confident	206 Å²	206	47.8 Å²	47.8	78%	0.777	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	38.1	-177.7	-61.3	-175.7	176.7	-176.2	-3.2	113	Y545	Y545-R547 PolarHBondContact O-N 3Å
548	H	74.8	Confident	78.6	Confident	50 Å²	50	51.5 Å²	51.5	23%	0.231	25%	0.251	C	S	.	.			trans	-87.4	167.7	172.9	-79.6	-82	0	0	0	111.8	E502 F504 E542 S543 Y545 D546	E502-H548 IonicContact OE2-CD2 3.4Å; E502-H548 PolarHBondContact OE2-CD2 3.47Å; E502-H548 IonicContact OE2-CE1 2.78Å; E502-H548 PolarHBondContact OE2-CE1 2.93Å; E502-H548 IonicContact OE2-CG 3.48Å; E502-H548 IonicContact OE2-ND1 2.66Å; E502-H548 PolarHBondContact OE2-ND1 2.92Å; E502-H548 IonicContact OE2-NE2 2.74Å; E502-H548 PolarHBondContact OE2-NE2 2.81Å; F504-H548 AromaticContact CE1-CE1 3.49Å; F504-H548 VanDerWaalsContact CE1-CE1 3.49Å; F504-H548 WeakPolarHBondContact CE1-CE1 3.28Å; F504-H548 AromaticContact CE1-ND1 3.92Å; F504-H548 AromaticContact CZ-CE1 3.54Å; E542-H548 CarbonylContact C-O 3.59Å; S543-H548 VanDerWaalsContact CB-O 3.28Å; S543-H548 WeakPolarHBondContact CB-O 3.26Å; S543-H548 PolarHBondContact N-O 2.78Å; Y545-H548 PolarHBondContact O-N 3.46Å; D546-H548 PolarHBondContact O-CD2 3.07Å; D546-H548 PolarHBondContact O-N 3.32Å
549	F	82.9	Confident	77.9	Confident	41 Å²	41	52.4 Å²	52.4	18%	0.18	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	175.6	-67.5	-68.1	0	0	0	110	L509 A513 V540 V541 E542	L509-F549 HydrophobicContact CB-CD2 4.3Å; L509-F549 HydrophobicContact CD1-CB 4Å; A513-F549 HydrophobicContact CB-CD1 3.85Å; A513-F549 HydrophobicContact CB-CE1 3.64Å; V540-F549 HydrophobicContact CG1-CB 3.86Å; V540-F549 HydrophobicContact CG1-CD1 4.05Å; V540-F549 HydrophobicContact CG1-CG 4.21Å; V541-F549 CarbonylContact O-C 3.37Å; V541-F549 WeakPolarHBondContact O-CA 3.35Å; E542-F549 HydrophobicContact CB-CD1 4.4Å; E542-F549 HydrophobicContact CB-CE1 4.19Å; E542-F549 HydrophobicContact CG-CE1 4.31Å
550	D	86.8	Confident	77.1	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.1	174.3	-71.8	-31.2	0	0	0	110	R485 Y487 H489 V540 V541 S543	R485-D550 WeakPolarHBondContact CD-OD2 3.12Å; R485-D550 IonicContact CZ-OD1 3.3Å; R485-D550 IonicContact CZ-OD2 3.58Å; R485-D550 IonicContact NE-OD1 2.85Å; R485-D550 PolarHBondContact NE-OD1 3.4Å; R485-D550 IonicContact NE-OD2 3.4Å; R485-D550 PolarHBondContact NE-OD2 3.2Å; R485-D550 IonicContact NH1-OD1 3.32Å; R485-D550 IonicContact NH2-OD1 3.55Å; Y487-D550 HydrophobicContact CE2-CB 4.16Å; H489-D550 HydrophobicContact CB-CB 4.1Å; H489-D550 IonicContact CD2-OD1 3.7Å; V540-D550 CarbonylContact C-O 3.47Å; V540-D550 WeakPolarHBondContact CA-O 3.48Å; V541-D550 HydrophobicContact CG2-CB 3.88Å; V541-D550 PolarHBondContact N-O 2.76Å; V541-D550 PolarHBondContact O-N 3.17Å; S543-D550 WeakPolarHBondContact CB-OD2 3.46Å
551	V	89.3	Confident	76.1	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.6	172.3	-176.8	0	0	0	0	108.2	W476 H489 L490 W505 L519 A538 V540 M591	W476-V551 HydrophobicContact CH2-CG1 4.37Å; W476-V551 WeakPolarHBondContact CZ3-O 3.45Å; H489-V551 WeakPolarHBondContact CA-O 3.16Å; L490-V551 HydrophobicContact CB-CB 4.16Å; L490-V551 PolarHBondContact N-O 3.01Å; W505-V551 HydrophobicContact CH2-CG2 4.35Å; W505-V551 HydrophobicContact CZ2-CG2 3.53Å; L519-V551 HydrophobicContact CD1-CG1 4.3Å; L519-V551 HydrophobicContact CD2-CG1 4.18Å; A538-V551 HydrophobicContact CB-CG1 3.56Å; V540-V551 HydrophobicContact CG2-CG2 4.35Å; V551-M591 HydrophobicContact CG1-CE 4.45Å; V551-M591 HydrophobicContact CG2-CE 3.51Å
552	V	90.2	Very high	75.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120	-174.5	-176.8	0	0	0	0	110.5	Y487 A538 V539 V541 F563 T572	Y487-V552 HydrophobicContact CD1-CG2 4.47Å; Y487-V552 HydrophobicContact CD2-CG1 4.44Å; Y487-V552 HydrophobicContact CD2-CG2 3.44Å; Y487-V552 VanDerWaalsContact CD2-CG2 3.44Å; Y487-V552 HydrophobicContact CE2-CG2 3.77Å; Y487-V552 HydrophobicContact CG-CG1 4.15Å; Y487-V552 HydrophobicContact CG-CG2 3.83Å; A538-V552 CarbonylContact C-O 3.51Å; A538-V552 WeakPolarHBondContact CA-O 3.26Å; A538-V552 WeakPolarHBondContact CB-O 3.14Å; V539-V552 PolarHBondContact N-O 2.79Å; V539-V552 PolarHBondContact O-N 3.01Å; V541-V552 HydrophobicContact CG1-CG2 4.28Å; V541-V552 HydrophobicContact CG2-CG2 3.68Å; V552-F563 HydrophobicContact CB-CE1 3.91Å; V552-F563 HydrophobicContact CG1-CD1 4.37Å; V552-F563 HydrophobicContact CG1-CE1 3.77Å; V552-F563 HydrophobicContact CG1-CZ 4.09Å; V552-F563 HydrophobicContact CG2-CE1 4.14Å; V552-F563 HydrophobicContact CG2-CZ 4.45Å; V552-T572 HydrophobicContact CG1-CG2 3.56Å
553	P	92.2	Very high	74.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.2	-174.9	31	-33.6	0	0	0	111.7	W476 S488 L525 V535 L573	W476-P553 HydrophobicContact CD2-CB 4.3Å; W476-P553 HydrophobicContact CD2-CG 4.22Å; W476-P553 HydrophobicContact CE3-CB 4.03Å; W476-P553 HydrophobicContact CE3-CG 3.74Å; W476-P553 HydrophobicContact CH2-CB 3.77Å; W476-P553 HydrophobicContact CH2-CG 4.34Å; W476-P553 HydrophobicContact CZ2-CB 4.04Å; W476-P553 HydrophobicContact CZ3-CB 3.76Å; W476-P553 HydrophobicContact CZ3-CG 3.8Å; S488-P553 WeakPolarHBondContact O-CD 3.14Å; L525-P553 HydrophobicContact CD1-CB 3.91Å; L525-P553 HydrophobicContact CD1-CG 3.48Å; L525-P553 VanDerWaalsContact CD1-CG 3.48Å; V535-P553 HydrophobicContact CG1-CB 3.54Å; V535-P553 HydrophobicContact CG2-CB 4.16Å; P553-L573 HydrophobicContact CB-CB 4.22Å; P553-L573 HydrophobicContact CB-CD1 4.5Å; P553-L573 HydrophobicContact CG-CB 4.18Å; P553-L573 WeakPolarHBondContact CG-O 3.29Å; P553-L573 PolarHBondContact O-N 2.88Å
554	C	88.5	Confident	74.7	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.5	179.1	-63.2	0	0	0	0	110.4	W537 S556 A559 A560	W537-C554 PolarHBondContact O-N 3.04Å; W537-C554 VanDerWaalsContact O-O 3.12Å; C554-S556 VanDerWaalsContact C-N 3.29Å; C554-S556 PolarHBondContact O-N 3.34Å; C554-A559 HydrophobicContact CB-CB 4.35Å; C554-A560 HydrophobicContact CB-CB 3.79Å; C554-A560 VanDerWaalsContact SG-CA 3.59Å
555	A	83.9	Confident	74.4	Confident	72 Å²	72	51.7 Å²	51.7	60%	0.595	26%	0.255	S	S	*	.	S	Bend	trans	-67.4	-30.3	-175.2	0	0	0	0	0	113.5	A559 L573	A555-A559 HydrophobicContact CB-CB 4.42Å; A555-L573 HydrophobicContact CB-CD2 3.86Å; A555-L573 HydrophobicContact CB-CG 4.29Å
556	S	80	Confident	74.9	Confident	39 Å²	39	49.7 Å²	49.7	27%	0.273	26%	0.257	S	S	.	.	S	Bend	trans	-154.3	175.1	179.9	80.3	0	0	0	0	110.2	C554 E558 A559 A560	C554-S556 VanDerWaalsContact C-N 3.29Å; C554-S556 PolarHBondContact O-N 3.34Å; S556-E558 VanDerWaalsContact C-N 3.29Å; S556-E558 VanDerWaalsContact CB-OE2 3.27Å; S556-E558 WeakPolarHBondContact CB-OE2 3.49Å; S556-E558 PolarHBondContact O-N 2.79Å; S556-E558 PolarHBondContact OG-N 3.34Å; S556-E558 PolarHBondContact OG-OE2 2.96Å; S556-A559 PolarHBondContact O-N 2.84Å; S556-A559 PolarHBondContact OG-N 3.43Å; S556-A560 PolarHBondContact O-N 3.05Å
557	R	72.1	Confident	75.2	Confident	66 Å²	66	53 Å²	53	25%	0.249	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-38.7	173.3	-175.7	178.3	172.4	-158.7	-6	112.1	W537 A560 Y561 S676	W537-R557 HydrophobicContact CD2-CB 3.86Å; W537-R557 HydrophobicContact CD2-CG 4.33Å; W537-R557 HydrophobicContact CE3-CB 4.17Å; W537-R557 HydrophobicContact CE3-CG 4.15Å; W537-R557 HydrophobicContact CG-CB 4.24Å; W537-R557 HydrophobicContact CH2-CG 4.28Å; W537-R557 HydrophobicContact CZ2-CB 4.26Å; W537-R557 HydrophobicContact CZ2-CG 4.46Å; W537-R557 HydrophobicContact CZ3-CB 4.49Å; W537-R557 HydrophobicContact CZ3-CG 4.1Å; R557-A560 PolarHBondContact O-N 3.25Å; R557-Y561 PolarHBondContact O-N 3Å; R557-S676 VanDerWaalsContact NH1-CB 3.27Å; R557-S676 PolarHBondContact NH1-OG 3.48Å
558	E	69.1	Low	75.8	Confident	133 Å²	133	44.1 Å²	44.1	62%	0.621	23%	0.234	S	C	*	.	H	α-helix	trans	-66.8	-40	178	-59.1	70.4	-150.6	0	0	110.9	S556 Y561 A562	S556-E558 VanDerWaalsContact C-N 3.29Å; S556-E558 VanDerWaalsContact CB-OE2 3.27Å; S556-E558 WeakPolarHBondContact CB-OE2 3.49Å; S556-E558 PolarHBondContact O-N 2.79Å; S556-E558 PolarHBondContact OG-N 3.34Å; S556-E558 PolarHBondContact OG-OE2 2.96Å; E558-Y561 WeakPolarHBondContact O-CB 3.07Å; E558-Y561 PolarHBondContact O-N 2.92Å; E558-A562 WeakPolarHBondContact O-CB 3.38Å; E558-A562 PolarHBondContact O-N 3.22Å
559	A	72.9	Confident	75.6	Confident	19 Å²	19	46.1 Å²	46.1	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-40.8	175	0	0	0	0	0	111.8	C554 A555 S556 Y561 A562 F563	C554-A559 HydrophobicContact CB-CB 4.35Å; A555-A559 HydrophobicContact CB-CB 4.42Å; S556-A559 PolarHBondContact O-N 2.84Å; S556-A559 PolarHBondContact OG-N 3.43Å; A559-Y561 VanDerWaalsContact C-N 3.27Å; A559-Y561 PolarHBondContact O-N 3.49Å; A559-A562 PolarHBondContact O-N 3.18Å; A559-F563 WeakPolarHBondContact O-CB 3.27Å; A559-F563 PolarHBondContact O-N 3.12Å
560	A	69.7	Low	75.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-38.4	173.5	0	0	0	0	0	112	I516 V539 C554 S556 R557 L564	I516-A560 HydrophobicContact CD1-CB 4.26Å; I516-A560 HydrophobicContact CG1-CB 4.24Å; I516-A560 HydrophobicContact CG2-CB 4.09Å; V539-A560 HydrophobicContact CG2-CB 3.8Å; V539-A560 VanDerWaalsContact CG2-O 3.31Å; V539-A560 WeakPolarHBondContact CG2-O 3.45Å; C554-A560 HydrophobicContact CB-CB 3.79Å; C554-A560 VanDerWaalsContact SG-CA 3.59Å; S556-A560 PolarHBondContact O-N 3.05Å; R557-A560 PolarHBondContact O-N 3.25Å; A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.42Å; A560-L564 PolarHBondContact O-N 3.41Å
561	Y	64.8	Low	74.7	Confident	54 Å²	54	52.2 Å²	52.2	21%	0.212	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-46.5	174.9	-171.9	-100.9	0	0	0	112.3	I516 R557 E558 A559 F563 L564 M565 L598 E672	I516-Y561 HydrophobicContact CD1-CD2 4.23Å; R557-Y561 PolarHBondContact O-N 3Å; E558-Y561 WeakPolarHBondContact O-CB 3.07Å; E558-Y561 PolarHBondContact O-N 2.92Å; A559-Y561 VanDerWaalsContact C-N 3.27Å; A559-Y561 PolarHBondContact O-N 3.49Å; Y561-F563 VanDerWaalsContact C-N 3.34Å; Y561-F563 PolarHBondContact O-N 3.2Å; Y561-L564 PolarHBondContact O-N 3.42Å; Y561-M565 HydrophobicContact CD1-CG 4.23Å; Y561-M565 HydrophobicContact CE1-CG 3.95Å; Y561-M565 WeakPolarHBondContact O-CG 3.39Å; Y561-M565 PolarHBondContact O-N 3.44Å; Y561-L598 HydrophobicContact CD2-CD1 4.44Å; Y561-L598 HydrophobicContact CE2-CD1 3.79Å; Y561-E672 PolarHBondContact OH-OE1 3.46Å
562	A	64.9	Low	74.5	Confident	34 Å²	34	52.9 Å²	52.9	28%	0.281	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-47.1	176.1	0	0	0	0	0	111.2	E558 A559 L564 M565 S566 D571	E558-A562 WeakPolarHBondContact O-CB 3.38Å; E558-A562 PolarHBondContact O-N 3.22Å; A559-A562 PolarHBondContact O-N 3.18Å; A562-L564 VanDerWaalsContact C-N 3.34Å; A562-L564 PolarHBondContact O-N 3.37Å; A562-M565 PolarHBondContact O-N 3.43Å; A562-S566 WeakPolarHBondContact O-CB 3.36Å; A562-S566 PolarHBondContact O-N 2.81Å; A562-S566 PolarHBondContact O-OG 3.17Å; A562-D571 HydrophobicContact CB-CB 4.15Å
563	F	74.9	Confident	74.3	Confident	9 Å²	9	53.9 Å²	53.9	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-42.5	175.6	177.1	-125.2	0	0	0	112.2	Y487 V539 V541 V552 A559 Y561 M565 R567 G568 D571 T572	Y487-F563 HydrophobicContact CD1-CZ 4.21Å; V539-F563 HydrophobicContact CB-CD1 3.77Å; V539-F563 HydrophobicContact CB-CE1 4.02Å; V539-F563 HydrophobicContact CG1-CD1 4.16Å; V539-F563 HydrophobicContact CG1-CE1 4.23Å; V539-F563 HydrophobicContact CG2-CD1 3.79Å; V541-F563 HydrophobicContact CG1-CE1 3.96Å; V541-F563 HydrophobicContact CG1-CZ 4.37Å; V552-F563 HydrophobicContact CB-CE1 3.91Å; V552-F563 HydrophobicContact CG1-CD1 4.37Å; V552-F563 HydrophobicContact CG1-CE1 3.77Å; V552-F563 HydrophobicContact CG1-CZ 4.09Å; V552-F563 HydrophobicContact CG2-CE1 4.14Å; V552-F563 HydrophobicContact CG2-CZ 4.45Å; A559-F563 WeakPolarHBondContact O-CB 3.27Å; A559-F563 PolarHBondContact O-N 3.12Å; Y561-F563 VanDerWaalsContact C-N 3.34Å; Y561-F563 PolarHBondContact O-N 3.2Å; F563-M565 VanDerWaalsContact C-N 3.27Å; F563-M565 PolarHBondContact O-N 3.04Å; F563-R567 WeakPolarHBondContact O-CA 3.08Å; F563-R567 PolarHBondContact O-N 3.27Å; F563-G568 WeakPolarHBondContact CD2-O 3.36Å; F563-D571 HydrophobicContact CB-CB 3.89Å; F563-T572 HydrophobicContact CB-CG2 4.22Å; F563-T572 HydrophobicContact CD1-CG2 3.84Å; F563-T572 HydrophobicContact CD2-CG2 3.4Å; F563-T572 VanDerWaalsContact CD2-CG2 3.4Å; F563-T572 HydrophobicContact CE1-CG2 4.03Å; F563-T572 HydrophobicContact CE2-CG2 3.59Å; F563-T572 HydrophobicContact CG-CG2 3.54Å; F563-T572 HydrophobicContact CZ-CG2 3.9Å
564	L	66.8	Low	73.9	Confident	22 Å²	22	56.6 Å²	56.6	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-32.2	-180	-172.3	140.9	0	0	0	112.3	P514 I516 V539 A560 Y561 A562 L598	P514-L564 HydrophobicContact CB-CD1 4.11Å; P514-L564 HydrophobicContact CB-CG 4.46Å; P514-L564 HydrophobicContact CG-CD1 4.25Å; P514-L564 HydrophobicContact CG-CG 4.2Å; I516-L564 HydrophobicContact CG1-CD1 4.14Å; V539-L564 HydrophobicContact CG1-CD1 3.99Å; V539-L564 HydrophobicContact CG2-CB 4.49Å; A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.42Å; A560-L564 PolarHBondContact O-N 3.41Å; Y561-L564 PolarHBondContact O-N 3.42Å; A562-L564 VanDerWaalsContact C-N 3.34Å; A562-L564 PolarHBondContact O-N 3.37Å; L564-L598 HydrophobicContact CD2-CB 4.48Å; L564-L598 HydrophobicContact CD2-CD1 3.06Å; L564-L598 HydrophobicContact CD2-CG 4.36Å
565	M	59.5	Low	73.6	Confident	110 Å²	110	56.6 Å²	56.6	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-80.7	-46.5	176.8	-68	-61	-68.7	0	0	113.4	Y561 A562 F563 L598	Y561-M565 HydrophobicContact CD1-CG 4.23Å; Y561-M565 HydrophobicContact CE1-CG 3.95Å; Y561-M565 WeakPolarHBondContact O-CG 3.39Å; Y561-M565 PolarHBondContact O-N 3.44Å; A562-M565 PolarHBondContact O-N 3.43Å; F563-M565 VanDerWaalsContact C-N 3.27Å; F563-M565 PolarHBondContact O-N 3.04Å; M565-L598 HydrophobicContact CE-CD2 4.5Å; M565-L598 HydrophobicContact SD-CD1 3.59Å; M565-L598 VanDerWaalsContact SD-CD1 3.59Å; M565-L598 HydrophobicContact SD-CD2 3.74Å; M565-L598 HydrophobicContact SD-CG 4.31Å
566	S	67.6	Low	73.4	Confident	68 Å²	68	59.8 Å²	59.8	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-86.6	-25.1	-173.2	72	0	0	0	0	112.6	A562 G568 D571	A562-S566 WeakPolarHBondContact O-CB 3.36Å; A562-S566 PolarHBondContact O-N 2.81Å; A562-S566 PolarHBondContact O-OG 3.17Å; S566-G568 PolarHBondContact O-N 3.25Å; S566-G568 VanDerWaalsContact O-N 3.12Å; S566-G568 WeakPolarHBondContact OG-CA 3.28Å; S566-G568 PolarHBondContact OG-N 3.11Å; S566-D571 PolarHBondContact OG-OD2 3.44Å
567	R	68.2	Low	73.3	Confident	183 Å²	183	58.7 Å²	58.7	69%	0.691	30%	0.3	S	S	*	.			trans	50	20.5	-159.6	-61.9	-166	177.3	-153.4	1	113.2	F563	F563-R567 WeakPolarHBondContact O-CA 3.08Å; F563-R567 PolarHBondContact O-N 3.27Å
568	G	73.2	Confident	73.7	Confident	20 Å²	20	60 Å²	60	21%	0.206	31%	0.309	C	S	.	.			trans	-81.8	122.8	-177.6	0	0	0	0	0	111.4	F563 S566 T570 D571	F563-G568 WeakPolarHBondContact CD2-O 3.36Å; S566-G568 PolarHBondContact O-N 3.25Å; S566-G568 VanDerWaalsContact O-N 3.12Å; S566-G568 WeakPolarHBondContact OG-CA 3.28Å; S566-G568 PolarHBondContact OG-N 3.11Å; G568-T570 PolarHBondContact O-N 3.35Å; G568-D571 PolarHBondContact O-N 3.2Å
569	E	70.1	Confident	74	Confident	92 Å²	92	54.9 Å²	54.9	43%	0.43	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.1	-180	-66.5	160.6	-151	0	0	113.3	P486 D571 T572	P486-E569 HydrophobicContact CB-CG 4.43Å; P486-E569 WeakPolarHBondContact CB-OE1 3.42Å; E569-D571 PolarHBondContact O-N 3.37Å; E569-D571 VanDerWaalsContact O-N 3.15Å; E569-T572 PolarHBondContact O-N 3.41Å; E569-T572 PolarHBondContact O-OG1 3.03Å
570	T	76	Confident	74.1	Confident	126 Å²	126	60.3 Å²	60.3	77%	0.773	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.6	-22.5	179.4	51.3	0	0	0	0	113.9	G568 T572	G568-T570 PolarHBondContact O-N 3.35Å; T570-T572 VanDerWaalsContact C-N 3.34Å
571	D	75	Confident	74.4	Confident	48 Å²	48	66.7 Å²	66.7	26%	0.257	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-92.3	0	-178.6	-57	-35.6	0	0	0	112.2	A562 F563 S566 G568 E569	A562-D571 HydrophobicContact CB-CB 4.15Å; F563-D571 HydrophobicContact CB-CB 3.89Å; S566-D571 PolarHBondContact OG-OD2 3.44Å; G568-D571 PolarHBondContact O-N 3.2Å; E569-D571 PolarHBondContact O-N 3.37Å; E569-D571 VanDerWaalsContact O-N 3.15Å
572	T	84.5	Confident	74.8	Confident	14 Å²	14	64.6 Å²	64.6	9%	0.086	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-105.1	156.1	-179	71.3	0	0	0	0	111.8	V552 F563 E569 T570	V552-T572 HydrophobicContact CG1-CG2 3.56Å; F563-T572 HydrophobicContact CB-CG2 4.22Å; F563-T572 HydrophobicContact CD1-CG2 3.84Å; F563-T572 HydrophobicContact CD2-CG2 3.4Å; F563-T572 VanDerWaalsContact CD2-CG2 3.4Å; F563-T572 HydrophobicContact CE1-CG2 4.03Å; F563-T572 HydrophobicContact CE2-CG2 3.59Å; F563-T572 HydrophobicContact CG-CG2 3.54Å; F563-T572 HydrophobicContact CZ-CG2 3.9Å; E569-T572 PolarHBondContact O-N 3.41Å; E569-T572 PolarHBondContact O-OG1 3.03Å; T570-T572 VanDerWaalsContact C-N 3.34Å
573	L	85.7	Confident	75.3	Confident	22 Å²	22	64.9 Å²	64.9	12%	0.115	33%	0.332	C	S	.	.			trans	-83.9	127.6	170.7	-64.3	174.4	0	0	0	109.4	L525 L527 V535 P553 A555	L525-L573 HydrophobicContact CD1-CB 3.89Å; L525-L573 HydrophobicContact CD2-CB 4.14Å; L527-L573 HydrophobicContact CD2-CD2 4.14Å; V535-L573 HydrophobicContact CG2-CD1 4.06Å; P553-L573 HydrophobicContact CB-CB 4.22Å; P553-L573 HydrophobicContact CB-CD1 4.5Å; P553-L573 HydrophobicContact CG-CB 4.18Å; P553-L573 WeakPolarHBondContact CG-O 3.29Å; P553-L573 PolarHBondContact O-N 2.88Å; A555-L573 HydrophobicContact CB-CD2 3.86Å; A555-L573 HydrophobicContact CB-CG 4.29Å
574	I	85.2	Confident	75.5	Confident	56 Å²	56	67.2 Å²	67.2	29%	0.287	35%	0.349	S	S	.	.			trans	-110.9	118.6	-178	-58.8	175.7	0	0	0	109.7	P479 S488 Q576	P479-I574 HydrophobicContact CG-CG2 3.76Å; S488-I574 WeakPolarHBondContact OG-CA 3.24Å; I574-Q576 HydrophobicContact CG2-CG 4.46Å
575	S	81.5	Confident	75.8	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.007	35%	0.352	C	S	.	.			trans	-86.5	138.8	166	-165.7	0	0	0	0	110.7	K478 P479 S488 K526 V577	K478-S575 WeakPolarHBondContact CA-O 3.25Å; K478-S575 VanDerWaalsContact CB-O 3.29Å; K478-S575 WeakPolarHBondContact CB-O 3.16Å; P479-S575 WeakPolarHBondContact CD-O 3.17Å; S488-S575 PolarHBondContact OG-N 3.23Å; K526-S575 PolarHBondContact O-OG 3.39Å; S575-V577 PolarHBondContact OG-N 3.05Å
576	Q	78.9	Confident	76	Confident	139 Å²	139	65 Å²	65	65%	0.65	35%	0.35	S	S	*	.			trans	-114.1	14.1	173.4	-65	-167.5	-4.8	0	0	112.5	P528 I574	P528-Q576 HydrophobicContact CG-CG 4.39Å; I574-Q576 HydrophobicContact CG2-CG 4.46Å
577	V	79.5	Confident	75.9	Confident	16 Å²	16	65.4 Å²	65.4	10%	0.097	35%	0.352	C	S	.	.			trans	-95	143.7	-169.6	-174.9	0	0	0	0	110	K526 S575 E581	K526-V577 HydrophobicContact CB-CG2 3.92Å; K526-V577 HydrophobicContact CD-CG1 4.45Å; K526-V577 HydrophobicContact CD-CG2 3.96Å; K526-V577 HydrophobicContact CG-CG2 3.92Å; S575-V577 PolarHBondContact OG-N 3.05Å; V577-E581 HydrophobicContact CG1-CB 3.3Å
578	E	79.1	Confident	75.9	Confident	94 Å²	94	59.5 Å²	59.5	44%	0.439	34%	0.342	S	S	.	.			trans	-69.2	152.4	174.6	-67.1	-62.9	167.2	0	0	110.9	K478 Q580 E581 A582	K478-E578 IonicContact NZ-OE1 3.58Å; K478-E578 PolarHBondContact NZ-OE1 2.91Å; K478-E578 IonicContact NZ-OE2 3.87Å; K478-E578 PolarHBondContact NZ-OE2 3.14Å; E578-Q580 PolarHBondContact O-N 2.98Å; E578-E581 PolarHBondContact O-N 3.21Å; E578-A582 PolarHBondContact O-N 2.79Å; E578-A582 VanDerWaalsContact O-N 3.17Å
579	P	75.2	Confident	76.2	Confident	26 Å²	26	58.5 Å²	58.5	17%	0.169	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.1	-176.5	-26.6	32.5	0	0	0	114.5	F475 F493 I500 E581 A582	F475-P579 HydrophobicContact CD2-CB 4.39Å; F475-P579 HydrophobicContact CE2-CB 3.72Å; F475-P579 HydrophobicContact CE2-CG 3.93Å; F475-P579 HydrophobicContact CZ-CB 3.88Å; F475-P579 HydrophobicContact CZ-CG 4.05Å; F493-P579 HydrophobicContact CD2-CB 3.72Å; F493-P579 HydrophobicContact CE2-CB 3.75Å; F493-P579 HydrophobicContact CG-CB 4.18Å; F493-P579 HydrophobicContact CZ-CB 4.25Å; I500-P579 HydrophobicContact CD1-CG 3.84Å; P579-E581 VanDerWaalsContact C-N 3.31Å; P579-E581 PolarHBondContact O-N 3.18Å; P579-A582 PolarHBondContact O-N 2.79Å
580	Q	76.4	Confident	76.7	Confident	133 Å²	133	54.4 Å²	54.4	62%	0.621	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.7	-179.4	-65.4	164.4	-5.2	0	0	113.5	F493 D498 E578	F493-Q580 HydrophobicContact CZ-CG 3.88Å; D498-Q580 PolarHBondContact OD1-NE2 2.87Å; D498-Q580 PolarHBondContact OD2-NE2 2.85Å; E578-Q580 PolarHBondContact O-N 2.98Å
581	E	74.6	Confident	76.9	Confident	133 Å²	133	48.4 Å²	48.4	62%	0.621	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-9	-178.2	-69.1	-179.9	-175.7	0	0	112.5	V577 E578 P579	V577-E581 HydrophobicContact CG1-CB 3.3Å; E578-E581 PolarHBondContact O-N 3.21Å; P579-E581 VanDerWaalsContact C-N 3.31Å; P579-E581 PolarHBondContact O-N 3.18Å
582	A	73.6	Confident	76.9	Confident	10 Å²	10	46.6 Å²	46.6	8%	0.083	27%	0.267	C	S	.	.	S	Bend	trans	-73.9	137	-178.4	0	0	0	0	0	111.3	F475 E578 P579 S584	F475-A582 HydrophobicContact CB-CB 4.1Å; F475-A582 HydrophobicContact CD2-CB 3.78Å; F475-A582 HydrophobicContact CG-CB 4.39Å; E578-A582 PolarHBondContact O-N 2.79Å; E578-A582 VanDerWaalsContact O-N 3.17Å; P579-A582 PolarHBondContact O-N 2.79Å; A582-S584 PolarHBondContact O-N 3.23Å
583	P	75.9	Confident	76	Confident	41 Å²	41	46.8 Å²	46.8	27%	0.266	27%	0.267	S	S	.	.			trans	-56.7	127.7	169.2	-19.1	30.1	0	0	0	109.5	Q524 K526	Q524-P583 HydrophobicContact CB-CB 4.14Å; Q524-P583 HydrophobicContact CB-CG 4.34Å; Q524-P583 WeakPolarHBondContact O-CB 3.46Å; Q524-P583 WeakPolarHBondContact O-CG 3.2Å; K526-P583 HydrophobicContact CB-CG 4.21Å
584	S	77.9	Confident	74.9	Confident	57 Å²	57	47.7 Å²	47.7	40%	0.399	27%	0.27	S	S	.	.			trans	-123.2	147.8	-175.8	62.4	0	0	0	0	111.8	L474 A582	L474-S584 VanDerWaalsContact O-CA 3.24Å; L474-S584 WeakPolarHBondContact O-CA 3.48Å; A582-S584 PolarHBondContact O-N 3.23Å
585	C	73.7	Confident	73.1	Confident	25 Å²	25	49.5 Å²	49.5	17%	0.169	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-126.3	129.7	-177.4	-170.8	0	0	0	0	110.4	L474 P523 C587	L474-C585 PolarHBondContact N-O 3.04Å; L474-C585 PolarHBondContact O-N 3.03Å; P523-C585 HydrophobicContact CB-CB 4.11Å; C585-C587 VanDerWaalsContact SG-CB 3.5Å; C585-C587 PolarHBondContact SG-N 3.37Å
586	A	63.8	Low	71.3	Confident	62 Å²	62	50.9 Å²	50.9	51%	0.512	28%	0.281	S	S	.	.			trans	-91.3	-8.6	174.4	0	0	0	0	0	113.1	R463	R463-A586 PolarHBondContact NH2-O 3.25Å; R463-A586 VanDerWaalsContact NH2-O 3.08Å
587	C	66.1	Low	69.5	Low	75 Å²	75	46.9 Å²	46.9	51%	0.507	26%	0.262	S	S	.	.	S	Bend	trans	-68	154.4	179	-59.6	0	0	0	0	110.8	N521 C585 I589	N521-C587 HydrophobicContact CB-CB 4.46Å; C585-C587 VanDerWaalsContact SG-CB 3.5Å; C585-C587 PolarHBondContact SG-N 3.37Å; C587-I589 PolarHBondContact O-N 3.14Å
588	A	68.7	Low	67.7	Low	59 Å²	59	49.6 Å²	49.6	49%	0.488	28%	0.276	S	S	.	.			trans	-67.9	102.8	172.2	0	0	0	0	0	109	V460 S590	V460-A588 HydrophobicContact CG1-CB 3.92Å; A588-S590 PolarHBondContact O-N 2.78Å
589	I	78.1	Confident	66	Low	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.			trans	-66.1	130.5	168.3	-59.8	179.9	0	0	0	107.3	V461 L474 L490 W505 N521 P523 C587	V461-I589 HydrophobicContact CG2-CB 4.03Å; V461-I589 HydrophobicContact CG2-CG2 4.45Å; V461-I589 PolarHBondContact N-O 3.44Å; V461-I589 VanDerWaalsContact N-O 3.1Å; L474-I589 HydrophobicContact CB-CD1 3.56Å; L474-I589 HydrophobicContact CD1-CB 4.13Å; L474-I589 HydrophobicContact CD1-CD1 3.38Å; L474-I589 HydrophobicContact CD1-CG1 3.6Å; L474-I589 HydrophobicContact CD2-CD1 4.29Å; L474-I589 HydrophobicContact CG-CD1 3.88Å; L490-I589 HydrophobicContact CD1-CD1 4.01Å; L490-I589 HydrophobicContact CD2-CD1 4.05Å; W505-I589 HydrophobicContact CH2-CG2 4.35Å; N521-I589 WeakPolarHBondContact O-CG1 3.42Å; P523-I589 HydrophobicContact CG-CD1 4.36Å; C587-I589 PolarHBondContact O-N 3.14Å
590	S	80.5	Confident	64.2	Low	6 Å²	6	49.5 Å²	49.5	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.1	168.8	65.5	0	0	0	0	110.6	E458 H459 R520 A588	E458-S590 WeakPolarHBondContact OE1-CB 3.5Å; E458-S590 PolarHBondContact OE1-OG 3.06Å; H459-S590 CarbonylContact O-C 3.5Å; H459-S590 VanDerWaalsContact O-CA 3.26Å; H459-S590 WeakPolarHBondContact O-CA 3.42Å; R520-S590 WeakPolarHBondContact CB-OG 3.25Å; R520-S590 PolarHBondContact N-O 3.02Å; R520-S590 PolarHBondContact O-N 2.6Å; R520-S590 VanDerWaalsContact O-N 3.15Å; A588-S590 PolarHBondContact O-N 2.78Å
591	M	80.9	Confident	62.4	Low	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.5	170.8	71.3	160.5	74.7	0	0	110.2	H459 W505 L509 V517 E518 L519 V540 V551	H459-M591 HydrophobicContact CB-CG 3.73Å; H459-M591 PolarHBondContact N-O 3.23Å; H459-M591 PolarHBondContact O-N 3.41Å; W505-M591 HydrophobicContact CD2-CE 3.77Å; W505-M591 HydrophobicContact CE3-CE 3.68Å; W505-M591 HydrophobicContact CE3-CG 3.97Å; W505-M591 HydrophobicContact CE3-SD 4.39Å; W505-M591 HydrophobicContact CH2-CE 3.18Å; W505-M591 HydrophobicContact CH2-CG 4.36Å; W505-M591 HydrophobicContact CZ2-CE 3.27Å; W505-M591 HydrophobicContact CZ3-CB 4.11Å; W505-M591 HydrophobicContact CZ3-CE 3.39Å; W505-M591 HydrophobicContact CZ3-CG 3.7Å; W505-M591 HydrophobicContact CZ3-SD 4.31Å; L509-M591 HydrophobicContact CD1-CE 4.3Å; L509-M591 HydrophobicContact CD2-CE 4.22Å; L509-M591 HydrophobicContact CD2-SD 3.6Å; L509-M591 VanDerWaalsContact CD2-SD 3.6Å; V517-M591 HydrophobicContact CB-CB 4.3Å; V517-M591 HydrophobicContact CB-SD 4.03Å; V517-M591 HydrophobicContact CG1-SD 3.68Å; V517-M591 HydrophobicContact CG2-CB 4.41Å; V517-M591 HydrophobicContact CG2-CE 4.4Å; V517-M591 HydrophobicContact CG2-SD 4.11Å; E518-M591 CarbonylContact O-C 3.59Å; E518-M591 VanDerWaalsContact O-CA 3.32Å; E518-M591 WeakPolarHBondContact O-CA 3.46Å; L519-M591 HydrophobicContact CD2-CB 3.7Å; V540-M591 HydrophobicContact CG2-CE 4.09Å; V540-M591 HydrophobicContact CG2-SD 4.11Å; V551-M591 HydrophobicContact CG1-CE 4.45Å; V551-M591 HydrophobicContact CG2-CE 3.51Å
592	L	74.3	Confident	60.4	Low	10 Å²	10	38.9 Å²	38.9	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.2	168.3	-65.5	174.7	0	0	0	108.4	L456 E458 V517 E518 R520 K594	L456-L592 HydrophobicContact CB-CD2 3.98Å; E458-L592 HydrophobicContact CB-CD2 3.85Å; E458-L592 HydrophobicContact CG-CD2 4.14Å; V517-L592 WeakPolarHBondContact CA-O 3.36Å; E518-L592 HydrophobicContact CB-CB 4.44Å; E518-L592 PolarHBondContact N-O 3.22Å; E518-L592 PolarHBondContact O-N 3.05Å; R520-L592 VanDerWaalsContact CZ-CD1 3.42Å; R520-L592 VanDerWaalsContact NH2-CD1 3.34Å; L592-K594 PolarHBondContact O-N 3.49Å
593	I	65.9	Low	58.5	Low	18 Å²	18	39.5 Å²	39.5	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	107.2	175.6	-59.4	-176.1	0	0	0	108.5	H459 L509 P510 Y515 V517 R595	H459-I593 WeakPolarHBondContact NE2-CD1 3.23Å; L509-I593 HydrophobicContact CD2-CD1 4.44Å; P510-I593 HydrophobicContact CG-CD1 3.6Å; Y515-I593 HydrophobicContact CD2-CG1 4.46Å; Y515-I593 HydrophobicContact CD2-CG2 3.75Å; Y515-I593 HydrophobicContact CE2-CB 4.5Å; Y515-I593 HydrophobicContact CE2-CD1 3.79Å; Y515-I593 HydrophobicContact CE2-CG1 3.87Å; Y515-I593 HydrophobicContact CE2-CG2 3.96Å; V517-I593 HydrophobicContact CG1-CG1 4.28Å; I593-R595 VanDerWaalsContact C-N 3.28Å; I593-R595 HydrophobicContact CG2-CB 3.98Å; I593-R595 HydrophobicContact CG2-CG 3.83Å; I593-R595 PolarHBondContact O-N 3.35Å
594	K	62.2	Low	56.6	Low	40 Å²	40	41.6 Å²	41.6	17%	0.174	25%	0.254	C	S	.	.			trans	-90.1	75.8	170.4	-64.5	-69	-176.1	168.1	0	106.9	L456 I516 E518 W537 L592 L596	L456-K594 HydrophobicContact CD1-CD 4.45Å; I516-K594 CarbonylContact O-C 3.49Å; I516-K594 PolarHBondContact O-N 3.24Å; I516-K594 VanDerWaalsContact O-N 3.1Å; I516-K594 VanDerWaalsContact O-O 3.13Å; E518-K594 HydrophobicContact CB-CG 4.05Å; E518-K594 WeakPolarHBondContact OE2-CE 3.21Å; E518-K594 IonicContact OE2-NZ 3.05Å; E518-K594 PolarHBondContact OE2-NZ 2.8Å; W537-K594 HydrophobicContact CH2-CG 4.2Å; W537-K594 HydrophobicContact CZ3-CB 4.29Å; W537-K594 HydrophobicContact CZ3-CG 3.89Å; L592-K594 PolarHBondContact O-N 3.49Å; K594-L596 PolarHBondContact O-N 3.33Å
595	R	48	Very low	54.8	Low	94 Å²	94	45 Å²	45	36%	0.355	27%	0.273	S	S	.	.			trans	-66.3	101.5	-174.9	-127.2	180	-169.1	-176.3	1	110.2	I593	I593-R595 VanDerWaalsContact C-N 3.28Å; I593-R595 HydrophobicContact CG2-CB 3.98Å; I593-R595 HydrophobicContact CG2-CG 3.83Å; I593-R595 PolarHBondContact O-N 3.35Å
596	L	44.1	Very low	53.5	Low	31 Å²	31	46.1 Å²	46.1	16%	0.162	28%	0.279	C	S	.	.			trans	-91.5	95.8	147.5	-82.8	146	0	0	0	104.7	I516 K594 L598 W673	I516-L596 HydrophobicContact CD1-CD1 4.27Å; K594-L596 PolarHBondContact O-N 3.33Å; L596-L598 VanDerWaalsContact C-N 3.3Å; L596-L598 PolarHBondContact O-N 3.3Å; L596-W673 WeakPolarHBondContact CD2-O 3.47Å
597	H	41.4	Very low	52.8	Low	54 Å²	54	45.5 Å²	45.5	25%	0.25	27%	0.274	C	S	.	.			trans	-66.2	104.6	160	-87.5	-57.1	0	0	0	105.9	F599	H597-F599 HydrophobicContact CB-CD1 4.33Å; H597-F599 HydrophobicContact CB-CD2 3.7Å; H597-F599 HydrophobicContact CB-CE1 3.86Å; H597-F599 HydrophobicContact CB-CE2 3.08Å; H597-F599 HydrophobicContact CB-CG 4.28Å; H597-F599 HydrophobicContact CB-CZ 3.21Å; H597-F599 AromaticContact CD2-CZ 3.52Å; H597-F599 AromaticContact CG-CE2 3.95Å; H597-F599 AromaticContact CG-CZ 3.54Å; H597-F599 VanDerWaalsContact O-CD2 3.26Å; H597-F599 WeakPolarHBondContact O-CD2 3.44Å; H597-F599 PolarHBondContact O-N 3.28Å
598	L	41	Very low	52.1	Low	74 Å²	74	42.2 Å²	42.2	39%	0.387	25%	0.252	S	S	.	.			trans	-72.8	89.1	163.1	-97.8	146.7	0	0	0	106.1	Y561 L564 M565 L596 D600	Y561-L598 HydrophobicContact CD2-CD1 4.44Å; Y561-L598 HydrophobicContact CE2-CD1 3.79Å; L564-L598 HydrophobicContact CD2-CB 4.48Å; L564-L598 HydrophobicContact CD2-CD1 3.06Å; L564-L598 HydrophobicContact CD2-CG 4.36Å; M565-L598 HydrophobicContact CE-CD2 4.5Å; M565-L598 HydrophobicContact SD-CD1 3.59Å; M565-L598 VanDerWaalsContact SD-CD1 3.59Å; M565-L598 HydrophobicContact SD-CD2 3.74Å; M565-L598 HydrophobicContact SD-CG 4.31Å; L596-L598 VanDerWaalsContact C-N 3.3Å; L596-L598 PolarHBondContact O-N 3.3Å; L598-D600 PolarHBondContact O-N 2.68Å
599	F	42.8	Very low	51.4	Low	23 Å²	23	40.9 Å²	40.9	10%	0.101	24%	0.237	C	C	.	.			trans	-74.3	123	167.2	-58.5	-79.1	0	0	0	107.8	H597 I601 L644 N646 D647 A650 F654	H597-F599 HydrophobicContact CB-CD1 4.33Å; H597-F599 HydrophobicContact CB-CD2 3.7Å; H597-F599 HydrophobicContact CB-CE1 3.86Å; H597-F599 HydrophobicContact CB-CE2 3.08Å; H597-F599 HydrophobicContact CB-CG 4.28Å; H597-F599 HydrophobicContact CB-CZ 3.21Å; H597-F599 AromaticContact CD2-CZ 3.52Å; H597-F599 AromaticContact CG-CE2 3.95Å; H597-F599 AromaticContact CG-CZ 3.54Å; H597-F599 VanDerWaalsContact O-CD2 3.26Å; H597-F599 WeakPolarHBondContact O-CD2 3.44Å; H597-F599 PolarHBondContact O-N 3.28Å; F599-I601 PolarHBondContact O-N 2.86Å; F599-L644 HydrophobicContact CD2-CD2 3.85Å; F599-L644 HydrophobicContact CD2-CG 4.31Å; F599-L644 HydrophobicContact CE1-CG 4.33Å; F599-L644 HydrophobicContact CE2-CD1 4.5Å; F599-L644 HydrophobicContact CE2-CD2 3.03Å; F599-L644 HydrophobicContact CE2-CG 3.48Å; F599-L644 VanDerWaalsContact CE2-CG 3.48Å; F599-L644 HydrophobicContact CZ-CB 4.25Å; F599-L644 HydrophobicContact CZ-CD2 3.55Å; F599-L644 HydrophobicContact CZ-CG 3.46Å; F599-L644 VanDerWaalsContact CZ-CG 3.46Å; F599-L644 WeakPolarHBondContact CZ-O 3.34Å; F599-N646 WeakPolarHBondContact CD1-O 3.39Å; F599-N646 VanDerWaalsContact CE1-C 3.48Å; F599-N646 WeakPolarHBondContact CE1-O 3.16Å; F599-D647 WeakPolarHBondContact CA-OD1 3.25Å; F599-A650 HydrophobicContact CB-CB 3.12Å; F599-A650 HydrophobicContact CD1-CB 3.36Å; F599-A650 HydrophobicContact CD2-CB 3.48Å; F599-A650 VanDerWaalsContact CD2-CB 3.48Å; F599-A650 HydrophobicContact CE1-CB 4.04Å; F599-A650 HydrophobicContact CE2-CB 4.17Å; F599-A650 HydrophobicContact CG-CB 3Å; F599-A650 HydrophobicContact CZ-CB 4.4Å; F599-F654 HydrophobicContact CD2-CE2 4.36Å
600	D	37.8	Very low	50	Low	94 Å²	94	45.6 Å²	45.6	50%	0.503	26%	0.262	S	S	.	.			trans	-78.3	82.3	172.6	-169.5	6	0	0	0	109.2	L598 G602 G603 D647	L598-D600 PolarHBondContact O-N 2.68Å; D600-G602 PolarHBondContact O-N 2.77Å; D600-G602 VanDerWaalsContact O-N 3.14Å; D600-G602 WeakPolarHBondContact OD1-CA 3.12Å; D600-G602 PolarHBondContact OD1-N 2.7Å; D600-G603 PolarHBondContact O-N 2.81Å; D600-G603 PolarHBondContact OD1-N 3.32Å; D600-D647 PolarHBondContact N-OD1 3.28Å
601	I	38.3	Very low	48.9	Very low	27 Å²	27	50.5 Å²	50.5	14%	0.138	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.6	170.1	-30.8	162.6	0	0	0	110.1	F599 V651 F654 F658	F599-I601 PolarHBondContact O-N 2.86Å; I601-V651 HydrophobicContact CG2-CG2 4.1Å; I601-F654 HydrophobicContact CD1-CB 3.52Å; I601-F654 HydrophobicContact CD1-CD2 3.88Å; I601-F654 HydrophobicContact CD1-CG 3.89Å; I601-F654 HydrophobicContact CG1-CB 4.27Å; I601-F654 HydrophobicContact CG1-CD2 4.3Å; I601-F654 HydrophobicContact CG2-CB 4.32Å; I601-F658 HydrophobicContact CG2-CB 4.37Å; I601-F658 HydrophobicContact CG2-CD2 4.35Å; I601-F658 WeakPolarHBondContact O-CD2 3.24Å; I601-F658 WeakPolarHBondContact O-CE2 3.49Å
602	G	33.4	Very low	47.9	Very low	17 Å²	17	51.9 Å²	51.9	18%	0.175	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25	-178.7	0	0	0	0	0	114.9	D600 S604	D600-G602 PolarHBondContact O-N 2.77Å; D600-G602 VanDerWaalsContact O-N 3.14Å; D600-G602 WeakPolarHBondContact OD1-CA 3.12Å; D600-G602 PolarHBondContact OD1-N 2.7Å; G602-S604 PolarHBondContact O-N 3.39Å
603	G	33.3	Very low	46.6	Very low	23 Å²	23	52.6 Å²	52.6	24%	0.237	30%	0.299	C	S	.	.			trans	-68.8	98.7	-178.6	0	0	0	0	0	111.2	D600 T605 T606	D600-G603 PolarHBondContact O-N 2.81Å; D600-G603 PolarHBondContact OD1-N 3.32Å; G603-T605 PolarHBondContact O-N 3.31Å; G603-T606 PolarHBondContact O-N 2.69Å
604	S	36.8	Very low	45.4	Very low	84 Å²	84	54.3 Å²	54.3	59%	0.587	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-10.5	-167.3	74.1	0	0	0	0	117.1	G602	G602-S604 PolarHBondContact O-N 3.39Å
605	T	40.3	Very low	44.8	Very low	129 Å²	129	56.4 Å²	56.4	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-13.2	-173.9	53.1	0	0	0	0	114.2	G603 A607	G603-T605 PolarHBondContact O-N 3.31Å; T605-A607 PolarHBondContact O-N 3.46Å
606	T	46.9	Very low	44.6	Very low	48 Å²	48	56.7 Å²	56.7	29%	0.294	33%	0.329	S	S	.	.			trans	-82.5	103.8	-177.7	-49.2	0	0	0	0	109.8	G603 D647	G603-T606 PolarHBondContact O-N 2.69Å; T606-D647 HydrophobicContact CG2-CB 3.97Å
607	A	48.6	Very low	44.9	Very low	50 Å²	50	56.8 Å²	56.8	41%	0.413	33%	0.327	S	S	.	.			trans	-62.9	145.6	172.8	0	0	0	0	0	110.1	T605 S648	T605-A607 PolarHBondContact O-N 3.46Å; A607-S648 VanDerWaalsContact O-CB 3.29Å; A607-S648 WeakPolarHBondContact O-CB 3.18Å; A607-S648 PolarHBondContact O-OG 3.47Å
608	P	50.1	Low	44.9	Very low	6 Å²	6	55.1 Å²	55.1	4%	0.039	32%	0.321	C	S	.	.			trans	-74.8	151.5	-179.8	30.7	-38.4	0	0	0	112.1	L610 S648 V651 A652 Q655 T720	P608-L610 PolarHBondContact O-N 2.85Å; P608-S648 WeakPolarHBondContact CA-O 3.15Å; P608-V651 HydrophobicContact CB-CB 4.3Å; P608-V651 HydrophobicContact CB-CG1 3.93Å; P608-A652 HydrophobicContact CB-CB 3.99Å; P608-Q655 VanDerWaalsContact CG-OE1 3.28Å; P608-T720 WeakPolarHBondContact CD-O 3.23Å; P608-T720 VanDerWaalsContact CG-O 3.25Å; P608-T720 WeakPolarHBondContact CG-O 3.06Å
609	T	55.7	Low	45.1	Very low	30 Å²	30	55.5 Å²	55.5	18%	0.184	32%	0.32	C	S	.	.			trans	-68.9	100.2	174	-53.2	0	0	0	0	109.4	N611 K612 C613 S648 D649	T609-N611 WeakPolarHBondContact CG2-OD1 3.22Å; T609-N611 PolarHBondContact O-N 2.74Å; T609-K612 HydrophobicContact CG2-CB 4.47Å; T609-K612 HydrophobicContact CG2-CD 4.31Å; T609-K612 HydrophobicContact CG2-CG 4.03Å; T609-K612 PolarHBondContact O-N 3.45Å; T609-C613 PolarHBondContact O-N 2.91Å; T609-C613 PolarHBondContact O-SG 3.01Å; T609-S648 PolarHBondContact N-O 2.72Å; T609-S648 PolarHBondContact N-OG 2.9Å; T609-S648 VanDerWaalsContact OG1-C 3.3Å; T609-S648 WeakPolarHBondContact OG1-CB 2.97Å; T609-S648 PolarHBondContact OG1-OG 3.08Å; T609-D649 WeakPolarHBondContact CB-OD1 3.42Å; T609-D649 WeakPolarHBondContact CG2-OD1 3.45Å; T609-D649 PolarHBondContact OG1-N 3.28Å; T609-D649 PolarHBondContact OG1-OD1 3.49Å
610	L	47.1	Very low	45.3	Very low	99 Å²	99	56.1 Å²	56.1	52%	0.518	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.1	-170.8	-100.2	125.8	0	0	0	115.7	P608	P608-L610 PolarHBondContact O-N 2.85Å
611	N	58.6	Low	46.7	Very low	110 Å²	110	54.5 Å²	54.5	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.4	-179.3	68.6	-7.8	0	0	0	113.9	T609 R615	T609-N611 WeakPolarHBondContact CG2-OD1 3.22Å; T609-N611 PolarHBondContact O-N 2.74Å; N611-R615 PolarHBondContact O-NE 3.49Å
612	K	58.6	Low	48	Very low	29 Å²	29	56 Å²	56	13%	0.126	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-15.7	174.1	-59.4	-167.4	-171.8	173.5	0	112.6	T609 G614 R615 W617 L638 D643 D649 A652	T609-K612 HydrophobicContact CG2-CB 4.47Å; T609-K612 HydrophobicContact CG2-CD 4.31Å; T609-K612 HydrophobicContact CG2-CG 4.03Å; T609-K612 PolarHBondContact O-N 3.45Å; K612-G614 PolarHBondContact O-N 3.43Å; K612-R615 WeakPolarHBondContact O-CB 3.09Å; K612-R615 WeakPolarHBondContact O-CG 3.2Å; K612-R615 PolarHBondContact O-N 2.85Å; K612-W617 HydrophobicContact CB-CZ2 4.14Å; K612-W617 HydrophobicContact CD-CH2 4.18Å; K612-W617 HydrophobicContact CD-CZ2 4.47Å; K612-L638 HydrophobicContact CB-CD1 3.66Å; K612-L638 HydrophobicContact CD-CD1 3.96Å; K612-L638 HydrophobicContact CG-CD1 3.68Å; K612-D643 PolarHBondContact NZ-O 3.33Å; K612-D649 HydrophobicContact CD-CB 4.14Å; K612-D649 VanDerWaalsContact CD-OD1 3.28Å; K612-D649 WeakPolarHBondContact CD-OD1 3.34Å; K612-D649 WeakPolarHBondContact CE-OD1 3.45Å; K612-D649 IonicContact NZ-OD1 2.79Å; K612-D649 PolarHBondContact NZ-OD1 3.14Å; K612-D649 VanDerWaalsContact NZ-OD1 3.17Å; K612-D649 IonicContact NZ-OD2 3.25Å; K612-D649 PolarHBondContact NZ-OD2 3.25Å; K612-A652 HydrophobicContact CB-CB 4.11Å
613	C	47.9	Very low	48.7	Very low	25 Å²	25	56.1 Å²	56.1	17%	0.169	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	133.8	172.9	-63.8	0	0	0	0	111.9	T609 R615	T609-C613 PolarHBondContact O-N 2.91Å; T609-C613 PolarHBondContact O-SG 3.01Å; C613-R615 PolarHBondContact O-N 3.06Å
614	G	41.5	Very low	49.6	Very low	53 Å²	53	55.1 Å²	55.1	55%	0.546	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	9.4	176.8	0	0	0	0	0	115	K612	K612-G614 PolarHBondContact O-N 3.43Å
615	R	49.7	Very low	50.9	Low	85 Å²	85	56.9 Å²	56.9	32%	0.321	32%	0.319	S	S	.	.			trans	-80.4	155.9	168.6	-59.6	-65.5	-172.4	174.7	7.5	110.3	N611 K612 C613 W617 D635 L638	N611-R615 PolarHBondContact O-NE 3.49Å; K612-R615 WeakPolarHBondContact O-CB 3.09Å; K612-R615 WeakPolarHBondContact O-CG 3.2Å; K612-R615 PolarHBondContact O-N 2.85Å; C613-R615 PolarHBondContact O-N 3.06Å; R615-W617 VanDerWaalsContact O-CD1 3.22Å; R615-D635 VanDerWaalsContact CD-O 3.26Å; R615-D635 WeakPolarHBondContact CD-O 3.32Å; R615-D635 PolarHBondContact NE-O 2.95Å; R615-D635 VanDerWaalsContact NH1-C 3.3Å; R615-D635 PolarHBondContact NH1-O 2.8Å; R615-L638 HydrophobicContact CB-CD1 3.73Å; R615-L638 HydrophobicContact CB-CG 3.88Å; R615-L638 HydrophobicContact CG-CD1 3.81Å; R615-L638 HydrophobicContact CG-CG 4.14Å
616	W	41.9	Very low	51.5	Low	100 Å²	100	57.9 Å²	57.9	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.2	175.4	-70.6	95.7	0	0	0	110.1	L636 Y637 L638 E755	W616-L636 PolarHBondContact N-O 2.89Å; W616-Y637 HydrophobicContact CB-CD1 3.54Å; W616-Y637 HydrophobicContact CB-CE1 3.58Å; W616-Y637 HydrophobicContact CB-CG 4.41Å; W616-Y637 HydrophobicContact CG-CE1 4.12Å; W616-Y637 CarbonylContact O-C 3.43Å; W616-Y637 VanDerWaalsContact O-CA 3.29Å; W616-Y637 WeakPolarHBondContact O-CA 3.34Å; W616-L638 PolarHBondContact O-N 3.42Å; W616-E755 HydrophobicContact CH2-CB 4.31Å; W616-E755 WeakPolarHBondContact CH2-OE2 3.18Å
617	W	50.7	Low	51.2	Low	33 Å²	33	57.7 Å²	57.7	13%	0.125	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.9	-175.1	-67.3	82.3	0	0	0	111.6	K612 R615 L638 Y640 D643 L644 A653	K612-W617 HydrophobicContact CB-CZ2 4.14Å; K612-W617 HydrophobicContact CD-CH2 4.18Å; K612-W617 HydrophobicContact CD-CZ2 4.47Å; R615-W617 VanDerWaalsContact O-CD1 3.22Å; W617-L638 CarbonylContact C-O 3.59Å; W617-L638 VanDerWaalsContact CA-O 3.26Å; W617-L638 WeakPolarHBondContact CA-O 3.27Å; W617-L638 HydrophobicContact CD2-CB 3.89Å; W617-L638 HydrophobicContact CE3-CB 3.73Å; W617-L638 HydrophobicContact CH2-CB 4.13Å; W617-L638 HydrophobicContact CH2-CD1 3.8Å; W617-L638 HydrophobicContact CZ2-CB 4.26Å; W617-L638 HydrophobicContact CZ2-CD1 3.56Å; W617-L638 HydrophobicContact CZ3-CB 3.84Å; W617-L638 HydrophobicContact CZ3-CD1 4.37Å; W617-Y640 HydrophobicContact CB-CD1 4.07Å; W617-Y640 HydrophobicContact CB-CD2 4.38Å; W617-Y640 HydrophobicContact CB-CE1 3.43Å; W617-Y640 VanDerWaalsContact CB-CE1 3.43Å; W617-Y640 HydrophobicContact CB-CE2 3.76Å; W617-Y640 WeakPolarHBondContact CB-OH 3.44Å; W617-Y640 HydrophobicContact CD2-CD1 4.22Å; W617-Y640 HydrophobicContact CD2-CE1 4.04Å; W617-Y640 AromaticContact CE3-CD1 3.72Å; W617-Y640 HydrophobicContact CE3-CD1 3.72Å; W617-Y640 HydrophobicContact CE3-CE1 4.03Å; W617-Y640 HydrophobicContact CE3-CG 4.41Å; W617-Y640 HydrophobicContact CG-CD1 4.4Å; W617-Y640 AromaticContact CG-CE1 3.83Å; W617-Y640 HydrophobicContact CG-CE1 3.83Å; W617-D643 HydrophobicContact CH2-CB 4.44Å; W617-D643 HydrophobicContact CZ3-CB 4.02Å; W617-L644 HydrophobicContact CE3-CD1 4.22Å; W617-L644 HydrophobicContact CH2-CB 4.34Å; W617-L644 HydrophobicContact CH2-CD1 3.69Å; W617-L644 HydrophobicContact CZ2-CD1 4.37Å; W617-L644 HydrophobicContact CZ3-CB 3.79Å; W617-L644 HydrophobicContact CZ3-CD1 3.63Å; W617-L644 HydrophobicContact CZ3-CG 4.33Å; W617-A653 HydrophobicContact CD2-CB 3.77Å; W617-A653 HydrophobicContact CE3-CB 4.32Å; W617-A653 HydrophobicContact CG-CB 4.23Å; W617-A653 HydrophobicContact CH2-CB 4.07Å; W617-A653 HydrophobicContact CZ2-CB 3.49Å; W617-A653 VanDerWaalsContact CZ2-CB 3.49Å; W617-A653 HydrophobicContact CZ3-CB 4.46Å
618	T	42.4	Very low	51.1	Low	18 Å²	18	55.7 Å²	55.7	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	163.1	177.3	66.5	0	0	0	0	110.8	T620 S624 I627 Y637 L638 A639 Y640	T618-T620 PolarHBondContact OG1-O 3.28Å; T618-S624 WeakPolarHBondContact OG1-CA 3.16Å; T618-S624 VanDerWaalsContact OG1-CB 3.24Å; T618-S624 WeakPolarHBondContact OG1-CB 2.93Å; T618-S624 PolarHBondContact OG1-N 2.98Å; T618-S624 VanDerWaalsContact OG1-N 3.15Å; T618-I627 HydrophobicContact CG2-CD1 3.81Å; T618-Y637 HydrophobicContact CG2-CD1 4.08Å; T618-L638 PolarHBondContact N-O 2.85Å; T618-L638 PolarHBondContact OG1-O 3.07Å; T618-A639 CarbonylContact O-C 3.57Å; T618-A639 VanDerWaalsContact O-CA 3.24Å; T618-A639 WeakPolarHBondContact O-CA 3.19Å; T618-Y640 WeakPolarHBondContact O-CD2 3.36Å; T618-Y640 PolarHBondContact O-N 3.37Å
619	E	44	Very low	50.8	Low	82 Å²	82	58.3 Å²	58.3	38%	0.383	32%	0.316	S	S	.	.	S	Bend	trans	-61	-56.2	179.8	-169.8	-175.5	167.3	0	0	112.9	E641 N678	E619-E641 WeakPolarHBondContact O-CB 3.27Å; E619-E641 PolarHBondContact O-N 3.23Å; E619-N678 VanDerWaalsContact OE1-CG 3.31Å; E619-N678 PolarHBondContact OE1-ND2 3.35Å; E619-N678 PolarHBondContact OE1-OD1 3.12Å
620	T	47.1	Very low	50.1	Low	36 Å²	36	63.4 Å²	63.4	22%	0.221	34%	0.338	C	S	.	.	S	Bend	trans	-117.2	155.7	-172.5	57.9	0	0	0	0	112.7	T618 A622 A623 S624 A639 E641	T618-T620 PolarHBondContact OG1-O 3.28Å; T620-A622 PolarHBondContact O-N 3.2Å; T620-A623 WeakPolarHBondContact O-CB 3.02Å; T620-A623 PolarHBondContact O-N 3.42Å; T620-A623 WeakPolarHBondContact OG1-CB 3.27Å; T620-A623 PolarHBondContact OG1-N 2.8Å; T620-A623 VanDerWaalsContact OG1-N 3.16Å; T620-S624 PolarHBondContact O-N 3.4Å; T620-A639 WeakPolarHBondContact O-CB 3.28Å; T620-E641 WeakPolarHBondContact CA-OE2 3.23Å; T620-E641 WeakPolarHBondContact CB-OE2 2.95Å
621	K	66.9	Low	49.4	Very low	61 Å²	61	60.8 Å²	60.8	27%	0.265	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-37.5	175.5	-167.5	55.6	162.8	-160	0	111.3	A623 S624 E625 A639 E641 T642 D643	K621-A623 VanDerWaalsContact C-N 3.3Å; K621-A623 PolarHBondContact O-N 3.14Å; K621-S624 PolarHBondContact O-N 3.09Å; K621-E625 HydrophobicContact CD-CG 4.33Å; K621-E625 HydrophobicContact CG-CG 4.2Å; K621-E625 WeakPolarHBondContact O-CB 3.4Å; K621-E625 WeakPolarHBondContact O-CG 3.16Å; K621-E625 PolarHBondContact O-N 3.26Å; K621-A639 HydrophobicContact CB-CB 4.25Å; K621-A639 HydrophobicContact CD-CB 4.21Å; K621-E641 PolarHBondContact N-OE2 3.37Å; K621-T642 HydrophobicContact CB-CG2 3.92Å; K621-T642 WeakPolarHBondContact CD-OG1 3.44Å; K621-T642 HydrophobicContact CG-CG2 4.5Å; K621-D643 VanDerWaalsContact NZ-CG 3.28Å; K621-D643 IonicContact NZ-OD1 3.76Å; K621-D643 PolarHBondContact NZ-OD1 3.06Å; K621-D643 IonicContact NZ-OD2 3.07Å; K621-D643 PolarHBondContact NZ-OD2 2.86Å
622	A	66.7	Low	48.3	Very low	57 Å²	57	58.4 Å²	58.4	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-30.1	174.9	0	0	0	0	0	113.3	T620 R626	T620-A622 PolarHBondContact O-N 3.2Å; A622-R626 WeakPolarHBondContact O-CB 3.29Å; A622-R626 PolarHBondContact O-N 3.27Å; A622-R626 VanDerWaalsContact O-N 3.09Å
623	A	47.3	Very low	47.3	Very low	20 Å²	20	59 Å²	59	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-73.2	-47.6	171.7	0	0	0	0	0	110.9	T620 K621 E625 R626 I627	T620-A623 WeakPolarHBondContact O-CB 3.02Å; T620-A623 PolarHBondContact O-N 3.42Å; T620-A623 WeakPolarHBondContact OG1-CB 3.27Å; T620-A623 PolarHBondContact OG1-N 2.8Å; T620-A623 VanDerWaalsContact OG1-N 3.16Å; K621-A623 VanDerWaalsContact C-N 3.3Å; K621-A623 PolarHBondContact O-N 3.14Å; A623-E625 PolarHBondContact O-N 3.05Å; A623-R626 PolarHBondContact O-N 3Å; A623-I627 WeakPolarHBondContact O-CB 3.38Å; A623-I627 VanDerWaalsContact O-CG1 3.24Å; A623-I627 WeakPolarHBondContact O-CG1 3.4Å; A623-I627 PolarHBondContact O-N 3.38Å
624	S	51.9	Low	47.2	Very low	3 Å²	3	62.3 Å²	62.3	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-54.1	-52.7	174	171.8	0	0	0	0	111.1	T618 T620 K621 R626 I627 A628 Y637	T618-S624 WeakPolarHBondContact OG1-CA 3.16Å; T618-S624 VanDerWaalsContact OG1-CB 3.24Å; T618-S624 WeakPolarHBondContact OG1-CB 2.93Å; T618-S624 PolarHBondContact OG1-N 2.98Å; T618-S624 VanDerWaalsContact OG1-N 3.15Å; T620-S624 PolarHBondContact O-N 3.4Å; K621-S624 PolarHBondContact O-N 3.09Å; S624-R626 PolarHBondContact O-N 3.27Å; S624-I627 PolarHBondContact O-N 3.17Å; S624-A628 WeakPolarHBondContact O-CA 3.46Å; S624-A628 WeakPolarHBondContact O-CB 3.33Å; S624-A628 PolarHBondContact O-N 3.36Å; S624-Y637 VanDerWaalsContact OG-C 3.3Å; S624-Y637 VanDerWaalsContact OG-CB 3.31Å; S624-Y637 WeakPolarHBondContact OG-CB 3.37Å; S624-Y637 PolarHBondContact OG-O 3.48Å
625	E	65.8	Low	47.7	Very low	120 Å²	120	65.4 Å²	65.4	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-65.1	-37.7	-179.5	-73.6	176.8	176.1	0	0	112.8	K621 A623 G629	K621-E625 HydrophobicContact CD-CG 4.33Å; K621-E625 HydrophobicContact CG-CG 4.2Å; K621-E625 WeakPolarHBondContact O-CB 3.4Å; K621-E625 WeakPolarHBondContact O-CG 3.16Å; K621-E625 PolarHBondContact O-N 3.26Å; A623-E625 PolarHBondContact O-N 3.05Å; E625-G629 WeakPolarHBondContact O-CA 3.22Å; E625-G629 PolarHBondContact O-N 2.82Å
626	R	51.7	Low	47.5	Very low	151 Å²	151	63.7 Å²	63.7	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-66.8	-46.4	176.7	-172.5	-167	-26.4	-174.8	10.2	110.9	A622 A623 S624 G629 Q630	A622-R626 WeakPolarHBondContact O-CB 3.29Å; A622-R626 PolarHBondContact O-N 3.27Å; A622-R626 VanDerWaalsContact O-N 3.09Å; A623-R626 PolarHBondContact O-N 3Å; S624-R626 PolarHBondContact O-N 3.27Å; R626-G629 PolarHBondContact O-N 3.19Å; R626-Q630 VanDerWaalsContact O-CB 3.25Å; R626-Q630 WeakPolarHBondContact O-CB 3.49Å; R626-Q630 WeakPolarHBondContact O-CG 3.16Å; R626-Q630 PolarHBondContact O-N 3.05Å
627	I	40.2	Very low	47.7	Very low	44 Å²	44	61 Å²	61	23%	0.226	35%	0.349	C	S	.	.	H	α-helix	trans	-65.4	-53.7	177.1	-67	165.1	0	0	0	108.5	T618 A623 S624 G629 Q630 C631 Y637	T618-I627 HydrophobicContact CG2-CD1 3.81Å; A623-I627 WeakPolarHBondContact O-CB 3.38Å; A623-I627 VanDerWaalsContact O-CG1 3.24Å; A623-I627 WeakPolarHBondContact O-CG1 3.4Å; A623-I627 PolarHBondContact O-N 3.38Å; S624-I627 PolarHBondContact O-N 3.17Å; I627-G629 PolarHBondContact O-N 2.98Å; I627-Q630 CarbonylContact O-C 3.54Å; I627-Q630 PolarHBondContact O-N 2.93Å; I627-C631 VanDerWaalsContact CG2-SG 3.56Å; I627-C631 VanDerWaalsContact O-CB 3.3Å; I627-C631 WeakPolarHBondContact O-CB 3.49Å; I627-C631 PolarHBondContact O-N 3.41Å; I627-C631 PolarHBondContact O-SG 3.5Å; I627-Y637 HydrophobicContact CG2-CD1 3.95Å; I627-Y637 HydrophobicContact CG2-CD2 4.09Å; I627-Y637 HydrophobicContact CG2-CE1 3.56Å; I627-Y637 HydrophobicContact CG2-CE2 3.71Å; I627-Y637 HydrophobicContact CG2-CG 4.2Å; I627-Y637 VanDerWaalsContact CG2-CZ 3.43Å
628	A	46.8	Very low	48.1	Very low	8 Å²	8	60.5 Å²	60.5	7%	0.066	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-37.9	178.4	0	0	0	0	0	112.9	S624 G632 C633 Y637	S624-A628 WeakPolarHBondContact O-CA 3.46Å; S624-A628 WeakPolarHBondContact O-CB 3.33Å; S624-A628 PolarHBondContact O-N 3.36Å; A628-G632 CarbonylContact O-C 3.55Å; A628-G632 WeakPolarHBondContact O-CA 3.37Å; A628-G632 PolarHBondContact O-N 2.95Å; A628-C633 PolarHBondContact O-N 3.49Å; A628-Y637 HydrophobicContact CB-CD2 4.05Å
629	G	43.9	Very low	48.9	Very low	61 Å²	61	59.6 Å²	59.6	63%	0.629	34%	0.343	S	S	*	.	H	α-helix	trans	-69.7	-40	173.9	0	0	0	0	0	113.3	E625 R626 I627	E625-G629 WeakPolarHBondContact O-CA 3.22Å; E625-G629 PolarHBondContact O-N 2.82Å; R626-G629 PolarHBondContact O-N 3.19Å; I627-G629 PolarHBondContact O-N 2.98Å
630	Q	41.7	Very low	49.3	Very low	137 Å²	137	58.3 Å²	58.3	64%	0.64	34%	0.335	S	S	*	.	H	α-helix	trans	-69.9	-35.9	174.5	-75.7	172.3	-16.2	0	0	112.2	R626 I627	R626-Q630 VanDerWaalsContact O-CB 3.25Å; R626-Q630 WeakPolarHBondContact O-CB 3.49Å; R626-Q630 WeakPolarHBondContact O-CG 3.16Å; R626-Q630 PolarHBondContact O-N 3.05Å; I627-Q630 CarbonylContact O-C 3.54Å; I627-Q630 PolarHBondContact O-N 2.93Å
631	C	32.7	Very low	49.7	Very low	43 Å²	43	61.3 Å²	61.3	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-85.7	-17.2	-179.4	-53.9	0	0	0	0	113.4	I627 C633 Y637	I627-C631 VanDerWaalsContact CG2-SG 3.56Å; I627-C631 VanDerWaalsContact O-CB 3.3Å; I627-C631 WeakPolarHBondContact O-CB 3.49Å; I627-C631 PolarHBondContact O-N 3.41Å; I627-C631 PolarHBondContact O-SG 3.5Å; C631-C633 VanDerWaalsContact C-N 3.29Å; C631-C633 HydrophobicContact CB-CB 4.47Å; C631-C633 PolarHBondContact O-N 3.46Å; C631-Y637 HydrophobicContact CB-CE2 4.46Å
632	G	35	Very low	49.6	Very low	60 Å²	60	61 Å²	61	62%	0.619	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	18.2	-173.5	0	0	0	0	0	115	A628 P634	A628-G632 CarbonylContact O-C 3.55Å; A628-G632 WeakPolarHBondContact O-CA 3.37Å; A628-G632 PolarHBondContact O-N 2.95Å; G632-P634 VanDerWaalsContact O-CD 3.31Å; G632-P634 WeakPolarHBondContact O-CD 3.03Å
633	C	37.3	Very low	49.6	Very low	42 Å²	42	59.5 Å²	59.5	28%	0.284	33%	0.334	S	S	.	.			trans	-120.5	73.8	-174.5	-72.3	0	0	0	0	111	A628 C631 D635 L636	A628-C633 PolarHBondContact O-N 3.49Å; C631-C633 VanDerWaalsContact C-N 3.29Å; C631-C633 HydrophobicContact CB-CB 4.47Å; C631-C633 PolarHBondContact O-N 3.46Å; C633-D635 VanDerWaalsContact C-N 3.26Å; C633-D635 PolarHBondContact O-N 3.02Å; C633-L636 HydrophobicContact CB-CB 4.12Å; C633-L636 PolarHBondContact O-N 3.28Å
634	P	46.3	Very low	50.2	Low	95 Å²	95	59.4 Å²	59.4	62%	0.617	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.9	-171.4	20.9	-32	0	0	0	114	G632	G632-P634 VanDerWaalsContact O-CD 3.31Å; G632-P634 WeakPolarHBondContact O-CD 3.03Å
635	D	52.5	Low	50.8	Low	117 Å²	117	65.2 Å²	65.2	63%	0.626	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.9	-172.9	-57.9	-33.4	0	0	0	113.6	R615 C633	R615-D635 VanDerWaalsContact CD-O 3.26Å; R615-D635 WeakPolarHBondContact CD-O 3.32Å; R615-D635 PolarHBondContact NE-O 2.95Å; R615-D635 VanDerWaalsContact NH1-C 3.3Å; R615-D635 PolarHBondContact NH1-O 2.8Å; C633-D635 VanDerWaalsContact C-N 3.26Å; C633-D635 PolarHBondContact O-N 3.02Å
636	L	44.7	Very low	50.5	Low	50 Å²	50	62.7 Å²	62.7	26%	0.262	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-25.5	-170.2	-152.5	84.5	0	0	0	113.3	W616 C633	W616-L636 PolarHBondContact N-O 2.89Å; C633-L636 HydrophobicContact CB-CB 4.12Å; C633-L636 PolarHBondContact O-N 3.28Å
637	Y	47.1	Very low	50.7	Low	43 Å²	43	58.7 Å²	58.7	17%	0.169	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.8	-173.6	-65	-87.9	0	0	0	111.2	W616 T618 S624 I627 A628 C631	W616-Y637 HydrophobicContact CB-CD1 3.54Å; W616-Y637 HydrophobicContact CB-CE1 3.58Å; W616-Y637 HydrophobicContact CB-CG 4.41Å; W616-Y637 HydrophobicContact CG-CE1 4.12Å; W616-Y637 CarbonylContact O-C 3.43Å; W616-Y637 VanDerWaalsContact O-CA 3.29Å; W616-Y637 WeakPolarHBondContact O-CA 3.34Å; T618-Y637 HydrophobicContact CG2-CD1 4.08Å; S624-Y637 VanDerWaalsContact OG-C 3.3Å; S624-Y637 VanDerWaalsContact OG-CB 3.31Å; S624-Y637 WeakPolarHBondContact OG-CB 3.37Å; S624-Y637 PolarHBondContact OG-O 3.48Å; I627-Y637 HydrophobicContact CG2-CD1 3.95Å; I627-Y637 HydrophobicContact CG2-CD2 4.09Å; I627-Y637 HydrophobicContact CG2-CE1 3.56Å; I627-Y637 HydrophobicContact CG2-CE2 3.71Å; I627-Y637 HydrophobicContact CG2-CG 4.2Å; I627-Y637 VanDerWaalsContact CG2-CZ 3.43Å; A628-Y637 HydrophobicContact CB-CD2 4.05Å; C631-Y637 HydrophobicContact CB-CE2 4.46Å
638	L	59.2	Low	51.6	Low	22 Å²	22	58 Å²	58	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.4	172.8	-63	-178.6	0	0	0	108.8	K612 R615 W616 W617 T618 D643	K612-L638 HydrophobicContact CB-CD1 3.66Å; K612-L638 HydrophobicContact CD-CD1 3.96Å; K612-L638 HydrophobicContact CG-CD1 3.68Å; R615-L638 HydrophobicContact CB-CD1 3.73Å; R615-L638 HydrophobicContact CB-CG 3.88Å; R615-L638 HydrophobicContact CG-CD1 3.81Å; R615-L638 HydrophobicContact CG-CG 4.14Å; W616-L638 PolarHBondContact O-N 3.42Å; W617-L638 CarbonylContact C-O 3.59Å; W617-L638 VanDerWaalsContact CA-O 3.26Å; W617-L638 WeakPolarHBondContact CA-O 3.27Å; W617-L638 HydrophobicContact CD2-CB 3.89Å; W617-L638 HydrophobicContact CE3-CB 3.73Å; W617-L638 HydrophobicContact CH2-CB 4.13Å; W617-L638 HydrophobicContact CH2-CD1 3.8Å; W617-L638 HydrophobicContact CZ2-CB 4.26Å; W617-L638 HydrophobicContact CZ2-CD1 3.56Å; W617-L638 HydrophobicContact CZ3-CB 3.84Å; W617-L638 HydrophobicContact CZ3-CD1 4.37Å; T618-L638 PolarHBondContact N-O 2.85Å; T618-L638 PolarHBondContact OG1-O 3.07Å; L638-D643 VanDerWaalsContact CA-OD2 3.27Å; L638-D643 WeakPolarHBondContact CA-OD2 3.23Å; L638-D643 HydrophobicContact CB-CB 3.8Å; L638-D643 HydrophobicContact CD2-CB 3.95Å; L638-D643 HydrophobicContact CG-CB 4.3Å
639	A	58.6	Low	52.3	Low	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.2	178.2	0	0	0	0	0	110.9	T618 T620 K621 E641 T642 D643	T618-A639 CarbonylContact O-C 3.57Å; T618-A639 VanDerWaalsContact O-CA 3.24Å; T618-A639 WeakPolarHBondContact O-CA 3.19Å; T620-A639 WeakPolarHBondContact O-CB 3.28Å; K621-A639 HydrophobicContact CB-CB 4.25Å; K621-A639 HydrophobicContact CD-CB 4.21Å; A639-E641 PolarHBondContact O-N 3.23Å; A639-T642 PolarHBondContact O-N 2.93Å; A639-D643 PolarHBondContact N-OD2 3.14Å; A639-D643 WeakPolarHBondContact O-CA 3.21Å; A639-D643 WeakPolarHBondContact O-CB 3.43Å; A639-D643 PolarHBondContact O-N 2.92Å
640	Y	53	Low	52.9	Low	54 Å²	54	54.8 Å²	54.8	21%	0.212	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.5	174.1	-62.7	-62.6	0	0	0	111.7	W617 T618 T642 L644 A653 F654	W617-Y640 HydrophobicContact CB-CD1 4.07Å; W617-Y640 HydrophobicContact CB-CD2 4.38Å; W617-Y640 HydrophobicContact CB-CE1 3.43Å; W617-Y640 VanDerWaalsContact CB-CE1 3.43Å; W617-Y640 HydrophobicContact CB-CE2 3.76Å; W617-Y640 WeakPolarHBondContact CB-OH 3.44Å; W617-Y640 HydrophobicContact CD2-CD1 4.22Å; W617-Y640 HydrophobicContact CD2-CE1 4.04Å; W617-Y640 AromaticContact CE3-CD1 3.72Å; W617-Y640 HydrophobicContact CE3-CD1 3.72Å; W617-Y640 HydrophobicContact CE3-CE1 4.03Å; W617-Y640 HydrophobicContact CE3-CG 4.41Å; W617-Y640 HydrophobicContact CG-CD1 4.4Å; W617-Y640 AromaticContact CG-CE1 3.83Å; W617-Y640 HydrophobicContact CG-CE1 3.83Å; T618-Y640 WeakPolarHBondContact O-CD2 3.36Å; T618-Y640 PolarHBondContact O-N 3.37Å; Y640-T642 PolarHBondContact O-N 3.17Å; Y640-L644 HydrophobicContact CD1-CD1 4.39Å; Y640-L644 HydrophobicContact CD1-CD2 4.1Å; Y640-L644 WeakPolarHBondContact O-CB 3.47Å; Y640-A653 HydrophobicContact CE1-CB 4.46Å; Y640-F654 HydrophobicContact CD1-CZ 4.23Å; Y640-F654 AromaticContact CE1-CE1 3.86Å; Y640-F654 HydrophobicContact CE1-CE1 3.86Å; Y640-F654 AromaticContact CE1-CZ 3.89Å; Y640-F654 HydrophobicContact CE1-CZ 3.89Å
641	E	54.5	Low	53.4	Low	99 Å²	99	48.4 Å²	48.4	46%	0.463	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.5	178.2	-177.1	-174.7	-157.5	0	0	114.3	E619 T620 K621 A639	E619-E641 WeakPolarHBondContact O-CB 3.27Å; E619-E641 PolarHBondContact O-N 3.23Å; T620-E641 WeakPolarHBondContact CA-OE2 3.23Å; T620-E641 WeakPolarHBondContact CB-OE2 2.95Å; K621-E641 PolarHBondContact N-OE2 3.37Å; A639-E641 PolarHBondContact O-N 3.23Å
642	T	64.8	Low	54.4	Low	56 Å²	56	46.5 Å²	46.5	34%	0.344	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-31.9	-167.5	51.7	0	0	0	0	114.6	K621 A639 Y640	K621-T642 HydrophobicContact CB-CG2 3.92Å; K621-T642 WeakPolarHBondContact CD-OG1 3.44Å; K621-T642 HydrophobicContact CG-CG2 4.5Å; A639-T642 PolarHBondContact O-N 2.93Å; Y640-T642 PolarHBondContact O-N 3.17Å
643	D	67.9	Low	55.3	Low	25 Å²	25	44.1 Å²	44.1	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.3	-174.6	-59.7	-57.2	0	0	0	112.4	K612 W617 K621 L638 A639	K612-D643 PolarHBondContact NZ-O 3.33Å; W617-D643 HydrophobicContact CH2-CB 4.44Å; W617-D643 HydrophobicContact CZ3-CB 4.02Å; K621-D643 VanDerWaalsContact NZ-CG 3.28Å; K621-D643 IonicContact NZ-OD1 3.76Å; K621-D643 PolarHBondContact NZ-OD1 3.06Å; K621-D643 IonicContact NZ-OD2 3.07Å; K621-D643 PolarHBondContact NZ-OD2 2.86Å; L638-D643 VanDerWaalsContact CA-OD2 3.27Å; L638-D643 WeakPolarHBondContact CA-OD2 3.23Å; L638-D643 HydrophobicContact CB-CB 3.8Å; L638-D643 HydrophobicContact CD2-CB 3.95Å; L638-D643 HydrophobicContact CG-CB 4.3Å; A639-D643 PolarHBondContact N-OD2 3.14Å; A639-D643 WeakPolarHBondContact O-CA 3.21Å; A639-D643 WeakPolarHBondContact O-CB 3.43Å; A639-D643 PolarHBondContact O-N 2.92Å
644	L	59.9	Low	55.7	Low	17 Å²	17	43.2 Å²	43.2	9%	0.089	23%	0.227	C	C	.	.			trans	-98.1	83.4	178	-161.7	82.1	0	0	0	109.5	F599 W617 Y640 A650 A653 F654	F599-L644 HydrophobicContact CD2-CD2 3.85Å; F599-L644 HydrophobicContact CD2-CG 4.31Å; F599-L644 HydrophobicContact CE1-CG 4.33Å; F599-L644 HydrophobicContact CE2-CD1 4.5Å; F599-L644 HydrophobicContact CE2-CD2 3.03Å; F599-L644 HydrophobicContact CE2-CG 3.48Å; F599-L644 VanDerWaalsContact CE2-CG 3.48Å; F599-L644 HydrophobicContact CZ-CB 4.25Å; F599-L644 HydrophobicContact CZ-CD2 3.55Å; F599-L644 HydrophobicContact CZ-CG 3.46Å; F599-L644 VanDerWaalsContact CZ-CG 3.46Å; F599-L644 WeakPolarHBondContact CZ-O 3.34Å; W617-L644 HydrophobicContact CE3-CD1 4.22Å; W617-L644 HydrophobicContact CH2-CB 4.34Å; W617-L644 HydrophobicContact CH2-CD1 3.69Å; W617-L644 HydrophobicContact CZ2-CD1 4.37Å; W617-L644 HydrophobicContact CZ3-CB 3.79Å; W617-L644 HydrophobicContact CZ3-CD1 3.63Å; W617-L644 HydrophobicContact CZ3-CG 4.33Å; Y640-L644 HydrophobicContact CD1-CD1 4.39Å; Y640-L644 HydrophobicContact CD1-CD2 4.1Å; Y640-L644 WeakPolarHBondContact O-CB 3.47Å; L644-A650 HydrophobicContact CD1-CB 4.13Å; L644-A653 HydrophobicContact CD1-CB 3.55Å; L644-F654 HydrophobicContact CD1-CE2 4.24Å; L644-F654 HydrophobicContact CD2-CE2 4.09Å; L644-F654 HydrophobicContact CD2-CZ 4.33Å
645	E	63	Low	55.6	Low	126 Å²	126	38.9 Å²	38.9	59%	0.589	20%	0.199	S	C	*	.			trans	-99.1	-28.4	-165.9	-59.7	179	157.9	0	0	113.8	D649	E645-D649 WeakPolarHBondContact CB-OD2 3.43Å; E645-D649 PolarHBondContact N-OD2 2.78Å
646	N	60.4	Low	54.8	Low	67 Å²	67	34.9 Å²	34.9	36%	0.358	18%	0.179	S	C	.	.	S	Bend	trans	-149.8	171.8	-172.1	60.6	60.8	0	0	0	112.2	F599 S648 D649 A650	F599-N646 WeakPolarHBondContact CD1-O 3.39Å; F599-N646 VanDerWaalsContact CE1-C 3.48Å; F599-N646 WeakPolarHBondContact CE1-O 3.16Å; N646-S648 PolarHBondContact O-N 2.98Å; N646-S648 WeakPolarHBondContact OD1-CA 3.08Å; N646-S648 WeakPolarHBondContact OD1-CB 3.43Å; N646-S648 PolarHBondContact OD1-N 2.74Å; N646-D649 PolarHBondContact ND2-OD2 3.15Å; N646-D649 WeakPolarHBondContact O-CB 3.31Å; N646-D649 PolarHBondContact O-N 3.32Å; N646-D649 VanDerWaalsContact O-N 3.1Å; N646-D649 PolarHBondContact OD1-N 3.35Å; N646-A650 PolarHBondContact O-N 3.21Å; N646-A650 VanDerWaalsContact O-N 3.07Å
647	D	55.8	Low	54.2	Low	67 Å²	67	34 Å²	34	36%	0.358	18%	0.175	S	C	.	.	H	α-helix	trans	-57.6	-35.4	179.7	-67.9	-25.1	0	0	0	112.9	F599 D600 T606 D649 A650 V651	F599-D647 WeakPolarHBondContact CA-OD1 3.25Å; D600-D647 PolarHBondContact N-OD1 3.28Å; T606-D647 HydrophobicContact CG2-CB 3.97Å; D647-D649 PolarHBondContact O-N 3.17Å; D647-A650 PolarHBondContact O-N 2.81Å; D647-V651 WeakPolarHBondContact O-CG2 3.41Å; D647-V651 PolarHBondContact O-N 3.49Å
648	S	57.7	Low	53.5	Low	28 Å²	28	33.5 Å²	33.5	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-39	177.3	-170.1	0	0	0	0	111.9	A607 P608 T609 N646 V651 A652	A607-S648 VanDerWaalsContact O-CB 3.29Å; A607-S648 WeakPolarHBondContact O-CB 3.18Å; A607-S648 PolarHBondContact O-OG 3.47Å; P608-S648 WeakPolarHBondContact CA-O 3.15Å; T609-S648 PolarHBondContact N-O 2.72Å; T609-S648 PolarHBondContact N-OG 2.9Å; T609-S648 VanDerWaalsContact OG1-C 3.3Å; T609-S648 WeakPolarHBondContact OG1-CB 2.97Å; T609-S648 PolarHBondContact OG1-OG 3.08Å; N646-S648 PolarHBondContact O-N 2.98Å; N646-S648 WeakPolarHBondContact OD1-CA 3.08Å; N646-S648 WeakPolarHBondContact OD1-CB 3.43Å; N646-S648 PolarHBondContact OD1-N 2.74Å; S648-V651 PolarHBondContact O-N 2.89Å; S648-A652 WeakPolarHBondContact O-CB 3.41Å; S648-A652 PolarHBondContact O-N 3.42Å
649	D	61.6	Low	52.3	Low	2 Å²	2	33.7 Å²	33.7	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-38.5	175.5	-63	-25.8	0	0	0	111.7	T609 K612 E645 N646 D647 A652 A653	T609-D649 WeakPolarHBondContact CB-OD1 3.42Å; T609-D649 WeakPolarHBondContact CG2-OD1 3.45Å; T609-D649 PolarHBondContact OG1-N 3.28Å; T609-D649 PolarHBondContact OG1-OD1 3.49Å; K612-D649 HydrophobicContact CD-CB 4.14Å; K612-D649 VanDerWaalsContact CD-OD1 3.28Å; K612-D649 WeakPolarHBondContact CD-OD1 3.34Å; K612-D649 WeakPolarHBondContact CE-OD1 3.45Å; K612-D649 IonicContact NZ-OD1 2.79Å; K612-D649 PolarHBondContact NZ-OD1 3.14Å; K612-D649 VanDerWaalsContact NZ-OD1 3.17Å; K612-D649 IonicContact NZ-OD2 3.25Å; K612-D649 PolarHBondContact NZ-OD2 3.25Å; E645-D649 WeakPolarHBondContact CB-OD2 3.43Å; E645-D649 PolarHBondContact N-OD2 2.78Å; N646-D649 PolarHBondContact ND2-OD2 3.15Å; N646-D649 WeakPolarHBondContact O-CB 3.31Å; N646-D649 PolarHBondContact O-N 3.32Å; N646-D649 VanDerWaalsContact O-N 3.1Å; N646-D649 PolarHBondContact OD1-N 3.35Å; D647-D649 PolarHBondContact O-N 3.17Å; D649-A652 CarbonylContact O-C 3.6Å; D649-A652 WeakPolarHBondContact O-CA 3.25Å; D649-A652 WeakPolarHBondContact O-CB 3.47Å; D649-A652 PolarHBondContact O-N 2.97Å; D649-A652 VanDerWaalsContact O-N 3.16Å; D649-A653 WeakPolarHBondContact O-CB 3.35Å; D649-A653 PolarHBondContact O-N 3.25Å
650	A	57.2	Low	50.9	Low	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.8	-35.1	176.9	0	0	0	0	0	112.7	F599 L644 N646 D647 A652 A653 F654	F599-A650 HydrophobicContact CB-CB 3.12Å; F599-A650 HydrophobicContact CD1-CB 3.36Å; F599-A650 HydrophobicContact CD2-CB 3.48Å; F599-A650 VanDerWaalsContact CD2-CB 3.48Å; F599-A650 HydrophobicContact CE1-CB 4.04Å; F599-A650 HydrophobicContact CE2-CB 4.17Å; F599-A650 HydrophobicContact CG-CB 3Å; F599-A650 HydrophobicContact CZ-CB 4.4Å; L644-A650 HydrophobicContact CD1-CB 4.13Å; N646-A650 PolarHBondContact O-N 3.21Å; N646-A650 VanDerWaalsContact O-N 3.07Å; D647-A650 PolarHBondContact O-N 2.81Å; A650-A652 VanDerWaalsContact C-N 3.26Å; A650-A652 PolarHBondContact O-N 3.45Å; A650-A653 PolarHBondContact O-N 3.41Å; A650-F654 HydrophobicContact CB-CD2 3.94Å; A650-F654 HydrophobicContact CB-CE2 4.14Å; A650-F654 WeakPolarHBondContact O-CA 3.33Å; A650-F654 VanDerWaalsContact O-CB 3.27Å; A650-F654 WeakPolarHBondContact O-CB 2.99Å; A650-F654 WeakPolarHBondContact O-CD2 3.2Å; A650-F654 PolarHBondContact O-N 3.1Å
651	V	52.2	Low	49.7	Very low	3 Å²	3	35 Å²	35	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-39	166	-179.8	0	0	0	0	109.3	I601 P608 D647 S648 Q655 T720	I601-V651 HydrophobicContact CG2-CG2 4.1Å; P608-V651 HydrophobicContact CB-CB 4.3Å; P608-V651 HydrophobicContact CB-CG1 3.93Å; D647-V651 WeakPolarHBondContact O-CG2 3.41Å; D647-V651 PolarHBondContact O-N 3.49Å; S648-V651 PolarHBondContact O-N 2.89Å; V651-Q655 HydrophobicContact CG1-CG 3.96Å; V651-Q655 WeakPolarHBondContact O-CA 3Å; V651-Q655 WeakPolarHBondContact O-CB 3.32Å; V651-Q655 VanDerWaalsContact O-CG 3.23Å; V651-Q655 WeakPolarHBondContact O-CG 3.14Å; V651-Q655 PolarHBondContact O-N 2.75Å; V651-Q655 PolarHBondContact O-OE1 2.67Å; V651-T720 HydrophobicContact CG1-CG2 4.14Å
652	A	54.4	Low	48.5	Very low	3 Å²	3	30.5 Å²	30.5	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-37.1	175.1	0	0	0	0	0	113.8	P608 K612 S648 D649 A650	P608-A652 HydrophobicContact CB-CB 3.99Å; K612-A652 HydrophobicContact CB-CB 4.11Å; S648-A652 WeakPolarHBondContact O-CB 3.41Å; S648-A652 PolarHBondContact O-N 3.42Å; D649-A652 CarbonylContact O-C 3.6Å; D649-A652 WeakPolarHBondContact O-CA 3.25Å; D649-A652 WeakPolarHBondContact O-CB 3.47Å; D649-A652 PolarHBondContact O-N 2.97Å; D649-A652 VanDerWaalsContact O-N 3.16Å; A650-A652 VanDerWaalsContact C-N 3.26Å; A650-A652 PolarHBondContact O-N 3.45Å
653	A	52.9	Low	46.8	Very low	11 Å²	11	29.3 Å²	29.3	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-74.8	-43.4	-179.9	0	0	0	0	0	112.5	W617 Y640 L644 D649 A650	W617-A653 HydrophobicContact CD2-CB 3.77Å; W617-A653 HydrophobicContact CE3-CB 4.32Å; W617-A653 HydrophobicContact CG-CB 4.23Å; W617-A653 HydrophobicContact CH2-CB 4.07Å; W617-A653 HydrophobicContact CZ2-CB 3.49Å; W617-A653 VanDerWaalsContact CZ2-CB 3.49Å; W617-A653 HydrophobicContact CZ3-CB 4.46Å; Y640-A653 HydrophobicContact CE1-CB 4.46Å; L644-A653 HydrophobicContact CD1-CB 3.55Å; D649-A653 WeakPolarHBondContact O-CB 3.35Å; D649-A653 PolarHBondContact O-N 3.25Å; A650-A653 PolarHBondContact O-N 3.41Å
654	F	46.6	Very low	44.8	Very low	22 Å²	22	31.5 Å²	31.5	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-107.6	8.4	-173.9	-52.8	-65.4	0	0	0	112.7	F599 I601 Y640 L644 A650 L657 F658	F599-F654 HydrophobicContact CD2-CE2 4.36Å; I601-F654 HydrophobicContact CD1-CB 3.52Å; I601-F654 HydrophobicContact CD1-CD2 3.88Å; I601-F654 HydrophobicContact CD1-CG 3.89Å; I601-F654 HydrophobicContact CG1-CB 4.27Å; I601-F654 HydrophobicContact CG1-CD2 4.3Å; I601-F654 HydrophobicContact CG2-CB 4.32Å; Y640-F654 HydrophobicContact CD1-CZ 4.23Å; Y640-F654 AromaticContact CE1-CE1 3.86Å; Y640-F654 HydrophobicContact CE1-CE1 3.86Å; Y640-F654 AromaticContact CE1-CZ 3.89Å; Y640-F654 HydrophobicContact CE1-CZ 3.89Å; L644-F654 HydrophobicContact CD1-CE2 4.24Å; L644-F654 HydrophobicContact CD2-CE2 4.09Å; L644-F654 HydrophobicContact CD2-CZ 4.33Å; A650-F654 HydrophobicContact CB-CD2 3.94Å; A650-F654 HydrophobicContact CB-CE2 4.14Å; A650-F654 WeakPolarHBondContact O-CA 3.33Å; A650-F654 VanDerWaalsContact O-CB 3.27Å; A650-F654 WeakPolarHBondContact O-CB 2.99Å; A650-F654 WeakPolarHBondContact O-CD2 3.2Å; A650-F654 PolarHBondContact O-N 3.1Å; F654-L657 HydrophobicContact CB-CB 4.48Å; F654-L657 HydrophobicContact CB-CD1 3.96Å; F654-L657 HydrophobicContact CD1-CD1 3.73Å; F654-L657 HydrophobicContact CG-CD1 4.26Å; F654-L657 VanDerWaalsContact O-CA 3.31Å; F654-L657 WeakPolarHBondContact O-CA 3.34Å; F654-L657 WeakPolarHBondContact O-CB 3.4Å; F654-L657 PolarHBondContact O-N 2.76Å; F654-F658 PolarHBondContact O-N 2.81Å
655	Q	43.3	Very low	43.3	Very low	4 Å²	4	37.2 Å²	37.2	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-51.6	-36.4	171.2	-124.4	165.3	-27.5	0	0	114.2	P608 V651 L657 F658 L659 T720	P608-Q655 VanDerWaalsContact CG-OE1 3.28Å; V651-Q655 HydrophobicContact CG1-CG 3.96Å; V651-Q655 WeakPolarHBondContact O-CA 3Å; V651-Q655 WeakPolarHBondContact O-CB 3.32Å; V651-Q655 VanDerWaalsContact O-CG 3.23Å; V651-Q655 WeakPolarHBondContact O-CG 3.14Å; V651-Q655 PolarHBondContact O-N 2.75Å; V651-Q655 PolarHBondContact O-OE1 2.67Å; Q655-L657 PolarHBondContact O-N 3.24Å; Q655-F658 PolarHBondContact O-N 3.39Å; Q655-F658 VanDerWaalsContact O-N 3.14Å; Q655-L659 PolarHBondContact O-N 2.9Å; Q655-T720 HydrophobicContact CG-CG2 4.02Å; Q655-T720 VanDerWaalsContact NE2-C 3.27Å; Q655-T720 PolarHBondContact NE2-O 3.41Å
656	P	35.6	Very low	41.5	Very low	34 Å²	34	33.5 Å²	33.5	22%	0.221	18%	0.18	C	C	.	.	H	α-helix	trans	-50.4	-38.2	168.9	-26.5	34.1	0	0	0	112.4	L659 C660 L749 L753	P656-L659 PolarHBondContact O-N 3.33Å; P656-C660 PolarHBondContact O-N 2.61Å; P656-C660 PolarHBondContact O-SG 3.21Å; P656-C660 VanDerWaalsContact O-SG 3.35Å; P656-L749 HydrophobicContact CB-CD2 4.36Å; P656-L749 HydrophobicContact CG-CD1 4.21Å; P656-L749 HydrophobicContact CG-CD2 4.21Å; P656-L749 HydrophobicContact CG-CG 4.03Å; P656-L753 HydrophobicContact CB-CD2 4.09Å; P656-L753 HydrophobicContact CB-CG 4.07Å
657	L	33.6	Very low	39.9	Very low	31 Å²	31	37 Å²	37	16%	0.162	19%	0.188	C	C	.	.	H	α-helix	trans	-75.8	-35.6	177.3	-73.4	149.3	0	0	0	114	F654 Q655 L659 C660 R661 A671 M682	F654-L657 HydrophobicContact CB-CB 4.48Å; F654-L657 HydrophobicContact CB-CD1 3.96Å; F654-L657 HydrophobicContact CD1-CD1 3.73Å; F654-L657 HydrophobicContact CG-CD1 4.26Å; F654-L657 VanDerWaalsContact O-CA 3.31Å; F654-L657 WeakPolarHBondContact O-CA 3.34Å; F654-L657 WeakPolarHBondContact O-CB 3.4Å; F654-L657 PolarHBondContact O-N 2.76Å; Q655-L657 PolarHBondContact O-N 3.24Å; L657-L659 PolarHBondContact O-N 3.43Å; L657-C660 WeakPolarHBondContact O-CB 3.36Å; L657-C660 PolarHBondContact O-N 3.2Å; L657-R661 PolarHBondContact O-N 3.22Å; L657-A671 HydrophobicContact CD1-CB 3.61Å; L657-A671 HydrophobicContact CD2-CB 3.66Å; L657-A671 HydrophobicContact CG-CB 4.22Å; L657-M682 HydrophobicContact CD2-CE 3.53Å; L657-M682 HydrophobicContact CD2-CG 4.44Å; L657-M682 HydrophobicContact CD2-SD 3.42Å; L657-M682 WeakPolarHBondContact CD2-SD 3.31Å
658	F	32.4	Very low	38.5	Very low	33 Å²	33	36 Å²	36	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-31.3	172.1	-161.1	-89.8	0	0	0	111.3	I601 F654 Q655 R661 S662 T720	I601-F658 HydrophobicContact CG2-CB 4.37Å; I601-F658 HydrophobicContact CG2-CD2 4.35Å; I601-F658 WeakPolarHBondContact O-CD2 3.24Å; I601-F658 WeakPolarHBondContact O-CE2 3.49Å; F654-F658 PolarHBondContact O-N 2.81Å; Q655-F658 PolarHBondContact O-N 3.39Å; Q655-F658 VanDerWaalsContact O-N 3.14Å; F658-R661 PolarHBondContact O-N 3.35Å; F658-S662 PolarHBondContact O-N 3Å; F658-S662 PolarHBondContact O-OG 3.14Å; F658-T720 HydrophobicContact CD1-CG2 4.3Å
659	L	33.1	Very low	37.2	Very low	25 Å²	25	38.3 Å²	38.3	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-73.7	-36.5	172.8	-73.6	161.8	0	0	0	112.5	Q655 P656 L657 R661 S662 S663 H713 V717 L749	Q655-L659 PolarHBondContact O-N 2.9Å; P656-L659 PolarHBondContact O-N 3.33Å; L657-L659 PolarHBondContact O-N 3.43Å; L659-R661 VanDerWaalsContact C-N 3.35Å; L659-S662 WeakPolarHBondContact O-CB 3.49Å; L659-S662 PolarHBondContact O-N 2.72Å; L659-S663 PolarHBondContact O-N 3.33Å; L659-S663 VanDerWaalsContact O-N 3.17Å; L659-H713 PolarHBondContact O-CE1 3.35Å; L659-V717 HydrophobicContact CD1-CG1 4.46Å; L659-V717 HydrophobicContact CD2-CB 4.12Å; L659-V717 HydrophobicContact CD2-CG1 4.29Å; L659-V717 HydrophobicContact CD2-CG2 3.23Å; L659-L749 HydrophobicContact CD1-CD2 3.03Å; L659-L749 HydrophobicContact CD1-CG 4.5Å; L659-L749 HydrophobicContact CG-CD2 4.36Å
660	C	29.9	Very low	35.6	Very low	19 Å²	19	39.2 Å²	39.2	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-47.4	164.6	-68.2	0	0	0	0	111.1	P656 L657 S662 S663 M666 L753	P656-C660 PolarHBondContact O-N 2.61Å; P656-C660 PolarHBondContact O-SG 3.21Å; P656-C660 VanDerWaalsContact O-SG 3.35Å; L657-C660 WeakPolarHBondContact O-CB 3.36Å; L657-C660 PolarHBondContact O-N 3.2Å; C660-S662 PolarHBondContact O-N 2.95Å; C660-S663 WeakPolarHBondContact O-CA 3.47Å; C660-S663 WeakPolarHBondContact O-CB 3.44Å; C660-S663 PolarHBondContact O-N 3.17Å; C660-M666 HydrophobicContact CB-CB 4.13Å; C660-M666 HydrophobicContact CB-SD 3.74Å; C660-M666 VanDerWaalsContact O-CB 3.27Å; C660-M666 WeakPolarHBondContact O-CB 3.27Å; C660-L753 WeakPolarHBondContact SG-CD2 3.36Å
661	R	26.9	Very low	34.4	Very low	63 Å²	63	40.7 Å²	40.7	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-27.3	176.8	-75.4	-179	151.6	-175.9	-10.9	113.9	L657 F658 L659 S663 R667 W669	L657-R661 PolarHBondContact O-N 3.22Å; F658-R661 PolarHBondContact O-N 3.35Å; L659-R661 VanDerWaalsContact C-N 3.35Å; R661-S663 VanDerWaalsContact C-N 3.32Å; R661-R667 WeakPolarHBondContact O-CG 3.22Å; R661-W669 PolarHBondContact NE-O 3.41Å; R661-W669 PolarHBondContact NH2-O 2.69Å
662	S	29.3	Very low	33.3	Very low	5 Å²	5	43.7 Å²	43.7	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-73	-30.1	174.8	-60	0	0	0	0	111.8	F658 L659 C660 H713 R716	F658-S662 PolarHBondContact O-N 3Å; F658-S662 PolarHBondContact O-OG 3.14Å; L659-S662 WeakPolarHBondContact O-CB 3.49Å; L659-S662 PolarHBondContact O-N 2.72Å; C660-S662 PolarHBondContact O-N 2.95Å; S662-H713 VanDerWaalsContact C-NE2 3.26Å; S662-H713 WeakPolarHBondContact CB-CE1 3.33Å; S662-H713 PolarHBondContact O-NE2 2.72Å; S662-R716 PolarHBondContact O-NH1 2.79Å
663	S	28.6	Very low	32.1	Very low	31 Å²	31	46.8 Å²	46.8	22%	0.217	23%	0.232	C	C	.	.	S	Bend	trans	-63.3	128.1	173.3	177.5	0	0	0	0	109.2	L659 C660 R661 H665 M666 R667 H713	L659-S663 PolarHBondContact O-N 3.33Å; L659-S663 VanDerWaalsContact O-N 3.17Å; C660-S663 WeakPolarHBondContact O-CA 3.47Å; C660-S663 WeakPolarHBondContact O-CB 3.44Å; C660-S663 PolarHBondContact O-N 3.17Å; R661-S663 VanDerWaalsContact C-N 3.32Å; S663-H665 PolarHBondContact O-N 2.87Å; S663-H665 PolarHBondContact OG-N 3.5Å; S663-M666 PolarHBondContact O-N 2.9Å; S663-R667 PolarHBondContact O-N 3.33Å; S663-H713 WeakPolarHBondContact CA-NE2 2.86Å; S663-H713 PolarHBondContact N-CE1 3.08Å; S663-H713 VanDerWaalsContact N-CE1 3.35Å; S663-H713 PolarHBondContact N-NE2 3.36Å
664	P	26.7	Very low	31	Very low	71 Å²	71	47 Å²	47	46%	0.461	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-51.3	-29.8	175.4	-23.6	32.1	0	0	0	113.2	M666	P664-M666 VanDerWaalsContact C-N 3.33Å; P664-M666 PolarHBondContact O-N 2.76Å
665	H	27.4	Very low	30.3	Very low	137 Å²	137	48.6 Å²	48.6	63%	0.634	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-77.2	-12.6	-177.1	-56	-66.9	0	0	0	114.7	S663	S663-H665 PolarHBondContact O-N 2.87Å; S663-H665 PolarHBondContact OG-N 3.5Å
666	M	27.1	Very low	29.7	Very low	48 Å²	48	52 Å²	52	24%	0.236	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-133.5	16.3	-175.8	-75.1	-174.5	166	0	0	113.1	C660 S663 P664 T668 W669	C660-M666 HydrophobicContact CB-CB 4.13Å; C660-M666 HydrophobicContact CB-SD 3.74Å; C660-M666 VanDerWaalsContact O-CB 3.27Å; C660-M666 WeakPolarHBondContact O-CB 3.27Å; S663-M666 PolarHBondContact O-N 2.9Å; P664-M666 VanDerWaalsContact C-N 3.33Å; P664-M666 PolarHBondContact O-N 2.76Å; M666-T668 PolarHBondContact O-N 3.27Å; M666-W669 HydrophobicContact CB-CB 4.4Å; M666-W669 HydrophobicContact CB-CG 4.17Å; M666-W669 HydrophobicContact CE-CE3 4.35Å; M666-W669 HydrophobicContact CE-CZ3 4.39Å; M666-W669 HydrophobicContact CG-CD2 4.24Å; M666-W669 HydrophobicContact CG-CG 4.22Å; M666-W669 WeakPolarHBondContact O-CB 3.07Å; M666-W669 PolarHBondContact O-N 3.47Å; M666-W669 VanDerWaalsContact O-N 3.09Å
667	R	25.9	Very low	29.6	Very low	140 Å²	140	55.7 Å²	55.7	53%	0.528	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.2	176.4	-84.2	174.9	-171.3	-172.8	5.9	113.3	R661 S663 W669	R661-R667 WeakPolarHBondContact O-CG 3.22Å; S663-R667 PolarHBondContact O-N 3.33Å; R667-W669 VanDerWaalsContact C-N 3.28Å; R667-W669 PolarHBondContact O-N 3.18Å
668	T	27	Very low	29.3	Very low	45 Å²	45	57.7 Å²	57.7	28%	0.276	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.3	179.8	52.4	0	0	0	0	113	M666 E684 M685	M666-T668 PolarHBondContact O-N 3.27Å; T668-E684 CarbonylContact O-C 3.52Å; T668-E684 WeakPolarHBondContact O-CA 3.4Å; T668-E684 PolarHBondContact OG1-OE1 2.9Å; T668-M685 PolarHBondContact O-N 2.83Å
669	W	29.3	Very low	29.1	Very low	78 Å²	78	63.4 Å²	63.4	30%	0.295	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130	-170.3	-65.7	47.3	0	0	0	111.7	R661 M666 R667 M682	R661-W669 PolarHBondContact NE-O 3.41Å; R661-W669 PolarHBondContact NH2-O 2.69Å; M666-W669 HydrophobicContact CB-CB 4.4Å; M666-W669 HydrophobicContact CB-CG 4.17Å; M666-W669 HydrophobicContact CE-CE3 4.35Å; M666-W669 HydrophobicContact CE-CZ3 4.39Å; M666-W669 HydrophobicContact CG-CD2 4.24Å; M666-W669 HydrophobicContact CG-CG 4.22Å; M666-W669 WeakPolarHBondContact O-CB 3.07Å; M666-W669 PolarHBondContact O-N 3.47Å; M666-W669 VanDerWaalsContact O-N 3.09Å; R667-W669 VanDerWaalsContact C-N 3.28Å; R667-W669 PolarHBondContact O-N 3.18Å; W669-M682 HydrophobicContact CB-CE 3.61Å; W669-M682 HydrophobicContact CE3-CB 3.71Å; W669-M682 HydrophobicContact CE3-CE 3.95Å; W669-M682 HydrophobicContact CE3-CG 4.4Å; W669-M682 HydrophobicContact CE3-SD 3.91Å; W669-M682 HydrophobicContact CG-CE 4.49Å; W669-M682 HydrophobicContact CZ3-CB 3.84Å
670	T	28.7	Very low	29	Very low	21 Å²	21	65 Å²	65	13%	0.129	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.8	161.7	30	0	0	0	0	109.8	M682 T683 M685	T670-M682 CarbonylContact O-C 3.54Å; T670-M682 WeakPolarHBondContact O-CA 3.42Å; T670-M682 WeakPolarHBondContact O-CE 3.11Å; T670-T683 WeakPolarHBondContact CA-O 3.49Å; T670-T683 PolarHBondContact N-O 2.98Å; T670-T683 PolarHBondContact O-N 2.96Å; T670-T683 VanDerWaalsContact O-O 3.06Å; T670-T683 PolarHBondContact OG1-O 3.49Å; T670-M685 HydrophobicContact CG2-CB 4.17Å; T670-M685 HydrophobicContact CG2-CE 4.43Å; T670-M685 HydrophobicContact CG2-CG 3.68Å; T670-M685 WeakPolarHBondContact OG1-CG 3.06Å
671	A	31.2	Very low	28.9	Very low	31 Å²	31	65.5 Å²	65.5	26%	0.256	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115	160.4	0	0	0	0	0	107.6	L657 V680 M682	L657-A671 HydrophobicContact CD1-CB 3.61Å; L657-A671 HydrophobicContact CD2-CB 3.66Å; L657-A671 HydrophobicContact CG-CB 4.22Å; A671-V680 HydrophobicContact CB-CG1 3.78Å; A671-M682 HydrophobicContact CB-CE 4.09Å
672	E	28.9	Very low	29.1	Very low	65 Å²	65	65.4 Å²	65.4	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.4	164.2	-87	-174.2	160.7	0	0	108.7	Y561 S674 T681	Y561-E672 PolarHBondContact OH-OE1 3.46Å; E672-S674 PolarHBondContact O-N 3.11Å; E672-T681 PolarHBondContact N-O 3.18Å; E672-T681 PolarHBondContact O-N 3.29Å
673	W	29.9	Very low	29.1	Very low	69 Å²	69	67.7 Å²	67.7	26%	0.261	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119	158.5	-177	75.8	0	0	0	108.1	L596 I675	L596-W673 WeakPolarHBondContact CD2-O 3.47Å; W673-I675 HydrophobicContact CE3-CG1 3.93Å; W673-I675 HydrophobicContact CH2-CB 4.36Å; W673-I675 HydrophobicContact CH2-CD1 3.73Å; W673-I675 HydrophobicContact CH2-CG1 3.09Å; W673-I675 HydrophobicContact CZ2-CG1 3.81Å; W673-I675 HydrophobicContact CZ3-CB 4.5Å; W673-I675 HydrophobicContact CZ3-CD1 3.61Å; W673-I675 HydrophobicContact CZ3-CG1 3.15Å
674	S	30.5	Very low	29.1	Very low	15 Å²	15	71.9 Å²	71.9	11%	0.105	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115	176.2	170.8	0	0	0	0	108.8	E672 S676 K677 N678	E672-S674 PolarHBondContact O-N 3.11Å; S674-S676 PolarHBondContact O-N 2.89Å; S674-S676 PolarHBondContact OG-N 2.65Å; S674-S676 PolarHBondContact OG-OG 3Å; S674-K677 CarbonylContact O-C 3.5Å; S674-K677 PolarHBondContact O-N 2.86Å; S674-K677 PolarHBondContact OG-N 2.87Å; S674-N678 PolarHBondContact O-N 3.33Å
675	I	30.3	Very low	29.2	Very low	56 Å²	56	72.7 Å²	72.7	29%	0.287	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-52.5	-42.3	171.9	-70.4	172.1	0	0	0	110.4	W673 K677 N678	W673-I675 HydrophobicContact CE3-CG1 3.93Å; W673-I675 HydrophobicContact CH2-CB 4.36Å; W673-I675 HydrophobicContact CH2-CD1 3.73Å; W673-I675 HydrophobicContact CH2-CG1 3.09Å; W673-I675 HydrophobicContact CZ2-CG1 3.81Å; W673-I675 HydrophobicContact CZ3-CB 4.5Å; W673-I675 HydrophobicContact CZ3-CD1 3.61Å; W673-I675 HydrophobicContact CZ3-CG1 3.15Å; I675-K677 PolarHBondContact O-N 2.73Å; I675-N678 PolarHBondContact O-N 3.38Å; I675-N678 VanDerWaalsContact O-N 3.17Å; I675-N678 PolarHBondContact O-OD1 2.88Å
676	S	32	Very low	29.5	Very low	76 Å²	76	72.3 Å²	72.3	53%	0.531	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-68.7	-21.2	-177.9	57.4	0	0	0	0	113.2	R557 S674	R557-S676 VanDerWaalsContact NH1-CB 3.27Å; R557-S676 PolarHBondContact NH1-OG 3.48Å; S674-S676 PolarHBondContact O-N 2.89Å; S674-S676 PolarHBondContact OG-N 2.65Å; S674-S676 PolarHBondContact OG-OG 3Å
677	K	32.8	Very low	29.6	Very low	111 Å²	111	76.8 Å²	76.8	48%	0.483	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-99.9	-7.6	175.9	-61.7	-177.6	177.2	173.1	0	112.6	S674 I675 R679	S674-K677 CarbonylContact O-C 3.5Å; S674-K677 PolarHBondContact O-N 2.86Å; S674-K677 PolarHBondContact OG-N 2.87Å; I675-K677 PolarHBondContact O-N 2.73Å; K677-R679 HydrophobicContact CB-CG 3.85Å; K677-R679 WeakPolarHBondContact O-CG 3.49Å; K677-R679 PolarHBondContact O-N 3.04Å
678	N	26.7	Very low	29.5	Very low	72 Å²	72	75.3 Å²	75.3	39%	0.385	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	31.5	-175.4	-92.9	14.6	0	0	0	114.2	E619 S674 I675	E619-N678 VanDerWaalsContact OE1-CG 3.31Å; E619-N678 PolarHBondContact OE1-ND2 3.35Å; E619-N678 PolarHBondContact OE1-OD1 3.12Å; S674-N678 PolarHBondContact O-N 3.33Å; I675-N678 PolarHBondContact O-N 3.38Å; I675-N678 VanDerWaalsContact O-N 3.17Å; I675-N678 PolarHBondContact O-OD1 2.88Å
679	R	28.4	Very low	29.4	Very low	154 Å²	154	82.4 Å²	82.4	58%	0.581	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.7	-178.8	66.8	-169.9	166.2	176.1	-7.8	110.2	K677 T681	K677-R679 HydrophobicContact CB-CG 3.85Å; K677-R679 WeakPolarHBondContact O-CG 3.49Å; K677-R679 PolarHBondContact O-N 3.04Å; R679-T681 PolarHBondContact O-N 2.97Å
680	V	31	Very low	29.1	Very low	58 Å²	58	86.2 Å²	86.2	35%	0.352	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	114.1	161.1	175.9	0	0	0	0	106.3	A671	A671-V680 HydrophobicContact CB-CG1 3.78Å
681	T	29.3	Very low	28.8	Very low	29 Å²	29	90.3 Å²	90.3	18%	0.178	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.1	172.7	-35.6	0	0	0	0	106.3	E672 R679 T683	E672-T681 PolarHBondContact N-O 3.18Å; E672-T681 PolarHBondContact O-N 3.29Å; R679-T681 PolarHBondContact O-N 2.97Å; T681-T683 HydrophobicContact CG2-CG2 4.5Å; T681-T683 PolarHBondContact O-N 2.79Å
682	M	30	Very low	28.3	Very low	62 Å²	62	94.2 Å²	94.2	31%	0.305	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	109	168.5	-74.9	-121.1	65.2	0	0	107.7	L657 W669 T670 A671	L657-M682 HydrophobicContact CD2-CE 3.53Å; L657-M682 HydrophobicContact CD2-CG 4.44Å; L657-M682 HydrophobicContact CD2-SD 3.42Å; L657-M682 WeakPolarHBondContact CD2-SD 3.31Å; W669-M682 HydrophobicContact CB-CE 3.61Å; W669-M682 HydrophobicContact CE3-CB 3.71Å; W669-M682 HydrophobicContact CE3-CE 3.95Å; W669-M682 HydrophobicContact CE3-CG 4.4Å; W669-M682 HydrophobicContact CE3-SD 3.91Å; W669-M682 HydrophobicContact CG-CE 4.49Å; W669-M682 HydrophobicContact CZ3-CB 3.84Å; T670-M682 CarbonylContact O-C 3.54Å; T670-M682 WeakPolarHBondContact O-CA 3.42Å; T670-M682 WeakPolarHBondContact O-CE 3.11Å; A671-M682 HydrophobicContact CB-CE 4.09Å
683	T	29.4	Very low	28	Very low	53 Å²	53	97.9 Å²	97.9	33%	0.325	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.8	177.4	21.5	0	0	0	0	108.1	T670 T681 M685	T670-T683 WeakPolarHBondContact CA-O 3.49Å; T670-T683 PolarHBondContact N-O 2.98Å; T670-T683 PolarHBondContact O-N 2.96Å; T670-T683 VanDerWaalsContact O-O 3.06Å; T670-T683 PolarHBondContact OG1-O 3.49Å; T681-T683 HydrophobicContact CG2-CG2 4.5Å; T681-T683 PolarHBondContact O-N 2.79Å; T683-M685 PolarHBondContact O-N 3.06Å
684	E	28.9	Very low	27.6	Very low	119 Å²	119	101.3 Å²	101.3	56%	0.556	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.1	167.1	-171.7	165.7	-152.9	0	0	108	T668	T668-E684 CarbonylContact O-C 3.52Å; T668-E684 WeakPolarHBondContact O-CA 3.4Å; T668-E684 PolarHBondContact OG1-OE1 2.9Å
685	M	28	Very low	27.3	Very low	88 Å²	88	107.5 Å²	107.5	43%	0.433	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-99.8	141.3	174.9	-92.2	-89.4	-141.5	0	0	109.3	T668 T670 T683	T668-M685 PolarHBondContact O-N 2.83Å; T670-M685 HydrophobicContact CG2-CB 4.17Å; T670-M685 HydrophobicContact CG2-CE 4.43Å; T670-M685 HydrophobicContact CG2-CG 3.68Å; T670-M685 WeakPolarHBondContact OG1-CG 3.06Å; T683-M685 PolarHBondContact O-N 3.06Å
686	D	34.5	Very low	26.9	Very low	129 Å²	129	110.9 Å²	110.9	69%	0.69	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58	140.8	168.3	-65.5	-49.2	0	0	0	110.4	V688	D686-V688 PolarHBondContact O-N 2.98Å
687	D	29.4	Very low	26.4	Very low	142 Å²	142	109.7 Å²	109.7	76%	0.759	58%	0.576	S	S	*	*			trans	-50.7	104.3	-179.8	-90.7	-34.3	0	0	0	110.7	E689	D687-E689 PolarHBondContact O-N 2.9Å
688	V	24.4	Very low	26	Very low	109 Å²	109	111.8 Å²	111.8	66%	0.661	59%	0.587	S	S	*	*			trans	-64.5	118.3	148	-176.1	0	0	0	0	104	D686 R690	D686-V688 PolarHBondContact O-N 2.98Å; V688-R690 WeakPolarHBondContact O-CG 3.41Å; V688-R690 PolarHBondContact O-N 2.91Å
689	E	24.1	Very low	25.9	Very low	194 Å²	194	112.9 Å²	112.9	91%	0.907	60%	0.6	S	S	*	*			trans	-55.6	77.1	175.8	-161.1	179.1	-149.1	0	0	109.2	D687 S691	D687-E689 PolarHBondContact O-N 2.9Å; E689-S691 PolarHBondContact O-N 2.99Å
690	R	22.8	Very low	25.8	Very low	157 Å²	157	109.8 Å²	109.8	59%	0.592	59%	0.592	S	S	*	*			trans	-74.6	122.3	-178.4	-77.3	-175.4	-178.4	-147.6	-5.9	105.6	V688 P692	V688-R690 WeakPolarHBondContact O-CG 3.41Å; V688-R690 PolarHBondContact O-N 2.91Å; R690-P692 VanDerWaalsContact O-N 3.12Å
691	S	21.8	Very low	25.5	Very low	107 Å²	107	111.8 Å²	111.8	75%	0.748	60%	0.601	S	S	*	*			trans	-44.6	125.8	171.2	-52.1	0	0	0	0	107.6	E689 M693	E689-S691 PolarHBondContact O-N 2.99Å; S691-M693 PolarHBondContact O-N 3.05Å
692	P	21.9	Very low	25.3	Very low	113 Å²	113	120.3 Å²	120.3	73%	0.734	63%	0.63	S	S	*	*			trans	-48	116.6	-178.2	17.7	-30.3	0	0	0	106.2	R690 L694	R690-P692 VanDerWaalsContact O-N 3.12Å; P692-L694 VanDerWaalsContact C-N 3.31Å; P692-L694 WeakPolarHBondContact O-CA 3.28Å; P692-L694 PolarHBondContact O-N 2.8Å
693	M	21.6	Very low	25.1	Very low	142 Å²	142	123.6 Å²	123.6	70%	0.7	64%	0.643	S	S	*	*			trans	-48.1	108.7	178.3	-125.3	-175.1	94.2	0	0	104.4	S691 L695	S691-M693 PolarHBondContact O-N 3.05Å; M693-L695 VanDerWaalsContact C-N 3.35Å; M693-L695 PolarHBondContact O-N 3.19Å
694	L	21.8	Very low	25.1	Very low	142 Å²	142	126.3 Å²	126.3	74%	0.743	66%	0.655	S	S	*	*			trans	-50.9	108.8	-170.3	-95.6	144.8	0	0	0	105	P692 N696	P692-L694 VanDerWaalsContact C-N 3.31Å; P692-L694 WeakPolarHBondContact O-CA 3.28Å; P692-L694 PolarHBondContact O-N 2.8Å; L694-N696 PolarHBondContact O-N 3.36Å
695	L	23.3	Very low	25	Very low	145 Å²	145	122 Å²	122	76%	0.759	64%	0.643	S	S	*	*			trans	-67.3	67.2	170.1	-86.4	145.5	0	0	0	105.4	M693 G697	M693-L695 VanDerWaalsContact C-N 3.35Å; M693-L695 PolarHBondContact O-N 3.19Å; L695-G697 PolarHBondContact O-N 3.48Å
696	N	22.3	Very low	25	Very low	127 Å²	127	120.3 Å²	120.3	68%	0.679	64%	0.639	S	S	*	*			trans	-75.4	52.8	170.1	-75.6	-10.8	0	0	0	107.9	L694	L694-N696 PolarHBondContact O-N 3.36Å
697	G	22.9	Very low	24.6	Very low	50 Å²	50	116 Å²	116	52%	0.515	62%	0.619	S	S	.	*			trans	-122.1	67.9	164.7	0	0	0	0	0	105.6	L695 S699	L695-G697 PolarHBondContact O-N 3.48Å; G697-S699 PolarHBondContact O-N 2.94Å
698	H	22.6	Very low	24.6	Very low	155 Å²	155	112.2 Å²	112.2	72%	0.718	60%	0.601	S	S	*	*			trans	-49	113.5	168.6	-83.5	-68.3	0	0	0	108.6
699	S	25.8	Very low	24.7	Very low	95 Å²	95	114.1 Å²	114.1	66%	0.664	60%	0.596	S	S	*	*	S	Bend	trans	59.2	154.3	171.9	44.4	0	0	0	0	115.3	G697 N701	G697-S699 PolarHBondContact O-N 2.94Å; S699-N701 VanDerWaalsContact C-N 3.27Å; S699-N701 PolarHBondContact O-N 3.49Å
700	E	25.7	Very low	24.8	Very low	89 Å²	89	107.4 Å²	107.4	42%	0.416	58%	0.579	S	S	.	*			trans	-51.7	104.7	151.8	-69.7	174.4	155.8	0	0	105.8	W702	E700-W702 VanDerWaalsContact O-CD1 3.28Å; E700-W702 PolarHBondContact O-N 2.69Å; E700-W702 PolarHBondContact OE2-NE1 2.82Å
701	N	25.3	Very low	25	Very low	100 Å²	100	101.6 Å²	101.6	54%	0.535	57%	0.568	S	S	.	*			trans	-71.9	98.8	164.8	-86.5	-18.8	0	0	0	104.7	S699 F703	S699-N701 VanDerWaalsContact C-N 3.27Å; S699-N701 PolarHBondContact O-N 3.49Å; N701-F703 HydrophobicContact CB-CD2 3.57Å; N701-F703 HydrophobicContact CB-CE2 3.64Å; N701-F703 PolarHBondContact O-N 3.22Å
702	W	24.1	Very low	25.4	Very low	209 Å²	209	99.4 Å²	99.4	79%	0.792	55%	0.545	S	S	*	.			trans	-65.1	72.6	170.1	-76.4	64.1	0	0	0	107.8	E700 D704	E700-W702 VanDerWaalsContact O-CD1 3.28Å; E700-W702 PolarHBondContact O-N 2.69Å; E700-W702 PolarHBondContact OE2-NE1 2.82Å; W702-D704 PolarHBondContact O-N 3.41Å
703	F	26.5	Very low	25.9	Very low	130 Å²	130	96.1 Å²	96.1	57%	0.57	52%	0.52	S	S	*	.	B	Isolated β-bridge	trans	-80.8	100	170.4	-86.1	-73.9	0	0	0	107.8	N701 G705 C706	N701-F703 HydrophobicContact CB-CD2 3.57Å; N701-F703 HydrophobicContact CB-CE2 3.64Å; N701-F703 PolarHBondContact O-N 3.22Å; F703-G705 PolarHBondContact O-N 3.33Å; F703-C706 PolarHBondContact O-N 3.18Å
704	D	28.6	Very low	26.5	Very low	111 Å²	111	90.5 Å²	90.5	59%	0.594	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.9	43.3	164.4	-76.1	-28.5	0	0	0	114.7	W702 S804	W702-D704 PolarHBondContact O-N 3.41Å; D704-S804 WeakPolarHBondContact O-CB 3.41Å; D704-S804 PolarHBondContact O-OG 3.43Å
705	G	27.3	Very low	27.2	Very low	28 Å²	28	86.7 Å²	86.7	29%	0.289	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	6.9	172.4	0	0	0	0	0	116.9	F703 N801 S804	F703-G705 PolarHBondContact O-N 3.33Å; G705-N801 WeakPolarHBondContact O-CB 3.42Å; G705-N801 PolarHBondContact O-N 3.46Å; G705-S804 WeakPolarHBondContact CA-OG 3.28Å
706	C	27.2	Very low	27.7	Very low	52 Å²	52	83.6 Å²	83.6	35%	0.351	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.9	159.5	-74.9	0	0	0	0	108.7	F703	F703-C706 PolarHBondContact O-N 3.18Å
707	C	27.5	Very low	28.4	Very low	40 Å²	40	78.2 Å²	78.2	27%	0.27	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129	168.3	70.3	0	0	0	0	110.2	Y799	C707-Y799 PolarHBondContact N-O 3.48Å
708	V	28.8	Very low	29	Very low	62 Å²	62	76 Å²	76	38%	0.376	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.4	163.9	-176.1	0	0	0	0	104.7	G710	V708-G710 PolarHBondContact O-N 2.85Å
709	R	27.5	Very low	29.7	Very low	148 Å²	148	71.3 Å²	71.3	56%	0.558	38%	0.382	S	S	*	.			trans	-65.7	120.7	176.8	-79.6	-175.5	173.3	-178.7	-0.6	108.3	G711 F712	R709-G711 PolarHBondContact O-N 3.48Å; R709-F712 HydrophobicContact CB-CD2 3.59Å; R709-F712 HydrophobicContact CB-CE2 3.4Å; R709-F712 HydrophobicContact CG-CE2 4.26Å; R709-F712 WeakPolarHBondContact O-CD2 3.46Å
710	G	26.1	Very low	30.2	Very low	54 Å²	54	67.8 Å²	67.8	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	134.6	171.7	0	0	0	0	0	110.2	V708	V708-G710 PolarHBondContact O-N 2.85Å
711	G	25.7	Very low	30.7	Very low	35 Å²	35	64.1 Å²	64.1	36%	0.361	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.1	-9.5	175.6	0	0	0	0	0	116.6	R709	R709-G711 PolarHBondContact O-N 3.48Å
712	F	31.6	Very low	31.1	Very low	61 Å²	61	61.4 Å²	61.4	27%	0.268	34%	0.335	S	S	.	.			trans	-79.6	150.5	-177.9	-79.3	-91.5	0	0	0	114.3	R709 L714 H715 R716	R709-F712 HydrophobicContact CB-CD2 3.59Å; R709-F712 HydrophobicContact CB-CE2 3.4Å; R709-F712 HydrophobicContact CG-CE2 4.26Å; R709-F712 WeakPolarHBondContact O-CD2 3.46Å; F712-L714 VanDerWaalsContact C-N 3.3Å; F712-L714 PolarHBondContact O-N 3.49Å; F712-H715 VanDerWaalsContact O-CB 3.27Å; F712-H715 WeakPolarHBondContact O-CB 3.23Å; F712-H715 PolarHBondContact O-N 2.95Å; F712-R716 PolarHBondContact O-N 2.83Å
713	H	32.1	Very low	31.8	Very low	43 Å²	43	53.6 Å²	53.6	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-51.7	-43.5	-176.7	-112.1	-85.4	0	0	0	113.3	L659 S662 S663 H715 R716 V717	L659-H713 PolarHBondContact O-CE1 3.35Å; S662-H713 VanDerWaalsContact C-NE2 3.26Å; S662-H713 WeakPolarHBondContact CB-CE1 3.33Å; S662-H713 PolarHBondContact O-NE2 2.72Å; S663-H713 WeakPolarHBondContact CA-NE2 2.86Å; S663-H713 PolarHBondContact N-CE1 3.08Å; S663-H713 VanDerWaalsContact N-CE1 3.35Å; S663-H713 PolarHBondContact N-NE2 3.36Å; H713-H715 VanDerWaalsContact C-N 3.29Å; H713-H715 PolarHBondContact O-N 3.21Å; H713-R716 CarbonylContact O-C 3.46Å; H713-R716 WeakPolarHBondContact O-CA 3.27Å; H713-R716 WeakPolarHBondContact O-CB 3.41Å; H713-R716 PolarHBondContact O-N 2.9Å; H713-V717 WeakPolarHBondContact O-CG2 3.14Å; H713-V717 PolarHBondContact O-N 3.44Å
714	L	33.6	Very low	32.2	Very low	25 Å²	25	49.8 Å²	49.8	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-56.7	-39.3	177.3	-91.3	157.4	0	0	0	113.3	F712 R716 V717 G718 F742 I795	F712-L714 VanDerWaalsContact C-N 3.3Å; F712-L714 PolarHBondContact O-N 3.49Å; L714-R716 VanDerWaalsContact C-N 3.33Å; L714-V717 PolarHBondContact O-N 3.44Å; L714-G718 PolarHBondContact O-N 2.99Å; L714-F742 HydrophobicContact CD2-CE1 3.37Å; L714-F742 HydrophobicContact CD2-CZ 3.71Å; L714-I795 HydrophobicContact CD1-CB 4.47Å; L714-I795 HydrophobicContact CD1-CG2 3.84Å; L714-I795 WeakPolarHBondContact CD1-O 2.97Å
715	H	35.7	Very low	32.5	Very low	62 Å²	62	51 Å²	51	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.8	-161	-86.3	0	0	0	110.8	F712 H713 S719 Y724	F712-H715 VanDerWaalsContact O-CB 3.27Å; F712-H715 WeakPolarHBondContact O-CB 3.23Å; F712-H715 PolarHBondContact O-N 2.95Å; H713-H715 VanDerWaalsContact C-N 3.29Å; H713-H715 PolarHBondContact O-N 3.21Å; H715-S719 VanDerWaalsContact O-CB 3.3Å; H715-S719 WeakPolarHBondContact O-CB 3.24Å; H715-S719 PolarHBondContact O-N 3.09Å; H715-Y724 PolarHBondContact CD2-OH 2.77Å; H715-Y724 AromaticContact CE1-CZ 3.84Å; H715-Y724 PolarHBondContact CE1-OH 2.87Å; H715-Y724 PolarHBondContact ND1-OH 3.25Å; H715-Y724 PolarHBondContact NE2-OH 2.91Å
716	R	34.5	Very low	32.8	Very low	79 Å²	79	55.8 Å²	55.8	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-47.6	173.3	-58.4	-179.5	-174.1	-169.3	-3.4	110.4	S662 F712 H713 L714 G718 S719 T720	S662-R716 PolarHBondContact O-NH1 2.79Å; F712-R716 PolarHBondContact O-N 2.83Å; H713-R716 CarbonylContact O-C 3.46Å; H713-R716 WeakPolarHBondContact O-CA 3.27Å; H713-R716 WeakPolarHBondContact O-CB 3.41Å; H713-R716 PolarHBondContact O-N 2.9Å; L714-R716 VanDerWaalsContact C-N 3.33Å; R716-G718 PolarHBondContact O-N 3.13Å; R716-S719 WeakPolarHBondContact O-CB 3.39Å; R716-S719 PolarHBondContact O-N 2.81Å; R716-T720 PolarHBondContact O-N 2.73Å; R716-T720 PolarHBondContact O-OG1 3.04Å
717	V	36.3	Very low	33.1	Very low	14 Å²	14	60.4 Å²	60.4	9%	0.085	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-45.9	179.5	-171.6	0	0	0	0	111.6	L659 H713 L714 S719 T720 L721 F742 V746	L659-V717 HydrophobicContact CD1-CG1 4.46Å; L659-V717 HydrophobicContact CD2-CB 4.12Å; L659-V717 HydrophobicContact CD2-CG1 4.29Å; L659-V717 HydrophobicContact CD2-CG2 3.23Å; H713-V717 WeakPolarHBondContact O-CG2 3.14Å; H713-V717 PolarHBondContact O-N 3.44Å; L714-V717 PolarHBondContact O-N 3.44Å; V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 2.92Å; V717-T720 PolarHBondContact O-N 3.08Å; V717-L721 HydrophobicContact CG1-CD1 3.86Å; V717-L721 HydrophobicContact CG1-CG 4.32Å; V717-L721 WeakPolarHBondContact O-CB 3.35Å; V717-L721 WeakPolarHBondContact O-CG 3.44Å; V717-L721 PolarHBondContact O-N 3.36Å; V717-F742 HydrophobicContact CB-CE2 4.45Å; V717-F742 HydrophobicContact CB-CZ 4.29Å; V717-F742 HydrophobicContact CG1-CE2 4.12Å; V717-F742 HydrophobicContact CG1-CZ 4.26Å; V717-V746 HydrophobicContact CG1-CG2 3.87Å
718	G	37.1	Very low	33	Very low	3 Å²	3	61.2 Å²	61.2	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-39.4	176.7	0	0	0	0	0	112.8	L714 R716 L721 G722 F723	L714-G718 PolarHBondContact O-N 2.99Å; R716-G718 PolarHBondContact O-N 3.13Å; G718-L721 PolarHBondContact O-N 2.92Å; G718-G722 PolarHBondContact O-N 3.21Å; G718-F723 PolarHBondContact O-N 3.29Å; G718-F723 VanDerWaalsContact O-N 3.14Å
719	S	37.3	Very low	33.2	Very low	57 Å²	57	63.1 Å²	63.1	40%	0.399	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-51.7	172.9	178.4	0	0	0	0	111.3	H715 R716 V717 L721 G722 Y724	H715-S719 VanDerWaalsContact O-CB 3.3Å; H715-S719 WeakPolarHBondContact O-CB 3.24Å; H715-S719 PolarHBondContact O-N 3.09Å; R716-S719 WeakPolarHBondContact O-CB 3.39Å; R716-S719 PolarHBondContact O-N 2.81Å; V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 2.92Å; S719-L721 VanDerWaalsContact C-N 3.26Å; S719-L721 PolarHBondContact O-N 3.48Å; S719-G722 PolarHBondContact O-N 3.07Å; S719-G722 VanDerWaalsContact O-N 3.08Å; S719-Y724 VanDerWaalsContact CB-CE2 3.45Å
720	T	36.5	Very low	33.5	Very low	22 Å²	22	59 Å²	59	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-25.4	179.8	-32.9	0	0	0	0	112.3	P608 V651 Q655 F658 R716 V717 G722	P608-T720 WeakPolarHBondContact CD-O 3.23Å; P608-T720 VanDerWaalsContact CG-O 3.25Å; P608-T720 WeakPolarHBondContact CG-O 3.06Å; V651-T720 HydrophobicContact CG1-CG2 4.14Å; Q655-T720 HydrophobicContact CG-CG2 4.02Å; Q655-T720 VanDerWaalsContact NE2-C 3.27Å; Q655-T720 PolarHBondContact NE2-O 3.41Å; F658-T720 HydrophobicContact CD1-CG2 4.3Å; R716-T720 PolarHBondContact O-N 2.73Å; R716-T720 PolarHBondContact O-OG1 3.04Å; V717-T720 PolarHBondContact O-N 3.08Å; T720-G722 PolarHBondContact O-N 2.88Å
721	L	35.1	Very low	33.8	Very low	12 Å²	12	57.9 Å²	57.9	6%	0.063	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.5	175.5	-73	175.7	0	0	0	113.8	V717 G718 S719 F723 F742	V717-L721 HydrophobicContact CG1-CD1 3.86Å; V717-L721 HydrophobicContact CG1-CG 4.32Å; V717-L721 WeakPolarHBondContact O-CB 3.35Å; V717-L721 WeakPolarHBondContact O-CG 3.44Å; V717-L721 PolarHBondContact O-N 3.36Å; G718-L721 PolarHBondContact O-N 2.92Å; S719-L721 VanDerWaalsContact C-N 3.26Å; S719-L721 PolarHBondContact O-N 3.48Å; L721-F723 HydrophobicContact CB-CD2 3.64Å; L721-F723 HydrophobicContact CB-CE2 3.73Å; L721-F723 HydrophobicContact CD1-CE2 4.27Å; L721-F742 HydrophobicContact CD1-CD2 3.85Å; L721-F742 HydrophobicContact CD1-CE2 3.8Å
722	G	34.8	Very low	34.2	Very low	42 Å²	42	63.5 Å²	63.5	43%	0.433	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	22.7	175.2	0	0	0	0	0	114.4	G718 S719 T720 Y724	G718-G722 PolarHBondContact O-N 3.21Å; S719-G722 PolarHBondContact O-N 3.07Å; S719-G722 VanDerWaalsContact O-N 3.08Å; T720-G722 PolarHBondContact O-N 2.88Å; G722-Y724 VanDerWaalsContact C-N 3.26Å; G722-Y724 PolarHBondContact O-N 2.76Å
723	F	36.8	Very low	34.4	Very low	45 Å²	45	62.3 Å²	62.3	20%	0.197	35%	0.346	C	S	.	.			trans	-83.4	5.8	177.8	-72.7	-76.6	0	0	0	113.9	G718 L721 P731 F742	G718-F723 PolarHBondContact O-N 3.29Å; G718-F723 VanDerWaalsContact O-N 3.14Å; L721-F723 HydrophobicContact CB-CD2 3.64Å; L721-F723 HydrophobicContact CB-CE2 3.73Å; L721-F723 HydrophobicContact CD1-CE2 4.27Å; F723-P731 HydrophobicContact CB-CB 4.42Å; F723-P731 WeakPolarHBondContact O-CB 3.2Å; F723-F742 AromaticContact CD2-CD2 3.86Å; F723-F742 HydrophobicContact CD2-CD2 3.86Å; F723-F742 HydrophobicContact CD2-CE2 4.48Å; F723-F742 HydrophobicContact CE2-CB 4.33Å; F723-F742 AromaticContact CE2-CD2 3.73Å; F723-F742 HydrophobicContact CE2-CD2 3.73Å; F723-F742 HydrophobicContact CZ-CB 4.41Å
724	Y	36.7	Very low	34.3	Very low	50 Å²	50	66.6 Å²	66.6	20%	0.196	37%	0.369	C	S	.	.	S	Bend	trans	-85.9	142.4	176	-84.1	-102.8	0	0	0	111.5	H715 S719 G722 D729 P731	H715-Y724 PolarHBondContact CD2-OH 2.77Å; H715-Y724 AromaticContact CE1-CZ 3.84Å; H715-Y724 PolarHBondContact CE1-OH 2.87Å; H715-Y724 PolarHBondContact ND1-OH 3.25Å; H715-Y724 PolarHBondContact NE2-OH 2.91Å; S719-Y724 VanDerWaalsContact CB-CE2 3.45Å; G722-Y724 VanDerWaalsContact C-N 3.26Å; G722-Y724 PolarHBondContact O-N 2.76Å; Y724-D729 WeakPolarHBondContact CD1-O 2.92Å; Y724-D729 WeakPolarHBondContact CE1-O 3.41Å; Y724-P731 HydrophobicContact CE2-CG 4.4Å
725	E	34	Very low	34.2	Very low	136 Å²	136	67.4 Å²	67.4	64%	0.636	38%	0.377	S	S	*	.			trans	-68.2	150.5	156.2	-74.4	-163.5	165.8	0	0	109.7	D727 G728	E725-D727 PolarHBondContact O-N 3.04Å; E725-G728 PolarHBondContact O-N 3.32Å
726	P	33.6	Very low	33.9	Very low	130 Å²	130	67.3 Å²	67.3	84%	0.844	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-20.5	-170.7	-25.9	33.5	0	0	0	116.2
727	D	32.8	Very low	33.8	Very low	148 Å²	148	70.4 Å²	70.4	79%	0.791	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	11.9	-171	-66.8	-26.7	0	0	0	114.4	E725 D729	E725-D727 PolarHBondContact O-N 3.04Å; D727-D729 VanDerWaalsContact C-N 3.31Å; D727-D729 PolarHBondContact O-N 3.22Å
728	G	27.3	Very low	33.8	Very low	57 Å²	57	73.2 Å²	73.2	59%	0.588	42%	0.418	S	S	*	.			trans	80.7	8.9	174.8	0	0	0	0	0	114.7	E725	E725-G728 PolarHBondContact O-N 3.32Å
729	D	31.9	Very low	33.7	Very low	102 Å²	102	75.4 Å²	75.4	55%	0.545	43%	0.428	S	S	.	.			trans	-71.3	139.9	174.4	-83.1	-29.2	0	0	0	111.8	Y724 D727	Y724-D729 WeakPolarHBondContact CD1-O 2.92Å; Y724-D729 WeakPolarHBondContact CE1-O 3.41Å; D727-D729 VanDerWaalsContact C-N 3.31Å; D727-D729 PolarHBondContact O-N 3.22Å
730	T	33.3	Very low	33.6	Very low	61 Å²	61	76 Å²	76	37%	0.374	43%	0.431	S	S	.	.			trans	-47.7	137.4	173.5	14	0	0	0	0	111.1	F732	T730-F732 PolarHBondContact O-N 3.02Å
731	P	33.5	Very low	33.5	Very low	31 Å²	31	78.9 Å²	78.9	20%	0.201	45%	0.445	C	S	.	.			trans	-55.5	109.2	179.5	20.4	-32.5	0	0	0	110.6	F723 Y724 F733	F723-P731 HydrophobicContact CB-CB 4.42Å; F723-P731 WeakPolarHBondContact O-CB 3.2Å; Y724-P731 HydrophobicContact CE2-CG 4.4Å; P731-F733 VanDerWaalsContact C-N 3.35Å; P731-F733 HydrophobicContact CB-CD2 4.35Å; P731-F733 HydrophobicContact CB-CE1 4.38Å; P731-F733 HydrophobicContact CB-CE2 3.85Å; P731-F733 HydrophobicContact CB-CZ 3.87Å; P731-F733 HydrophobicContact CG-CE2 3.79Å; P731-F733 HydrophobicContact CG-CZ 3.96Å; P731-F733 WeakPolarHBondContact O-CD2 3.35Å; P731-F733 PolarHBondContact O-N 3.32Å; P731-F733 VanDerWaalsContact O-N 3.1Å
732	F	34.2	Very low	33.7	Very low	154 Å²	154	79.1 Å²	79.1	68%	0.675	45%	0.445	S	S	*	.			trans	-75	91.4	165.1	-105.1	-90.1	0	0	0	107.3	T730 L734	T730-F732 PolarHBondContact O-N 3.02Å; F732-L734 VanDerWaalsContact C-N 3.35Å; F732-L734 PolarHBondContact O-N 2.93Å
733	F	34.8	Very low	33.8	Very low	36 Å²	36	78.9 Å²	78.9	16%	0.158	44%	0.435	C	S	.	.			trans	-67.2	97.4	169.6	-60.8	-79	0	0	0	108.3	P731 S735 E738 M739 W798	P731-F733 VanDerWaalsContact C-N 3.35Å; P731-F733 HydrophobicContact CB-CD2 4.35Å; P731-F733 HydrophobicContact CB-CE1 4.38Å; P731-F733 HydrophobicContact CB-CE2 3.85Å; P731-F733 HydrophobicContact CB-CZ 3.87Å; P731-F733 HydrophobicContact CG-CE2 3.79Å; P731-F733 HydrophobicContact CG-CZ 3.96Å; P731-F733 WeakPolarHBondContact O-CD2 3.35Å; P731-F733 PolarHBondContact O-N 3.32Å; P731-F733 VanDerWaalsContact O-N 3.1Å; F733-S735 PolarHBondContact O-N 3.38Å; F733-E738 HydrophobicContact CD1-CB 4.12Å; F733-M739 HydrophobicContact CB-CE 4.18Å; F733-M739 HydrophobicContact CB-CG 3.91Å; F733-M739 HydrophobicContact CD1-CG 4.08Å; F733-M739 HydrophobicContact CD2-CE 4.14Å; F733-M739 HydrophobicContact CD2-CG 4.36Å; F733-M739 HydrophobicContact CG-CE 4.33Å; F733-M739 HydrophobicContact CG-CG 3.86Å; F733-W798 AromaticContact CD2-CH2 3.87Å; F733-W798 HydrophobicContact CD2-CH2 3.87Å; F733-W798 HydrophobicContact CD2-CZ2 4.31Å; F733-W798 AromaticContact CE2-CH2 3.91Å; F733-W798 HydrophobicContact CE2-CH2 3.91Å; F733-W798 AromaticContact CE2-CZ2 3.88Å; F733-W798 HydrophobicContact CE2-CZ2 3.88Å
734	L	31.4	Very low	33.7	Very low	132 Å²	132	86 Å²	86	69%	0.691	46%	0.46	S	S	*	.			trans	-74.1	-13.8	178.7	-75	165.3	0	0	0	111.4	F732 E738	F732-L734 VanDerWaalsContact C-N 3.35Å; F732-L734 PolarHBondContact O-N 2.93Å; L734-E738 PolarHBondContact N-OE2 3.2Å
735	S	30.3	Very low	33.7	Very low	42 Å²	42	87 Å²	87	29%	0.294	46%	0.464	S	S	.	.			trans	-139.2	148	-179.7	76.1	0	0	0	0	115.1	F733 E737 E738 M739	F733-S735 PolarHBondContact O-N 3.38Å; S735-E737 PolarHBondContact O-N 3.13Å; S735-E738 PolarHBondContact N-OE2 3.48Å; S735-E738 VanDerWaalsContact N-OE2 3.16Å; S735-E738 PolarHBondContact O-N 2.76Å; S735-E738 WeakPolarHBondContact OG-CG 3.31Å; S735-E738 PolarHBondContact OG-N 3.1Å; S735-E738 PolarHBondContact OG-OE2 3.46Å; S735-M739 PolarHBondContact O-N 3.33Å
736	A	30.5	Very low	33.7	Very low	61 Å²	61	82.9 Å²	82.9	50%	0.504	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-21.8	170.7	0	0	0	0	0	112.9	S740	A736-S740 WeakPolarHBondContact O-CB 3.2Å; A736-S740 PolarHBondContact O-N 3.24Å
737	E	31.5	Very low	33.8	Very low	144 Å²	144	77.9 Å²	77.9	67%	0.673	42%	0.418	S	S	*	.	H	α-helix	trans	-69.3	-45.7	178.7	-170.3	170.8	-171.3	0	0	111.1	S735 M739 S740 M741	S735-E737 PolarHBondContact O-N 3.13Å; E737-M739 PolarHBondContact O-N 3.42Å; E737-S740 PolarHBondContact O-N 3.33Å; E737-S740 VanDerWaalsContact O-N 3.16Å; E737-S740 PolarHBondContact O-OG 2.95Å; E737-M741 PolarHBondContact O-N 2.95Å
738	E	37.1	Very low	33.7	Very low	73 Å²	73	75 Å²	75	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.4	-70.3	160.6	147	0	0	111.7	F733 L734 S735 S740 M741 F742	F733-E738 HydrophobicContact CD1-CB 4.12Å; L734-E738 PolarHBondContact N-OE2 3.2Å; S735-E738 PolarHBondContact N-OE2 3.48Å; S735-E738 VanDerWaalsContact N-OE2 3.16Å; S735-E738 PolarHBondContact O-N 2.76Å; S735-E738 WeakPolarHBondContact OG-CG 3.31Å; S735-E738 PolarHBondContact OG-N 3.1Å; S735-E738 PolarHBondContact OG-OE2 3.46Å; E738-S740 VanDerWaalsContact C-N 3.35Å; E738-S740 PolarHBondContact O-N 3.2Å; E738-M741 PolarHBondContact O-N 3.45Å; E738-F742 WeakPolarHBondContact O-CB 3.33Å; E738-F742 PolarHBondContact O-N 2.84Å
739	M	34.8	Very low	33.9	Very low	49 Å²	49	73.7 Å²	73.7	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-58.6	-45.2	172.4	-80.4	177.6	154.9	0	0	111.9	F733 S735 E737 M741 F742 V743 W798	F733-M739 HydrophobicContact CB-CE 4.18Å; F733-M739 HydrophobicContact CB-CG 3.91Å; F733-M739 HydrophobicContact CD1-CG 4.08Å; F733-M739 HydrophobicContact CD2-CE 4.14Å; F733-M739 HydrophobicContact CD2-CG 4.36Å; F733-M739 HydrophobicContact CG-CE 4.33Å; F733-M739 HydrophobicContact CG-CG 3.86Å; S735-M739 PolarHBondContact O-N 3.33Å; E737-M739 PolarHBondContact O-N 3.42Å; M739-M741 PolarHBondContact O-N 3.42Å; M739-F742 PolarHBondContact O-N 3.48Å; M739-V743 WeakPolarHBondContact O-CG2 3.45Å; M739-V743 PolarHBondContact O-N 2.93Å; M739-W798 HydrophobicContact CE-CE3 4.45Å; M739-W798 HydrophobicContact CE-CH2 3.24Å; M739-W798 HydrophobicContact CE-CZ2 4.43Å; M739-W798 HydrophobicContact CE-CZ3 3.25Å
740	S	34.3	Very low	34	Very low	68 Å²	68	71.5 Å²	71.5	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-40	-179.7	81.2	0	0	0	0	112.3	A736 E737 E738 R744	A736-S740 WeakPolarHBondContact O-CB 3.2Å; A736-S740 PolarHBondContact O-N 3.24Å; E737-S740 PolarHBondContact O-N 3.33Å; E737-S740 VanDerWaalsContact O-N 3.16Å; E737-S740 PolarHBondContact O-OG 2.95Å; E738-S740 VanDerWaalsContact C-N 3.35Å; E738-S740 PolarHBondContact O-N 3.2Å; S740-R744 VanDerWaalsContact O-CB 3.27Å; S740-R744 WeakPolarHBondContact O-CB 3.38Å; S740-R744 PolarHBondContact O-N 3.37Å
741	M	35.9	Very low	33.9	Very low	84 Å²	84	69.5 Å²	69.5	41%	0.414	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-42	175.9	-80.4	-143.1	-65	0	0	111.2	E737 E738 M739 R744 R745	E737-M741 PolarHBondContact O-N 2.95Å; E738-M741 PolarHBondContact O-N 3.45Å; M739-M741 PolarHBondContact O-N 3.42Å; M741-R744 PolarHBondContact O-N 3.07Å; M741-R745 WeakPolarHBondContact O-CB 3.36Å; M741-R745 VanDerWaalsContact O-CG 3.27Å; M741-R745 WeakPolarHBondContact O-CG 3.43Å; M741-R745 PolarHBondContact O-N 3.32Å
742	F	37.9	Very low	33.6	Very low	17 Å²	17	69 Å²	69	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-52.1	176.5	176.6	-99.9	0	0	0	111.1	L714 V717 L721 F723 E738 M739 R744 R745 V746	L714-F742 HydrophobicContact CD2-CE1 3.37Å; L714-F742 HydrophobicContact CD2-CZ 3.71Å; V717-F742 HydrophobicContact CB-CE2 4.45Å; V717-F742 HydrophobicContact CB-CZ 4.29Å; V717-F742 HydrophobicContact CG1-CE2 4.12Å; V717-F742 HydrophobicContact CG1-CZ 4.26Å; L721-F742 HydrophobicContact CD1-CD2 3.85Å; L721-F742 HydrophobicContact CD1-CE2 3.8Å; F723-F742 AromaticContact CD2-CD2 3.86Å; F723-F742 HydrophobicContact CD2-CD2 3.86Å; F723-F742 HydrophobicContact CD2-CE2 4.48Å; F723-F742 HydrophobicContact CE2-CB 4.33Å; F723-F742 AromaticContact CE2-CD2 3.73Å; F723-F742 HydrophobicContact CE2-CD2 3.73Å; F723-F742 HydrophobicContact CZ-CB 4.41Å; E738-F742 WeakPolarHBondContact O-CB 3.33Å; E738-F742 PolarHBondContact O-N 2.84Å; M739-F742 PolarHBondContact O-N 3.48Å; F742-R744 VanDerWaalsContact C-N 3.34Å; F742-R744 PolarHBondContact O-N 3.49Å; F742-R745 PolarHBondContact O-N 3.46Å; F742-V746 HydrophobicContact CD1-CG2 4.49Å; F742-V746 HydrophobicContact CE1-CG2 4.14Å; F742-V746 HydrophobicContact CE2-CG2 4.18Å; F742-V746 HydrophobicContact CZ-CG2 3.99Å; F742-V746 WeakPolarHBondContact O-CG2 3.46Å; F742-V746 PolarHBondContact O-N 3.49Å
743	V	36.7	Very low	33.5	Very low	37 Å²	37	64 Å²	64	22%	0.224	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-43.8	178.4	176.1	0	0	0	0	111.7	M739 R745 V746 A747 L833	M739-V743 WeakPolarHBondContact O-CG2 3.45Å; M739-V743 PolarHBondContact O-N 2.93Å; V743-R745 VanDerWaalsContact C-N 3.33Å; V743-R745 PolarHBondContact O-N 3.38Å; V743-V746 PolarHBondContact O-N 3.49Å; V743-A747 PolarHBondContact O-N 3.45Å; V743-L833 HydrophobicContact CG1-CB 4.2Å; V743-L833 HydrophobicContact CG1-CD1 3.95Å
744	R	34.7	Very low	33.4	Very low	193 Å²	193	67.4 Å²	67.4	73%	0.728	37%	0.371	S	S	*	.	H	α-helix	trans	-60.5	-41.2	178.2	-167.5	179.3	-175.2	-148.5	-0.8	112.2	S740 M741 F742 C748	S740-R744 VanDerWaalsContact O-CB 3.27Å; S740-R744 WeakPolarHBondContact O-CB 3.38Å; S740-R744 PolarHBondContact O-N 3.37Å; M741-R744 PolarHBondContact O-N 3.07Å; F742-R744 VanDerWaalsContact C-N 3.34Å; F742-R744 PolarHBondContact O-N 3.49Å; R744-C748 PolarHBondContact O-N 3.31Å; R744-C748 VanDerWaalsContact O-N 3.12Å; R744-C748 PolarHBondContact O-SG 3.32Å
745	R	36.4	Very low	33.3	Very low	71 Å²	71	64.8 Å²	64.8	27%	0.268	36%	0.355	S	S	.	.	H	α-helix	trans	-68.1	-41.5	178	-74.9	173.5	-179.4	-137.4	-0.8	112.3	M741 F742 V743 A747 C748 L749	M741-R745 WeakPolarHBondContact O-CB 3.36Å; M741-R745 VanDerWaalsContact O-CG 3.27Å; M741-R745 WeakPolarHBondContact O-CG 3.43Å; M741-R745 PolarHBondContact O-N 3.32Å; F742-R745 PolarHBondContact O-N 3.46Å; V743-R745 VanDerWaalsContact C-N 3.33Å; V743-R745 PolarHBondContact O-N 3.38Å; R745-A747 VanDerWaalsContact C-N 3.34Å; R745-A747 PolarHBondContact O-N 2.81Å; R745-C748 PolarHBondContact O-N 3.45Å; R745-L749 PolarHBondContact O-N 3.3Å; R745-L749 VanDerWaalsContact O-N 3.1Å
746	V	35.8	Very low	33.2	Very low	50 Å²	50	67 Å²	67	30%	0.303	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-43.2	175.8	175.6	0	0	0	0	111.1	V717 F742 V743 L749 A750	V717-V746 HydrophobicContact CG1-CG2 3.87Å; F742-V746 HydrophobicContact CD1-CG2 4.49Å; F742-V746 HydrophobicContact CE1-CG2 4.14Å; F742-V746 HydrophobicContact CE2-CG2 4.18Å; F742-V746 HydrophobicContact CZ-CG2 3.99Å; F742-V746 WeakPolarHBondContact O-CG2 3.46Å; F742-V746 PolarHBondContact O-N 3.49Å; V743-V746 PolarHBondContact O-N 3.49Å; V746-L749 PolarHBondContact O-N 3.23Å; V746-A750 PolarHBondContact O-N 3.18Å
747	A	34.1	Very low	33.1	Very low	26 Å²	26	68.6 Å²	68.6	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-45.2	178.2	0	0	0	0	0	112.8	V743 R745 L749 A750 G751 P835	V743-A747 PolarHBondContact O-N 3.45Å; R745-A747 VanDerWaalsContact C-N 3.34Å; R745-A747 PolarHBondContact O-N 2.81Å; A747-L749 PolarHBondContact O-N 3.01Å; A747-A750 PolarHBondContact O-N 3.5Å; A747-G751 PolarHBondContact O-N 3.44Å; A747-G751 VanDerWaalsContact O-N 3.09Å; A747-P835 HydrophobicContact CB-CG 4.06Å
748	C	32.3	Very low	33	Very low	88 Å²	88	63.2 Å²	63.2	60%	0.595	34%	0.341	S	S	*	.	H	α-helix	trans	-58.4	-37.5	174.1	-75.1	0	0	0	0	112.2	R744 R745 G751 G752	R744-C748 PolarHBondContact O-N 3.31Å; R744-C748 VanDerWaalsContact O-N 3.12Å; R744-C748 PolarHBondContact O-SG 3.32Å; R745-C748 PolarHBondContact O-N 3.45Å; C748-G751 PolarHBondContact O-N 2.99Å; C748-G752 PolarHBondContact O-N 3.32Å; C748-G752 VanDerWaalsContact O-N 3.09Å
749	L	31.4	Very low	32.6	Very low	29 Å²	29	63.9 Å²	63.9	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-71.1	-38.6	-179.3	-143.1	104.2	0	0	0	112.8	P656 L659 R745 V746 A747 G752 L753	P656-L749 HydrophobicContact CB-CD2 4.36Å; P656-L749 HydrophobicContact CG-CD1 4.21Å; P656-L749 HydrophobicContact CG-CD2 4.21Å; P656-L749 HydrophobicContact CG-CG 4.03Å; L659-L749 HydrophobicContact CD1-CD2 3.03Å; L659-L749 HydrophobicContact CD1-CG 4.5Å; L659-L749 HydrophobicContact CG-CD2 4.36Å; R745-L749 PolarHBondContact O-N 3.3Å; R745-L749 VanDerWaalsContact O-N 3.1Å; V746-L749 PolarHBondContact O-N 3.23Å; A747-L749 PolarHBondContact O-N 3.01Å; L749-G752 PolarHBondContact O-N 2.82Å; L749-L753 PolarHBondContact O-N 3.38Å
750	A	34.2	Very low	32.2	Very low	55 Å²	55	65.8 Å²	65.8	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-41.1	174	0	0	0	0	0	112	V746 A747 L753 F754	V746-A750 PolarHBondContact O-N 3.18Å; A747-A750 PolarHBondContact O-N 3.5Å; A750-L753 WeakPolarHBondContact O-CB 3.26Å; A750-L753 PolarHBondContact O-N 3.3Å; A750-F754 PolarHBondContact O-N 2.63Å; A750-F754 VanDerWaalsContact O-N 3.11Å
751	G	30.3	Very low	31.8	Very low	20 Å²	20	69.8 Å²	69.8	21%	0.206	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-43.6	173.9	0	0	0	0	0	112.6	A747 C748 L753 F754 E755	A747-G751 PolarHBondContact O-N 3.44Å; A747-G751 VanDerWaalsContact O-N 3.09Å; C748-G751 PolarHBondContact O-N 2.99Å; G751-L753 PolarHBondContact O-N 2.8Å; G751-F754 PolarHBondContact O-N 2.65Å; G751-E755 PolarHBondContact O-N 3.47Å; G751-E755 VanDerWaalsContact O-N 3.11Å
752	G	27.8	Very low	31.2	Very low	19 Å²	19	68 Å²	68	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-39.3	175.4	0	0	0	0	0	113.4	C748 L749 F754 E755 V756	C748-G752 PolarHBondContact O-N 3.32Å; C748-G752 VanDerWaalsContact O-N 3.09Å; L749-G752 PolarHBondContact O-N 2.82Å; G752-F754 PolarHBondContact O-N 2.94Å; G752-E755 PolarHBondContact O-N 2.92Å; G752-V756 WeakPolarHBondContact O-CG2 3.49Å; G752-V756 PolarHBondContact O-N 3.19Å
753	L	31.9	Very low	30.7	Very low	51 Å²	51	70.8 Å²	70.8	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-43.3	173.8	-84.8	158.1	0	0	0	112.3	P656 C660 L749 A750 G751 V756 L757	P656-L753 HydrophobicContact CB-CD2 4.09Å; P656-L753 HydrophobicContact CB-CG 4.07Å; C660-L753 WeakPolarHBondContact SG-CD2 3.36Å; L749-L753 PolarHBondContact O-N 3.38Å; A750-L753 WeakPolarHBondContact O-CB 3.26Å; A750-L753 PolarHBondContact O-N 3.3Å; G751-L753 PolarHBondContact O-N 2.8Å; L753-V756 PolarHBondContact O-N 3.44Å; L753-L757 WeakPolarHBondContact O-CB 3.44Å; L753-L757 PolarHBondContact O-N 2.98Å
754	F	31.3	Very low	30.3	Very low	106 Å²	106	74.3 Å²	74.3	47%	0.465	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-39.5	179.6	-152.4	-102.1	0	0	0	111.4	A750 G751 G752 L757 I758	A750-F754 PolarHBondContact O-N 2.63Å; A750-F754 VanDerWaalsContact O-N 3.11Å; G751-F754 PolarHBondContact O-N 2.65Å; G752-F754 PolarHBondContact O-N 2.94Å; F754-L757 PolarHBondContact O-N 3.36Å; F754-I758 HydrophobicContact CD1-CD1 3.38Å; F754-I758 HydrophobicContact CD1-CG1 4.15Å; F754-I758 HydrophobicContact CE1-CD1 3.66Å; F754-I758 HydrophobicContact CE1-CG1 4.25Å; F754-I758 HydrophobicContact CG-CD1 4.39Å; F754-I758 WeakPolarHBondContact O-CB 3.42Å; F754-I758 WeakPolarHBondContact O-CD1 3.41Å; F754-I758 WeakPolarHBondContact O-CG1 3.45Å; F754-I758 PolarHBondContact O-N 2.82Å
755	E	29.8	Very low	29.9	Very low	78 Å²	78	67.9 Å²	67.9	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-64.3	-42	173.9	-79.9	-160.6	174.3	0	0	113.2	W616 G751 G752 L757 I758 A759	W616-E755 HydrophobicContact CH2-CB 4.31Å; W616-E755 WeakPolarHBondContact CH2-OE2 3.18Å; G751-E755 PolarHBondContact O-N 3.47Å; G751-E755 VanDerWaalsContact O-N 3.11Å; G752-E755 PolarHBondContact O-N 2.92Å; E755-L757 VanDerWaalsContact C-N 3.3Å; E755-L757 PolarHBondContact O-N 3.38Å; E755-I758 PolarHBondContact O-N 3.13Å; E755-A759 VanDerWaalsContact O-CB 3.27Å; E755-A759 WeakPolarHBondContact O-CB 3.16Å; E755-A759 PolarHBondContact O-N 3.18Å
756	V	27.8	Very low	29.5	Very low	87 Å²	87	68.8 Å²	68.8	53%	0.527	42%	0.421	S	S	.	.	H	α-helix	trans	-60	-44.3	175.4	172.5	0	0	0	0	110.3	G752 L753 I758 A759 T760	G752-V756 WeakPolarHBondContact O-CG2 3.49Å; G752-V756 PolarHBondContact O-N 3.19Å; L753-V756 PolarHBondContact O-N 3.44Å; V756-I758 PolarHBondContact O-N 3.37Å; V756-A759 PolarHBondContact O-N 3.49Å; V756-T760 WeakPolarHBondContact O-CG2 3.33Å; V756-T760 PolarHBondContact O-N 3.08Å; V756-T760 PolarHBondContact O-OG1 2.63Å
757	L	30.1	Very low	29.1	Very low	96 Å²	96	72.5 Å²	72.5	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-39.3	179.7	-139.1	146.4	0	0	0	112	L753 F754 E755 T760 H761	L753-L757 WeakPolarHBondContact O-CB 3.44Å; L753-L757 PolarHBondContact O-N 2.98Å; F754-L757 PolarHBondContact O-N 3.36Å; E755-L757 VanDerWaalsContact C-N 3.3Å; E755-L757 PolarHBondContact O-N 3.38Å; L757-T760 PolarHBondContact O-OG1 3.1Å; L757-H761 PolarHBondContact O-N 2.74Å; L757-H761 VanDerWaalsContact O-N 3.11Å
758	I	28.9	Very low	28.8	Very low	30 Å²	30	71.7 Å²	71.7	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-66.2	-44	172.9	-70.3	160.3	0	0	0	111.1	F754 E755 V756 T760 G762 F763	F754-I758 HydrophobicContact CD1-CD1 3.38Å; F754-I758 HydrophobicContact CD1-CG1 4.15Å; F754-I758 HydrophobicContact CE1-CD1 3.66Å; F754-I758 HydrophobicContact CE1-CG1 4.25Å; F754-I758 HydrophobicContact CG-CD1 4.39Å; F754-I758 WeakPolarHBondContact O-CB 3.42Å; F754-I758 WeakPolarHBondContact O-CD1 3.41Å; F754-I758 WeakPolarHBondContact O-CG1 3.45Å; F754-I758 PolarHBondContact O-N 2.82Å; E755-I758 PolarHBondContact O-N 3.13Å; V756-I758 PolarHBondContact O-N 3.37Å; I758-T760 VanDerWaalsContact C-N 3.3Å; I758-T760 PolarHBondContact O-N 3.39Å; I758-G762 VanDerWaalsContact O-CA 3.29Å; I758-G762 WeakPolarHBondContact O-CA 3.42Å; I758-G762 PolarHBondContact O-N 3.29Å; I758-F763 HydrophobicContact CB-CE2 4.34Å; I758-F763 HydrophobicContact CB-CZ 4.46Å; I758-F763 HydrophobicContact CD1-CE1 3.67Å; I758-F763 HydrophobicContact CD1-CE2 3.8Å; I758-F763 HydrophobicContact CD1-CZ 3.17Å; I758-F763 HydrophobicContact CG1-CD1 4.38Å; I758-F763 HydrophobicContact CG1-CE1 3.83Å; I758-F763 HydrophobicContact CG1-CE2 3.99Å; I758-F763 HydrophobicContact CG1-CZ 3.64Å; I758-F763 HydrophobicContact CG2-CD2 3.63Å; I758-F763 HydrophobicContact CG2-CE2 3.35Å; I758-F763 HydrophobicContact CG2-CG 4.41Å; I758-F763 HydrophobicContact CG2-CZ 3.93Å
759	A	28.5	Very low	28.6	Very low	88 Å²	88	72.1 Å²	72.1	73%	0.727	42%	0.423	S	S	*	.	H	α-helix	trans	-65.5	-35.4	-178.3	0	0	0	0	0	111.5	E755 V756	E755-A759 VanDerWaalsContact O-CB 3.27Å; E755-A759 WeakPolarHBondContact O-CB 3.16Å; E755-A759 PolarHBondContact O-N 3.18Å; V756-A759 PolarHBondContact O-N 3.49Å
760	T	26	Very low	28.4	Very low	88 Å²	88	72.2 Å²	72.2	54%	0.54	43%	0.431	S	S	.	.	H	α-helix	trans	-84.7	-27.2	-179.1	53.8	0	0	0	0	114.3	V756 L757 I758	V756-T760 WeakPolarHBondContact O-CG2 3.33Å; V756-T760 PolarHBondContact O-N 3.08Å; V756-T760 PolarHBondContact O-OG1 2.63Å; L757-T760 PolarHBondContact O-OG1 3.1Å; I758-T760 VanDerWaalsContact C-N 3.3Å; I758-T760 PolarHBondContact O-N 3.39Å
761	H	26	Very low	28.2	Very low	153 Å²	153	72 Å²	72	71%	0.708	42%	0.422	S	S	*	.	H	α-helix	trans	-121.1	-6.1	-173.1	-62.1	-61.1	0	0	0	115.3	L757	L757-H761 PolarHBondContact O-N 2.74Å; L757-H761 VanDerWaalsContact O-N 3.11Å
762	G	24.2	Very low	28.1	Very low	46 Å²	46	75.5 Å²	75.5	47%	0.474	43%	0.43	S	S	.	.			trans	68.5	164	-171.4	0	0	0	0	0	112.2	I758 N764	I758-G762 VanDerWaalsContact O-CA 3.29Å; I758-G762 WeakPolarHBondContact O-CA 3.42Å; I758-G762 PolarHBondContact O-N 3.29Å; G762-N764 PolarHBondContact O-N 2.68Å
763	F	26.3	Very low	28.2	Very low	75 Å²	75	80.1 Å²	80.1	33%	0.329	45%	0.447	S	S	.	.			trans	-75.1	125	172.4	-85.4	-77	0	0	0	110.3	I758 A765 V768 L842 K845	I758-F763 HydrophobicContact CB-CE2 4.34Å; I758-F763 HydrophobicContact CB-CZ 4.46Å; I758-F763 HydrophobicContact CD1-CE1 3.67Å; I758-F763 HydrophobicContact CD1-CE2 3.8Å; I758-F763 HydrophobicContact CD1-CZ 3.17Å; I758-F763 HydrophobicContact CG1-CD1 4.38Å; I758-F763 HydrophobicContact CG1-CE1 3.83Å; I758-F763 HydrophobicContact CG1-CE2 3.99Å; I758-F763 HydrophobicContact CG1-CZ 3.64Å; I758-F763 HydrophobicContact CG2-CD2 3.63Å; I758-F763 HydrophobicContact CG2-CE2 3.35Å; I758-F763 HydrophobicContact CG2-CG 4.41Å; I758-F763 HydrophobicContact CG2-CZ 3.93Å; F763-A765 VanDerWaalsContact C-N 3.3Å; F763-A765 PolarHBondContact O-N 3.4Å; F763-V768 HydrophobicContact CB-CG2 4.27Å; F763-V768 HydrophobicContact CD1-CG2 3.37Å; F763-V768 HydrophobicContact CE1-CG2 3.93Å; F763-V768 HydrophobicContact CG-CG2 4.05Å; F763-L842 HydrophobicContact CD1-CD1 4.27Å; F763-L842 HydrophobicContact CE1-CD1 3.34Å; F763-L842 HydrophobicContact CZ-CD1 3.49Å; F763-L842 VanDerWaalsContact CZ-CD1 3.49Å; F763-K845 HydrophobicContact CE2-CD 3.91Å
764	N	27.7	Very low	28.1	Very low	111 Å²	111	81.1 Å²	81.1	59%	0.594	45%	0.45	S	S	*	.			trans	-69.7	93.2	159.5	-161.2	-4.9	0	0	0	107.2	G762 P766 M767	G762-N764 PolarHBondContact O-N 2.68Å; N764-P766 VanDerWaalsContact O-N 3.08Å; N764-P766 WeakPolarHBondContact OD1-CD 3.39Å; N764-P766 WeakPolarHBondContact OD1-CG 3.42Å; N764-M767 HydrophobicContact CB-CB 4.45Å; N764-M767 WeakPolarHBondContact O-CB 3.46Å; N764-M767 PolarHBondContact O-N 3.22Å
765	A	26.2	Very low	28	Very low	59 Å²	59	79.2 Å²	79.2	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-45.6	-35.2	-178.3	0	0	0	0	0	115.3	F763 M767 V768 M769	F763-A765 VanDerWaalsContact C-N 3.3Å; F763-A765 PolarHBondContact O-N 3.4Å; A765-M767 VanDerWaalsContact C-N 3.34Å; A765-M767 PolarHBondContact O-N 3.46Å; A765-V768 PolarHBondContact O-N 3.32Å; A765-M769 WeakPolarHBondContact O-CB 3.44Å; A765-M769 WeakPolarHBondContact O-CG 3.23Å; A765-M769 PolarHBondContact O-N 3.14Å
766	P	28.6	Very low	28	Very low	90 Å²	90	78.4 Å²	78.4	58%	0.584	45%	0.453	S	S	*	.	H	α-helix	trans	-55.7	-39.1	169.6	-27.9	30.8	0	0	0	115.4	N764 V768 M769 G770	N764-P766 VanDerWaalsContact O-N 3.08Å; N764-P766 WeakPolarHBondContact OD1-CD 3.39Å; N764-P766 WeakPolarHBondContact OD1-CG 3.42Å; P766-V768 VanDerWaalsContact C-N 3.33Å; P766-M769 PolarHBondContact O-N 3.4Å; P766-G770 PolarHBondContact O-N 3.34Å
767	M	27.4	Very low	28.2	Very low	127 Å²	127	79.7 Å²	79.7	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-70.6	-36.7	-178.2	-154.9	174.9	172.5	0	0	110.6	N764 A765 L771	N764-M767 HydrophobicContact CB-CB 4.45Å; N764-M767 WeakPolarHBondContact O-CB 3.46Å; N764-M767 PolarHBondContact O-N 3.22Å; A765-M767 VanDerWaalsContact C-N 3.34Å; A765-M767 PolarHBondContact O-N 3.46Å; M767-L771 WeakPolarHBondContact O-CB 3.45Å; M767-L771 PolarHBondContact O-N 3.2Å
768	V	28.5	Very low	28.1	Very low	9 Å²	9	84.4 Å²	84.4	6%	0.055	47%	0.47	C	S	.	.	H	α-helix	trans	-67.8	-46.5	173.7	168.7	0	0	0	0	111.8	F763 A765 P766 L771 Y772 L842 L846	F763-V768 HydrophobicContact CB-CG2 4.27Å; F763-V768 HydrophobicContact CD1-CG2 3.37Å; F763-V768 HydrophobicContact CE1-CG2 3.93Å; F763-V768 HydrophobicContact CG-CG2 4.05Å; A765-V768 PolarHBondContact O-N 3.32Å; P766-V768 VanDerWaalsContact C-N 3.33Å; V768-L771 WeakPolarHBondContact O-CB 3.12Å; V768-L771 PolarHBondContact O-N 3.06Å; V768-Y772 PolarHBondContact O-N 2.83Å; V768-L842 HydrophobicContact CB-CD2 4.06Å; V768-L842 HydrophobicContact CG1-CD2 3.48Å; V768-L842 VanDerWaalsContact CG1-CD2 3.48Å; V768-L842 HydrophobicContact CG1-CG 3.86Å; V768-L842 HydrophobicContact CG2-CD1 4.09Å; V768-L842 HydrophobicContact CG2-CD2 3.99Å; V768-L842 HydrophobicContact CG2-CG 4.09Å; V768-L846 HydrophobicContact CG1-CD1 3.4Å; V768-L846 VanDerWaalsContact CG1-CD1 3.4Å; V768-L846 HydrophobicContact CG1-CD2 3.87Å; V768-L846 HydrophobicContact CG1-CG 4.03Å
769	M	27.6	Very low	28.2	Very low	97 Å²	97	87 Å²	87	48%	0.478	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-40.2	176	-79.2	-66.8	-64.3	0	0	111.9	A765 P766 L771 Y772 E773	A765-M769 WeakPolarHBondContact O-CB 3.44Å; A765-M769 WeakPolarHBondContact O-CG 3.23Å; A765-M769 PolarHBondContact O-N 3.14Å; P766-M769 PolarHBondContact O-N 3.4Å; M769-L771 VanDerWaalsContact C-N 3.31Å; M769-L771 PolarHBondContact O-N 3.36Å; M769-Y772 PolarHBondContact O-N 3.39Å; M769-E773 WeakPolarHBondContact O-CB 3.45Å; M769-E773 PolarHBondContact O-N 3.4Å
770	G	28.2	Very low	28.1	Very low	31 Å²	31	86.2 Å²	86.2	32%	0.32	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-40.1	173.9	0	0	0	0	0	111.8	P766 E774	P766-G770 PolarHBondContact O-N 3.34Å; G770-E774 VanDerWaalsContact O-CB 3.25Å; G770-E774 WeakPolarHBondContact O-CB 3.44Å; G770-E774 WeakPolarHBondContact O-CG 3.09Å; G770-E774 PolarHBondContact O-N 3.45Å
771	L	29	Very low	28.4	Very low	50 Å²	50	85.8 Å²	85.8	26%	0.262	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-43.1	173.4	-142	95.5	0	0	0	111.7	M767 V768 M769 E774 V775 I839 L842	M767-L771 WeakPolarHBondContact O-CB 3.45Å; M767-L771 PolarHBondContact O-N 3.2Å; V768-L771 WeakPolarHBondContact O-CB 3.12Å; V768-L771 PolarHBondContact O-N 3.06Å; M769-L771 VanDerWaalsContact C-N 3.31Å; M769-L771 PolarHBondContact O-N 3.36Å; L771-E774 PolarHBondContact O-N 2.85Å; L771-V775 WeakPolarHBondContact O-CB 3.32Å; L771-V775 WeakPolarHBondContact O-CG2 3.35Å; L771-V775 PolarHBondContact O-N 2.76Å; L771-I839 HydrophobicContact CD2-CG1 4.17Å; L771-L842 HydrophobicContact CD2-CD2 4.36Å
772	Y	28.6	Very low	28.6	Very low	94 Å²	94	83.8 Å²	83.8	37%	0.369	46%	0.462	S	S	.	.	H	α-helix	trans	-67.9	-44.5	179.7	-166	-91.2	0	0	0	112.1	V768 M769 E774 V775 A776 L843 I848	V768-Y772 PolarHBondContact O-N 2.83Å; M769-Y772 PolarHBondContact O-N 3.39Å; Y772-E774 VanDerWaalsContact C-N 3.34Å; Y772-V775 PolarHBondContact O-N 3.18Å; Y772-A776 WeakPolarHBondContact O-CB 3.49Å; Y772-A776 PolarHBondContact O-N 3.26Å; Y772-L843 HydrophobicContact CD2-CD2 3.62Å; Y772-L843 HydrophobicContact CE2-CD2 3.44Å; Y772-L843 VanDerWaalsContact CE2-CD2 3.44Å; Y772-I848 HydrophobicContact CD2-CD1 4.42Å; Y772-I848 HydrophobicContact CE2-CD1 4.09Å
773	E	29.2	Very low	28.9	Very low	117 Å²	117	84.2 Å²	84.2	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-38.7	175.6	-79.3	-173.3	155.5	0	0	111.6	M769 N777	M769-E773 WeakPolarHBondContact O-CB 3.45Å; M769-E773 PolarHBondContact O-N 3.4Å; E773-N777 VanDerWaalsContact O-CB 3.22Å; E773-N777 WeakPolarHBondContact O-CB 3.33Å; E773-N777 PolarHBondContact O-N 2.7Å; E773-N777 VanDerWaalsContact O-N 3.12Å; E773-N777 PolarHBondContact O-ND2 2.82Å
774	E	30.6	Very low	29	Very low	71 Å²	71	82.8 Å²	82.8	33%	0.332	45%	0.449	S	S	.	.	H	α-helix	trans	-69.8	-42.6	176.9	-84.3	-78.1	157.7	0	0	112.7	G770 L771 Y772 N777 N783	G770-E774 VanDerWaalsContact O-CB 3.25Å; G770-E774 WeakPolarHBondContact O-CB 3.44Å; G770-E774 WeakPolarHBondContact O-CG 3.09Å; G770-E774 PolarHBondContact O-N 3.45Å; L771-E774 PolarHBondContact O-N 2.85Å; Y772-E774 VanDerWaalsContact C-N 3.34Å; E774-N777 PolarHBondContact O-N 3.1Å; E774-N783 VanDerWaalsContact CD-ND2 3.27Å; E774-N783 PolarHBondContact OE1-ND2 3.03Å; E774-N783 WeakPolarHBondContact OE2-CB 3.25Å; E774-N783 PolarHBondContact OE2-ND2 3.19Å
775	V	28.7	Very low	29	Very low	67 Å²	67	80.7 Å²	80.7	41%	0.406	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-40.8	176.3	172.1	0	0	0	0	111.2	L771 Y772 N777	L771-V775 WeakPolarHBondContact O-CB 3.32Å; L771-V775 WeakPolarHBondContact O-CG2 3.35Å; L771-V775 PolarHBondContact O-N 2.76Å; Y772-V775 PolarHBondContact O-N 3.18Å; V775-N777 VanDerWaalsContact C-N 3.27Å; V775-N777 PolarHBondContact O-N 2.85Å
776	A	29.6	Very low	29.1	Very low	60 Å²	60	80.5 Å²	80.5	50%	0.496	44%	0.436	S	S	.	.	H	α-helix	trans	-67	-29.4	178.6	0	0	0	0	0	112.5	Y772 Y778	Y772-A776 WeakPolarHBondContact O-CB 3.49Å; Y772-A776 PolarHBondContact O-N 3.26Å; A776-Y778 PolarHBondContact O-N 3.04Å
777	N	32	Very low	29	Very low	114 Å²	114	80.6 Å²	80.6	61%	0.61	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	40.9	-174.5	-71.5	-39	0	0	0	113.7	E773 E774 V775 N779	E773-N777 VanDerWaalsContact O-CB 3.22Å; E773-N777 WeakPolarHBondContact O-CB 3.33Å; E773-N777 PolarHBondContact O-N 2.7Å; E773-N777 VanDerWaalsContact O-N 3.12Å; E773-N777 PolarHBondContact O-ND2 2.82Å; E774-N777 PolarHBondContact O-N 3.1Å; V775-N777 VanDerWaalsContact C-N 3.27Å; V775-N777 PolarHBondContact O-N 2.85Å; N777-N779 WeakPolarHBondContact O-CB 3.36Å; N777-N779 PolarHBondContact O-N 2.7Å
778	Y	27.6	Very low	29	Very low	195 Å²	195	78.5 Å²	78.5	77%	0.765	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-0.7	165.5	-95.1	-91.2	0	0	0	118.2	A776 V780	A776-Y778 PolarHBondContact O-N 3.04Å; Y778-V780 PolarHBondContact O-N 3.29Å
779	N	30.9	Very low	29	Very low	85 Å²	85	84.6 Å²	84.6	46%	0.455	45%	0.446	S	S	.	.			trans	-94.9	30.1	-169.2	-131.9	6	0	0	0	112	N777 T781 N782	N777-N779 WeakPolarHBondContact O-CB 3.36Å; N777-N779 PolarHBondContact O-N 2.7Å; N779-T781 PolarHBondContact O-N 3.39Å; N779-T781 VanDerWaalsContact O-N 3.11Å; N779-N782 PolarHBondContact O-N 2.91Å
780	V	28.5	Very low	28.8	Very low	72 Å²	72	83.8 Å²	83.8	44%	0.436	45%	0.448	S	S	.	.	H	α-helix	trans	-59.7	-28.8	-165.8	-171.8	0	0	0	0	112.2	Y778 L784	Y778-V780 PolarHBondContact O-N 3.29Å; V780-L784 HydrophobicContact CG1-CD1 3.59Å; V780-L784 WeakPolarHBondContact O-CB 3.46Å
781	T	30.2	Very low	28.7	Very low	78 Å²	78	85.3 Å²	85.3	48%	0.479	45%	0.451	S	S	.	.	H	α-helix	trans	-77.7	-44.8	-174.7	29.7	0	0	0	0	114.2	N779 D785	N779-T781 PolarHBondContact O-N 3.39Å; N779-T781 VanDerWaalsContact O-N 3.11Å; T781-D785 WeakPolarHBondContact O-CB 3.15Å
782	N	31.1	Very low	28.4	Very low	111 Å²	111	84.2 Å²	84.2	59%	0.594	44%	0.444	S	S	*	.	H	α-helix	trans	-88.6	-32.7	-169.4	-70.9	-4.5	0	0	0	113.1	N779 A786	N779-N782 PolarHBondContact O-N 2.91Å; N782-A786 WeakPolarHBondContact O-CB 3.36Å; N782-A786 PolarHBondContact O-N 3.24Å
783	N	31.6	Very low	28.2	Very low	56 Å²	56	81.9 Å²	81.9	30%	0.299	45%	0.448	S	S	.	.	H	α-helix	trans	-93.5	-29.8	-172.5	-74.4	-10.5	0	0	0	113.5	E774 A786 L787	E774-N783 VanDerWaalsContact CD-ND2 3.27Å; E774-N783 PolarHBondContact OE1-ND2 3.03Å; E774-N783 WeakPolarHBondContact OE2-CB 3.25Å; E774-N783 PolarHBondContact OE2-ND2 3.19Å; N783-A786 PolarHBondContact O-N 3.03Å; N783-L787 WeakPolarHBondContact O-CB 3.01Å; N783-L787 PolarHBondContact O-N 2.78Å
784	L	26.7	Very low	28	Very low	44 Å²	44	80.4 Å²	80.4	23%	0.23	44%	0.441	C	S	.	.	H	α-helix	trans	-65.4	-44.6	162.3	-86.2	150.9	0	0	0	109.4	V780 A786 L787 W788	V780-L784 HydrophobicContact CG1-CD1 3.59Å; V780-L784 WeakPolarHBondContact O-CB 3.46Å; L784-A786 PolarHBondContact O-N 3.21Å; L784-L787 PolarHBondContact O-N 2.87Å; L784-L787 VanDerWaalsContact O-N 3.14Å; L784-W788 VanDerWaalsContact CD2-NE1 3.26Å; L784-W788 VanDerWaalsContact O-CB 3.28Å; L784-W788 WeakPolarHBondContact O-CB 3.07Å; L784-W788 PolarHBondContact O-N 3.04Å
785	D	29.1	Very low	27.8	Very low	67 Å²	67	79.7 Å²	79.7	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-57.3	-36.8	174.4	-79.8	-1.1	0	0	0	112	T781 W788 M789 F831	T781-D785 WeakPolarHBondContact O-CB 3.15Å; D785-W788 CarbonylContact O-C 3.45Å; D785-M789 VanDerWaalsContact O-CA 3.26Å; D785-M789 WeakPolarHBondContact O-CA 3.5Å; D785-M789 WeakPolarHBondContact O-CB 3.33Å; D785-M789 WeakPolarHBondContact O-CG 3.29Å; D785-M789 PolarHBondContact O-N 3.41Å; D785-F831 WeakPolarHBondContact OD1-CE1 3.15Å
786	A	28.3	Very low	27.6	Very low	56 Å²	56	81 Å²	81	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-71.1	-41.1	175.3	0	0	0	0	0	113.7	N782 N783 L784 W788 P790	N782-A786 WeakPolarHBondContact O-CB 3.36Å; N782-A786 PolarHBondContact O-N 3.24Å; N783-A786 PolarHBondContact O-N 3.03Å; L784-A786 PolarHBondContact O-N 3.21Å; A786-W788 VanDerWaalsContact C-N 3.27Å; A786-W788 PolarHBondContact O-N 2.78Å; A786-P790 VanDerWaalsContact O-CD 3.28Å; A786-P790 WeakPolarHBondContact O-CD 3.12Å
787	L	26.7	Very low	27.4	Very low	91 Å²	91	78.6 Å²	78.6	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-65.3	-33.6	174.7	-92.7	156.6	0	0	0	111.7	N783 L784	N783-L787 WeakPolarHBondContact O-CB 3.01Å; N783-L787 PolarHBondContact O-N 2.78Å; L784-L787 PolarHBondContact O-N 2.87Å; L784-L787 VanDerWaalsContact O-N 3.14Å
788	W	26.6	Very low	27.1	Very low	84 Å²	84	78.2 Å²	78.2	32%	0.318	42%	0.421	S	S	.	.	H	α-helix	trans	-95.7	-13.5	-178.4	-71.9	83.9	0	0	0	113.3	L784 D785 A786 P790 T791 F792 T834	L784-W788 VanDerWaalsContact CD2-NE1 3.26Å; L784-W788 VanDerWaalsContact O-CB 3.28Å; L784-W788 WeakPolarHBondContact O-CB 3.07Å; L784-W788 PolarHBondContact O-N 3.04Å; D785-W788 CarbonylContact O-C 3.45Å; A786-W788 VanDerWaalsContact C-N 3.27Å; A786-W788 PolarHBondContact O-N 2.78Å; W788-P790 VanDerWaalsContact C-CD 3.46Å; W788-T791 CarbonylContact O-C 3.55Å; W788-T791 VanDerWaalsContact O-CA 3.29Å; W788-T791 WeakPolarHBondContact O-CA 3.4Å; W788-T791 VanDerWaalsContact O-CB 3.22Å; W788-T791 WeakPolarHBondContact O-CB 3.15Å; W788-T791 PolarHBondContact O-N 2.94Å; W788-T791 PolarHBondContact O-OG1 3.33Å; W788-F792 HydrophobicContact CB-CD2 3.64Å; W788-F792 HydrophobicContact CB-CE2 3.43Å; W788-F792 VanDerWaalsContact CB-CE2 3.43Å; W788-F792 HydrophobicContact CG-CE2 4.3Å; W788-F792 WeakPolarHBondContact O-CD2 3.48Å; W788-F792 PolarHBondContact O-N 2.9Å; W788-T834 HydrophobicContact CE3-CG2 4.4Å; W788-T834 HydrophobicContact CH2-CG2 4.04Å; W788-T834 HydrophobicContact CZ3-CG2 3.81Å
789	M	27.8	Very low	27.1	Very low	137 Å²	137	77 Å²	77	68%	0.675	42%	0.417	S	S	*	.	H	α-helix	trans	-57.4	-40.6	-179.1	-122.8	-161.2	158.5	0	0	113.3	D785 T791 F792 G793	D785-M789 VanDerWaalsContact O-CA 3.26Å; D785-M789 WeakPolarHBondContact O-CA 3.5Å; D785-M789 WeakPolarHBondContact O-CB 3.33Å; D785-M789 WeakPolarHBondContact O-CG 3.29Å; D785-M789 PolarHBondContact O-N 3.41Å; M789-T791 VanDerWaalsContact C-N 3.26Å; M789-T791 PolarHBondContact O-N 2.85Å; M789-F792 PolarHBondContact O-N 3.31Å; M789-G793 PolarHBondContact O-N 2.9Å
790	P	24.3	Very low	26.8	Very low	80 Å²	80	75 Å²	75	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-45.5	171.2	-23.5	33.3	0	0	0	110.4	A786 W788 F792 G793 H794	A786-P790 VanDerWaalsContact O-CD 3.28Å; A786-P790 WeakPolarHBondContact O-CD 3.12Å; W788-P790 VanDerWaalsContact C-CD 3.46Å; P790-F792 PolarHBondContact O-N 2.85Å; P790-G793 PolarHBondContact O-N 3.24Å; P790-H794 PolarHBondContact O-CD2 2.72Å; P790-H794 PolarHBondContact O-NE2 3.35Å
791	T	24.8	Very low	26.8	Very low	62 Å²	62	74.6 Å²	74.6	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-41.2	175.7	-18	0	0	0	0	112.4	W788 M789 H794 I795	W788-T791 CarbonylContact O-C 3.55Å; W788-T791 VanDerWaalsContact O-CA 3.29Å; W788-T791 WeakPolarHBondContact O-CA 3.4Å; W788-T791 VanDerWaalsContact O-CB 3.22Å; W788-T791 WeakPolarHBondContact O-CB 3.15Å; W788-T791 PolarHBondContact O-N 2.94Å; W788-T791 PolarHBondContact O-OG1 3.33Å; M789-T791 VanDerWaalsContact C-N 3.26Å; M789-T791 PolarHBondContact O-N 2.85Å; T791-H794 PolarHBondContact O-N 3.36Å; T791-I795 WeakPolarHBondContact O-CG1 3.17Å; T791-I795 PolarHBondContact O-N 2.96Å
792	F	24.5	Very low	26.6	Very low	28 Å²	28	78.8 Å²	78.8	12%	0.123	41%	0.414	C	S	.	.	H	α-helix	trans	-70	-36.3	179.9	-80.1	-67	0	0	0	113.2	W788 M789 P790 H794 I795 C796 F831	W788-F792 HydrophobicContact CB-CD2 3.64Å; W788-F792 HydrophobicContact CB-CE2 3.43Å; W788-F792 VanDerWaalsContact CB-CE2 3.43Å; W788-F792 HydrophobicContact CG-CE2 4.3Å; W788-F792 WeakPolarHBondContact O-CD2 3.48Å; W788-F792 PolarHBondContact O-N 2.9Å; M789-F792 PolarHBondContact O-N 3.31Å; P790-F792 PolarHBondContact O-N 2.85Å; F792-H794 PolarHBondContact O-N 2.9Å; F792-H794 VanDerWaalsContact O-N 3.1Å; F792-I795 PolarHBondContact O-N 2.95Å; F792-C796 PolarHBondContact O-N 3.17Å; F792-C796 PolarHBondContact O-SG 2.94Å; F792-C796 VanDerWaalsContact O-SG 3.35Å; F792-F831 HydrophobicContact CD1-CZ 4.31Å; F792-F831 AromaticContact CD2-CE1 3.95Å; F792-F831 HydrophobicContact CD2-CE1 3.95Å; F792-F831 HydrophobicContact CD2-CZ 4.1Å; F792-F831 HydrophobicContact CE1-CD1 4.13Å; F792-F831 AromaticContact CE1-CE1 3.84Å; F792-F831 HydrophobicContact CE1-CE1 3.84Å; F792-F831 HydrophobicContact CE1-CE2 4.33Å; F792-F831 AromaticContact CE1-CZ 3.94Å; F792-F831 HydrophobicContact CE1-CZ 3.94Å; F792-F831 AromaticContact CE2-CD1 3.84Å; F792-F831 HydrophobicContact CE2-CD1 3.84Å; F792-F831 AromaticContact CE2-CE1 3.14Å; F792-F831 HydrophobicContact CE2-CE1 3.14Å; F792-F831 AromaticContact CE2-CZ 3.71Å; F792-F831 HydrophobicContact CE2-CZ 3.71Å; F792-F831 HydrophobicContact CG-CZ 4.41Å; F792-F831 AromaticContact CZ-CD1 3.37Å; F792-F831 HydrophobicContact CZ-CD1 3.37Å; F792-F831 AromaticContact CZ-CE1 3.09Å; F792-F831 HydrophobicContact CZ-CE1 3.09Å; F792-F831 HydrophobicContact CZ-CE2 4.36Å; F792-F831 HydrophobicContact CZ-CG 4.14Å; F792-F831 AromaticContact CZ-CZ 3.65Å; F792-F831 HydrophobicContact CZ-CZ 3.65Å
793	G	23.4	Very low	26.6	Very low	44 Å²	44	78.6 Å²	78.6	45%	0.454	41%	0.414	S	S	.	.	H	α-helix	trans	-56.3	-26.1	172.8	0	0	0	0	0	112.6	M789 P790	M789-G793 PolarHBondContact O-N 2.9Å; P790-G793 PolarHBondContact O-N 3.24Å
794	H	25.5	Very low	26.5	Very low	86 Å²	86	76.3 Å²	76.3	40%	0.398	40%	0.402	S	S	.	.	H	α-helix	trans	-87.7	-18.1	177.2	-58.4	-54.4	0	0	0	114.3	P790 T791 F792	P790-H794 PolarHBondContact O-CD2 2.72Å; P790-H794 PolarHBondContact O-NE2 3.35Å; T791-H794 PolarHBondContact O-N 3.36Å; F792-H794 PolarHBondContact O-N 2.9Å; F792-H794 VanDerWaalsContact O-N 3.1Å
795	I	26.5	Very low	26.4	Very low	57 Å²	57	77.6 Å²	77.6	29%	0.292	40%	0.404	S	S	.	.	H	α-helix	trans	-102.6	-15.8	-178.5	-57.1	173.8	0	0	0	111.8	L714 T791 F792 G797 F830	L714-I795 HydrophobicContact CD1-CB 4.47Å; L714-I795 HydrophobicContact CD1-CG2 3.84Å; L714-I795 WeakPolarHBondContact CD1-O 2.97Å; T791-I795 WeakPolarHBondContact O-CG1 3.17Å; T791-I795 PolarHBondContact O-N 2.96Å; F792-I795 PolarHBondContact O-N 2.95Å; I795-G797 PolarHBondContact O-N 3.33Å; I795-F830 HydrophobicContact CG2-CD1 4.02Å; I795-F830 HydrophobicContact CG2-CE1 3.33Å; I795-F830 HydrophobicContact CG2-CE2 4.29Å; I795-F830 HydrophobicContact CG2-CZ 3.48Å; I795-F830 VanDerWaalsContact CG2-CZ 3.48Å
796	C	24.8	Very low	26.4	Very low	93 Å²	93	80.7 Å²	80.7	63%	0.628	42%	0.42	S	S	*	.			trans	-67.3	68.9	172.3	-79	0	0	0	0	113	F792	F792-C796 PolarHBondContact O-N 3.17Å; F792-C796 PolarHBondContact O-SG 2.94Å; F792-C796 VanDerWaalsContact O-SG 3.35Å
797	G	24.2	Very low	26.5	Very low	10 Å²	10	82 Å²	82	10%	0.103	43%	0.425	C	S	.	.			trans	-115.2	0.5	177.2	0	0	0	0	0	115	I795	I795-G797 PolarHBondContact O-N 3.33Å
798	W	25.7	Very low	26.4	Very low	106 Å²	106	82.5 Å²	82.5	40%	0.402	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.8	-171.6	-78.3	59.1	0	0	0	111.6	F733 M739	F733-W798 AromaticContact CD2-CH2 3.87Å; F733-W798 HydrophobicContact CD2-CH2 3.87Å; F733-W798 HydrophobicContact CD2-CZ2 4.31Å; F733-W798 AromaticContact CE2-CH2 3.91Å; F733-W798 HydrophobicContact CE2-CH2 3.91Å; F733-W798 AromaticContact CE2-CZ2 3.88Å; F733-W798 HydrophobicContact CE2-CZ2 3.88Å; M739-W798 HydrophobicContact CE-CE3 4.45Å; M739-W798 HydrophobicContact CE-CH2 3.24Å; M739-W798 HydrophobicContact CE-CZ2 4.43Å; M739-W798 HydrophobicContact CE-CZ3 3.25Å
799	Y	27.5	Very low	26.4	Very low	170 Å²	170	82.7 Å²	82.7	67%	0.667	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.5	166.4	-164.7	-89.6	0	0	0	109.2	C707	C707-Y799 PolarHBondContact N-O 3.48Å
800	A	25.8	Very low	26.2	Very low	44 Å²	44	79.5 Å²	79.5	36%	0.364	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125	175.4	0	0	0	0	0	109.7
801	N	27.7	Very low	26.2	Very low	63 Å²	63	79.3 Å²	79.3	34%	0.337	45%	0.446	S	S	.	.			trans	-72.5	135	169	172.6	-5.4	0	0	0	110.3	G705 N803 S804	G705-N801 WeakPolarHBondContact O-CB 3.42Å; G705-N801 PolarHBondContact O-N 3.46Å; N801-N803 PolarHBondContact O-N 2.76Å; N801-N803 WeakPolarHBondContact OD1-CB 3.38Å; N801-N803 PolarHBondContact OD1-N 2.83Å; N801-S804 WeakPolarHBondContact O-CB 3.48Å; N801-S804 PolarHBondContact O-N 2.94Å; N801-S804 PolarHBondContact O-OG 3.46Å
802	R	26	Very low	26.2	Very low	165 Å²	165	85.4 Å²	85.4	62%	0.623	47%	0.467	S	S	*	.	H	α-helix	trans	-49.4	-37.8	173.5	-173.1	-176.8	-173.4	-166.1	3.3	114.1
803	N	30.6	Very low	26.2	Very low	108 Å²	108	87.2 Å²	87.2	58%	0.578	48%	0.475	S	S	*	.	H	α-helix	trans	-71.7	-31	-174.5	-70.1	-17	0	0	0	112.7	N801 W805 L806 S807	N801-N803 PolarHBondContact O-N 2.76Å; N801-N803 WeakPolarHBondContact OD1-CB 3.38Å; N801-N803 PolarHBondContact OD1-N 2.83Å; N803-W805 VanDerWaalsContact C-N 3.29Å; N803-W805 PolarHBondContact O-N 2.81Å; N803-L806 PolarHBondContact O-N 3.17Å; N803-S807 PolarHBondContact O-OG 3.25Å
804	S	29.7	Very low	26.3	Very low	7 Å²	7	86.2 Å²	86.2	5%	0.049	46%	0.461	C	S	.	.	H	α-helix	trans	-64.1	-35.4	-179.4	-46.7	0	0	0	0	112.3	D704 G705 N801 S807 Y808	D704-S804 WeakPolarHBondContact O-CB 3.41Å; D704-S804 PolarHBondContact O-OG 3.43Å; G705-S804 WeakPolarHBondContact CA-OG 3.28Å; N801-S804 WeakPolarHBondContact O-CB 3.48Å; N801-S804 PolarHBondContact O-N 2.94Å; N801-S804 PolarHBondContact O-OG 3.46Å; S804-S807 WeakPolarHBondContact CA-OG 3.37Å; S804-S807 PolarHBondContact O-N 3.12Å; S804-S807 PolarHBondContact O-OG 2.99Å; S804-Y808 VanDerWaalsContact O-CD2 3.3Å; S804-Y808 WeakPolarHBondContact O-CD2 3.18Å
805	W	25.7	Very low	26.2	Very low	72 Å²	72	89.1 Å²	89.1	27%	0.273	47%	0.468	S	S	.	.	H	α-helix	trans	-73.9	-29.8	-179.9	-80.1	71.6	0	0	0	113.4	N803 S807 F813	N803-W805 VanDerWaalsContact C-N 3.29Å; N803-W805 PolarHBondContact O-N 2.81Å; W805-S807 VanDerWaalsContact C-N 3.29Å; W805-F813 HydrophobicContact CB-CD2 3.93Å; W805-F813 HydrophobicContact CB-CE2 3.45Å; W805-F813 VanDerWaalsContact CB-CE2 3.45Å; W805-F813 HydrophobicContact CB-CZ 4.46Å; W805-F813 HydrophobicContact CD2-CD2 4.34Å; W805-F813 HydrophobicContact CD2-CE2 4.25Å; W805-F813 AromaticContact CE3-CD2 3.74Å; W805-F813 HydrophobicContact CE3-CD2 3.74Å; W805-F813 HydrophobicContact CE3-CE2 4.1Å; W805-F813 HydrophobicContact CE3-CG 4.27Å; W805-F813 HydrophobicContact CG-CD2 4.48Å; W805-F813 HydrophobicContact CG-CE2 4.05Å
806	L	28.2	Very low	26.1	Very low	132 Å²	132	95.4 Å²	95.4	69%	0.691	49%	0.494	S	S	*	.	H	α-helix	trans	-69.9	-28.9	175.5	-80.1	164.5	0	0	0	111.9	N803	N803-L806 PolarHBondContact O-N 3.17Å
807	S	29.7	Very low	26.1	Very low	82 Å²	82	96 Å²	96	57%	0.573	49%	0.49	S	S	*	.	H	α-helix	trans	-77.3	-26.8	-178.5	29.8	0	0	0	0	114.3	N803 S804 W805 G809	N803-S807 PolarHBondContact O-OG 3.25Å; S804-S807 WeakPolarHBondContact CA-OG 3.37Å; S804-S807 PolarHBondContact O-N 3.12Å; S804-S807 PolarHBondContact O-OG 2.99Å; W805-S807 VanDerWaalsContact C-N 3.29Å; S807-G809 PolarHBondContact O-N 2.8Å; S807-G809 VanDerWaalsContact O-N 3.09Å
808	Y	25.2	Very low	26.1	Very low	102 Å²	102	96.9 Å²	96.9	40%	0.4	49%	0.492	S	S	.	.	S	Bend	trans	-86.6	79.8	176.3	-74.7	-78.6	0	0	0	110.5	S804 G810 L811	S804-Y808 VanDerWaalsContact O-CD2 3.3Å; S804-Y808 WeakPolarHBondContact O-CD2 3.18Å; Y808-G810 PolarHBondContact O-N 3.24Å; Y808-L811 HydrophobicContact CG-CD1 4.21Å; Y808-L811 PolarHBondContact O-N 2.75Å; Y808-L811 VanDerWaalsContact O-N 3.11Å
809	G	26.5	Very low	26.2	Very low	89 Å²	89	102.3 Å²	102.3	92%	0.918	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	27.5	-175.4	0	0	0	0	0	118.1	S807	S807-G809 PolarHBondContact O-N 2.8Å; S807-G809 VanDerWaalsContact O-N 3.09Å
810	G	23.3	Very low	26.1	Very low	69 Å²	69	96.1 Å²	96.1	71%	0.711	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	-13	173.3	0	0	0	0	0	113.7	Y808 K812	Y808-G810 PolarHBondContact O-N 3.24Å; G810-K812 PolarHBondContact O-N 2.81Å; G810-K812 VanDerWaalsContact O-N 3.08Å
811	L	24.6	Very low	26.2	Very low	76 Å²	76	95 Å²	95	40%	0.398	49%	0.489	S	S	.	.			trans	-76	104.6	174.6	-70.7	170.3	0	0	0	106.9	Y808 F813	Y808-L811 HydrophobicContact CG-CD1 4.21Å; Y808-L811 PolarHBondContact O-N 2.75Å; Y808-L811 VanDerWaalsContact O-N 3.11Å; L811-F813 PolarHBondContact O-N 3.27Å
812	K	25.3	Very low	26.2	Very low	191 Å²	191	95.6 Å²	95.6	83%	0.83	49%	0.492	S	S	*	.			trans	-57.3	95.1	163.1	-72.2	178.6	-177.4	173.4	0	105.5	G810	G810-K812 PolarHBondContact O-N 2.81Å; G810-K812 VanDerWaalsContact O-N 3.08Å
813	F	24.3	Very low	26.4	Very low	66 Å²	66	93.7 Å²	93.7	29%	0.289	49%	0.49	S	S	.	.			trans	-30.9	143	157.9	-141	-92	0	0	0	107.3	W805 L811 R815	W805-F813 HydrophobicContact CB-CD2 3.93Å; W805-F813 HydrophobicContact CB-CE2 3.45Å; W805-F813 VanDerWaalsContact CB-CE2 3.45Å; W805-F813 HydrophobicContact CB-CZ 4.46Å; W805-F813 HydrophobicContact CD2-CD2 4.34Å; W805-F813 HydrophobicContact CD2-CE2 4.25Å; W805-F813 AromaticContact CE3-CD2 3.74Å; W805-F813 HydrophobicContact CE3-CD2 3.74Å; W805-F813 HydrophobicContact CE3-CE2 4.1Å; W805-F813 HydrophobicContact CE3-CG 4.27Å; W805-F813 HydrophobicContact CG-CD2 4.48Å; W805-F813 HydrophobicContact CG-CE2 4.05Å; L811-F813 PolarHBondContact O-N 3.27Å; F813-R815 HydrophobicContact CB-CG 4.24Å; F813-R815 HydrophobicContact CD1-CG 4.4Å; F813-R815 PolarHBondContact O-N 3.43Å
814	P	25.3	Very low	26.3	Very low	23 Å²	23	90.4 Å²	90.4	15%	0.149	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-63.4	22	179.1	24.3	-31.2	0	0	0	113	F816 L817 L818 W826	P814-F816 PolarHBondContact O-N 2.66Å; P814-L817 HydrophobicContact CB-CB 4.34Å; P814-L817 CarbonylContact O-C 3.57Å; P814-L817 WeakPolarHBondContact O-CA 3.32Å; P814-L817 PolarHBondContact O-N 3.28Å; P814-L818 HydrophobicContact CB-CD1 4.18Å; P814-L818 HydrophobicContact CB-CG 4.48Å; P814-L818 HydrophobicContact CG-CD1 3.9Å; P814-L818 WeakPolarHBondContact O-CB 3.49Å; P814-L818 PolarHBondContact O-N 3.36Å; P814-W826 HydrophobicContact CG-CZ3 4.47Å
815	R	23.4	Very low	26.3	Very low	147 Å²	147	98.4 Å²	98.4	56%	0.555	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-40.8	-28.2	160.2	-83.5	-173.2	165.4	-173.5	-4.9	114.4	F813 R819 D822	F813-R815 HydrophobicContact CB-CG 4.24Å; F813-R815 HydrophobicContact CD1-CG 4.4Å; F813-R815 PolarHBondContact O-N 3.43Å; R815-R819 WeakPolarHBondContact O-CA 3.48Å; R815-R819 PolarHBondContact O-N 3.38Å; R815-D822 IonicContact NE-OD1 2.75Å; R815-D822 IonicContact NH2-OD1 3.95Å; R815-D822 PolarHBondContact NH2-OD1 2.83Å; R815-D822 IonicContact NH2-OD2 3.89Å
816	F	25.1	Very low	26.5	Very low	189 Å²	189	99.9 Å²	99.9	83%	0.829	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-77.2	-32.5	172.5	-130.5	-83	0	0	0	113.5	P814	P814-F816 PolarHBondContact O-N 2.66Å
817	L	24.6	Very low	26.6	Very low	106 Å²	106	97.8 Å²	97.8	56%	0.555	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-31.9	175	-80	162.7	0	0	0	113	P814	P814-L817 HydrophobicContact CB-CB 4.34Å; P814-L817 CarbonylContact O-C 3.57Å; P814-L817 WeakPolarHBondContact O-CA 3.32Å; P814-L817 PolarHBondContact O-N 3.28Å
818	L	24.7	Very low	26.5	Very low	27 Å²	27	95.6 Å²	95.6	14%	0.141	49%	0.491	C	S	.	.	S	Bend	trans	-102.4	3.4	-176	-70	171.9	0	0	0	113.4	P814 G820 D821 L920	P814-L818 HydrophobicContact CB-CD1 4.18Å; P814-L818 HydrophobicContact CB-CG 4.48Å; P814-L818 HydrophobicContact CG-CD1 3.9Å; P814-L818 WeakPolarHBondContact O-CB 3.49Å; P814-L818 PolarHBondContact O-N 3.36Å; L818-G820 PolarHBondContact O-N 3.3Å; L818-D821 HydrophobicContact CB-CB 4.34Å; L818-D821 PolarHBondContact O-N 3.17Å; L818-L920 HydrophobicContact CD2-CD2 3.19Å; L818-L920 HydrophobicContact CG-CD2 4.36Å
819	R	27.3	Very low	26.5	Very low	220 Å²	220	91.7 Å²	91.7	83%	0.83	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.1	46.2	179.5	-77.6	-167.2	177.4	-171.5	1.8	114.9	R815	R815-R819 WeakPolarHBondContact O-CA 3.48Å; R815-R819 PolarHBondContact O-N 3.38Å
820	G	24.4	Very low	26.5	Very low	41 Å²	41	90.8 Å²	90.8	42%	0.423	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	16.1	174.2	0	0	0	0	0	116.3	L818 D822	L818-G820 PolarHBondContact O-N 3.3Å; G820-D822 PolarHBondContact O-N 2.69Å
821	D	28.5	Very low	26.5	Very low	21 Å²	21	91.4 Å²	91.4	11%	0.112	43%	0.431	C	S	.	.			trans	-74.8	106.7	167.8	-168.1	-13.8	0	0	0	110.4	L818 H823 T824	L818-D821 HydrophobicContact CB-CB 4.34Å; L818-D821 PolarHBondContact O-N 3.17Å; D821-H823 WeakPolarHBondContact OD1-CA 3.33Å; D821-H823 PolarHBondContact OD1-N 2.74Å; D821-T824 PolarHBondContact OD1-N 3.29Å; D821-T824 PolarHBondContact OD1-OG1 3.35Å; D821-T824 PolarHBondContact OD2-OG1 3.35Å
822	D	28.9	Very low	26.4	Very low	74 Å²	74	89.1 Å²	89.1	40%	0.396	43%	0.426	S	S	.	.	S	Bend	trans	-93.5	8.2	178.6	-58.7	-18.1	0	0	0	111.9	R815 G820	R815-D822 IonicContact NE-OD1 2.75Å; R815-D822 IonicContact NH2-OD1 3.95Å; R815-D822 PolarHBondContact NH2-OD1 2.83Å; R815-D822 IonicContact NH2-OD2 3.89Å; G820-D822 PolarHBondContact O-N 2.69Å
823	H	28.7	Very low	26.4	Very low	126 Å²	126	84.5 Å²	84.5	58%	0.583	41%	0.41	S	S	*	.			trans	-123.5	-11.7	-169.4	-63.1	-20.4	0	0	0	114.8	D821 Y825	D821-H823 WeakPolarHBondContact OD1-CA 3.33Å; D821-H823 PolarHBondContact OD1-N 2.74Å; H823-Y825 PolarHBondContact O-N 2.82Å
824	T	29.5	Very low	26.3	Very low	39 Å²	39	83.8 Å²	83.8	24%	0.239	41%	0.411	C	S	.	.			trans	-71.4	123.9	176.3	-15.9	0	0	0	0	111.9	D821	D821-T824 PolarHBondContact OD1-N 3.29Å; D821-T824 PolarHBondContact OD1-OG1 3.35Å; D821-T824 PolarHBondContact OD2-OG1 3.35Å
825	Y	30.3	Very low	26.3	Very low	175 Å²	175	84.9 Å²	84.9	69%	0.686	42%	0.419	S	S	*	.			trans	-79.2	147.6	170.3	-65.9	-83.1	0	0	0	110.9	H823 S827 S828	H823-Y825 PolarHBondContact O-N 2.82Å; Y825-S827 PolarHBondContact O-N 3.18Å; Y825-S828 WeakPolarHBondContact O-CB 3.43Å; Y825-S828 PolarHBondContact O-N 3.11Å; Y825-S828 PolarHBondContact O-OG 3.06Å
826	W	29.5	Very low	26.3	Very low	102 Å²	102	84.7 Å²	84.7	39%	0.386	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-62.7	-28.6	-177.1	-150.1	-128.8	0	0	0	113.6	P814 S828 V829	P814-W826 HydrophobicContact CG-CZ3 4.47Å; W826-S828 PolarHBondContact O-N 2.93Å; W826-S828 VanDerWaalsContact O-N 3.12Å; W826-V829 HydrophobicContact CE3-CB 4.21Å; W826-V829 HydrophobicContact CE3-CG2 3.75Å; W826-V829 HydrophobicContact CH2-CG1 4.48Å; W826-V829 HydrophobicContact CZ3-CB 4.3Å; W826-V829 HydrophobicContact CZ3-CG1 4.28Å; W826-V829 HydrophobicContact CZ3-CG2 3.88Å; W826-V829 PolarHBondContact O-N 2.89Å; W826-V829 VanDerWaalsContact O-N 3.15Å
827	S	29.6	Very low	26.5	Very low	89 Å²	89	81.5 Å²	81.5	62%	0.622	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20.7	172.1	51.1	0	0	0	0	113.3	Y825	Y825-S827 PolarHBondContact O-N 3.18Å
828	S	28.2	Very low	26.8	Very low	36 Å²	36	79.3 Å²	79.3	25%	0.252	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-91.2	-16	179.9	-49.6	0	0	0	0	113.9	Y825 W826 H923	Y825-S828 WeakPolarHBondContact O-CB 3.43Å; Y825-S828 PolarHBondContact O-N 3.11Å; Y825-S828 PolarHBondContact O-OG 3.06Å; W826-S828 PolarHBondContact O-N 2.93Å; W826-S828 VanDerWaalsContact O-N 3.12Å; S828-H923 PolarHBondContact O-CD2 3.47Å; S828-H923 VanDerWaalsContact O-CD2 3.25Å
829	V	25.8	Very low	27	Very low	19 Å²	19	80.4 Å²	80.4	12%	0.115	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-30.5	-178.1	-180	0	0	0	0	111.6	W826 F831 G832 L920	W826-V829 HydrophobicContact CE3-CB 4.21Å; W826-V829 HydrophobicContact CE3-CG2 3.75Å; W826-V829 HydrophobicContact CH2-CG1 4.48Å; W826-V829 HydrophobicContact CZ3-CB 4.3Å; W826-V829 HydrophobicContact CZ3-CG1 4.28Å; W826-V829 HydrophobicContact CZ3-CG2 3.88Å; W826-V829 PolarHBondContact O-N 2.89Å; W826-V829 VanDerWaalsContact O-N 3.15Å; V829-F831 PolarHBondContact O-N 2.77Å; V829-G832 PolarHBondContact O-N 3.19Å; V829-L920 HydrophobicContact CG1-CD1 4.38Å; V829-L920 HydrophobicContact CG1-CD2 4.36Å; V829-L920 HydrophobicContact CG2-CD2 4.36Å
830	F	25.1	Very low	27.2	Very low	70 Å²	70	74.6 Å²	74.6	31%	0.307	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-67.5	-32.1	-169.6	-132.8	-81.7	0	0	0	113.9	I795 G832 L833	I795-F830 HydrophobicContact CG2-CD1 4.02Å; I795-F830 HydrophobicContact CG2-CE1 3.33Å; I795-F830 HydrophobicContact CG2-CE2 4.29Å; I795-F830 HydrophobicContact CG2-CZ 3.48Å; I795-F830 VanDerWaalsContact CG2-CZ 3.48Å; F830-G832 PolarHBondContact O-N 3.08Å; F830-L833 PolarHBondContact O-N 3.29Å
831	F	24	Very low	27.6	Very low	82 Å²	82	75.7 Å²	75.7	36%	0.36	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-67.7	-16.5	178.6	-74.3	-86.8	0	0	0	114	D785 F792 V829 T834	D785-F831 WeakPolarHBondContact OD1-CE1 3.15Å; F792-F831 HydrophobicContact CD1-CZ 4.31Å; F792-F831 AromaticContact CD2-CE1 3.95Å; F792-F831 HydrophobicContact CD2-CE1 3.95Å; F792-F831 HydrophobicContact CD2-CZ 4.1Å; F792-F831 HydrophobicContact CE1-CD1 4.13Å; F792-F831 AromaticContact CE1-CE1 3.84Å; F792-F831 HydrophobicContact CE1-CE1 3.84Å; F792-F831 HydrophobicContact CE1-CE2 4.33Å; F792-F831 AromaticContact CE1-CZ 3.94Å; F792-F831 HydrophobicContact CE1-CZ 3.94Å; F792-F831 AromaticContact CE2-CD1 3.84Å; F792-F831 HydrophobicContact CE2-CD1 3.84Å; F792-F831 AromaticContact CE2-CE1 3.14Å; F792-F831 HydrophobicContact CE2-CE1 3.14Å; F792-F831 AromaticContact CE2-CZ 3.71Å; F792-F831 HydrophobicContact CE2-CZ 3.71Å; F792-F831 HydrophobicContact CG-CZ 4.41Å; F792-F831 AromaticContact CZ-CD1 3.37Å; F792-F831 HydrophobicContact CZ-CD1 3.37Å; F792-F831 AromaticContact CZ-CE1 3.09Å; F792-F831 HydrophobicContact CZ-CE1 3.09Å; F792-F831 HydrophobicContact CZ-CE2 4.36Å; F792-F831 HydrophobicContact CZ-CG 4.14Å; F792-F831 AromaticContact CZ-CZ 3.65Å; F792-F831 HydrophobicContact CZ-CZ 3.65Å; V829-F831 PolarHBondContact O-N 2.77Å; F831-T834 PolarHBondContact O-OG1 2.94Å
832	G	22.7	Very low	27.7	Very low	28 Å²	28	75.7 Å²	75.7	29%	0.289	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-80.9	-11.6	-179.2	0	0	0	0	0	114.9	V829 F830	V829-G832 PolarHBondContact O-N 3.19Å; F830-G832 PolarHBondContact O-N 3.08Å
833	L	23.8	Very low	27.9	Very low	94 Å²	94	73.6 Å²	73.6	49%	0.492	36%	0.364	S	S	.	.	S	Bend	trans	-106.4	-1.5	-170.8	-72.6	164.9	0	0	0	114.2	V743 F830	V743-L833 HydrophobicContact CG1-CB 4.2Å; V743-L833 HydrophobicContact CG1-CD1 3.95Å; F830-L833 PolarHBondContact O-N 3.29Å
834	T	22.6	Very low	28.3	Very low	51 Å²	51	69.6 Å²	69.6	31%	0.313	35%	0.348	S	S	.	.	S	Bend	trans	-75.9	127	177.2	5.8	0	0	0	0	110.8	W788 F831 H836	W788-T834 HydrophobicContact CE3-CG2 4.4Å; W788-T834 HydrophobicContact CH2-CG2 4.04Å; W788-T834 HydrophobicContact CZ3-CG2 3.81Å; F831-T834 PolarHBondContact O-OG1 2.94Å; T834-H836 PolarHBondContact O-N 2.83Å
835	P	24.9	Very low	28.5	Very low	47 Å²	47	73.8 Å²	73.8	31%	0.305	36%	0.363	S	S	.	.			trans	-85.7	109.3	-165.5	1.2	18.5	0	0	0	111.3	A747 Y837	A747-P835 HydrophobicContact CB-CG 4.06Å; P835-Y837 PolarHBondContact O-N 2.96Å
836	H	24.3	Very low	28.5	Very low	142 Å²	142	69 Å²	69	66%	0.657	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	12.3	169.5	-77.3	-87.3	0	0	0	115.5	T834 E838	T834-H836 PolarHBondContact O-N 2.83Å; H836-E838 VanDerWaalsContact C-N 3.34Å
837	Y	28.5	Very low	28.6	Very low	123 Å²	123	67.1 Å²	67.1	48%	0.482	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-32.2	176.1	-113.3	-88.6	0	0	0	112.4	P835 I839 K840 I841 S885	P835-Y837 PolarHBondContact O-N 2.96Å; Y837-I839 VanDerWaalsContact C-N 3.31Å; Y837-I839 PolarHBondContact O-N 3.11Å; Y837-K840 PolarHBondContact O-N 3.24Å; Y837-I841 PolarHBondContact O-N 3.02Å; Y837-S885 PolarHBondContact OH-OG 2.81Å
838	E	31.1	Very low	28.8	Very low	59 Å²	59	66 Å²	66	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-33.2	-177.4	-66.8	124.1	-166.5	0	0	112.7	H836 L842	H836-E838 VanDerWaalsContact C-N 3.34Å; E838-L842 PolarHBondContact O-N 2.8Å
839	I	30.4	Very low	28.8	Very low	51 Å²	51	68.8 Å²	68.8	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-37.7	178.3	-67.2	175.1	0	0	0	111.1	L771 Y837 L842 L843	L771-I839 HydrophobicContact CD2-CG1 4.17Å; Y837-I839 VanDerWaalsContact C-N 3.31Å; Y837-I839 PolarHBondContact O-N 3.11Å; I839-L842 VanDerWaalsContact O-CB 3.24Å; I839-L842 WeakPolarHBondContact O-CB 3.47Å; I839-L842 PolarHBondContact O-N 3.11Å; I839-L843 HydrophobicContact CG2-CD1 3.97Å; I839-L843 HydrophobicContact CG2-CG 4.39Å; I839-L843 VanDerWaalsContact O-CG 3.3Å; I839-L843 WeakPolarHBondContact O-CG 3.44Å; I839-L843 PolarHBondContact O-N 3.12Å; I839-L843 VanDerWaalsContact O-N 3.07Å
840	K	30.8	Very low	29.3	Very low	97 Å²	97	70.3 Å²	70.3	42%	0.422	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-43.2	179.3	-169.5	-176.6	176.6	-170.9	0	111.4	Y837 L842 L843 V844	Y837-K840 PolarHBondContact O-N 3.24Å; K840-L842 VanDerWaalsContact C-N 3.27Å; K840-L842 PolarHBondContact O-N 2.83Å; K840-L843 PolarHBondContact O-N 2.8Å; K840-V844 WeakPolarHBondContact O-CG2 3.33Å; K840-V844 PolarHBondContact O-N 2.83Å; K840-V844 VanDerWaalsContact O-N 3.07Å
841	I	32.6	Very low	29.8	Very low	65 Å²	65	70.2 Å²	70.2	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-41.5	176.3	-64.8	171.6	0	0	0	110.5	Y837 L843 K845	Y837-I841 PolarHBondContact O-N 3.02Å; I841-L843 PolarHBondContact O-N 2.81Å; I841-K845 HydrophobicContact CG2-CD 4.21Å; I841-K845 WeakPolarHBondContact O-CB 3.34Å; I841-K845 WeakPolarHBondContact O-CG 3.49Å; I841-K845 PolarHBondContact O-N 2.87Å
842	L	31.3	Very low	30.5	Very low	20 Å²	20	71.4 Å²	71.4	11%	0.105	38%	0.377	C	S	.	.	H	α-helix	trans	-56.6	-48.8	174.8	-133.7	85.2	0	0	0	111.7	F763 V768 L771 E838 I839 K840 K845 L846	F763-L842 HydrophobicContact CD1-CD1 4.27Å; F763-L842 HydrophobicContact CE1-CD1 3.34Å; F763-L842 HydrophobicContact CZ-CD1 3.49Å; F763-L842 VanDerWaalsContact CZ-CD1 3.49Å; V768-L842 HydrophobicContact CB-CD2 4.06Å; V768-L842 HydrophobicContact CG1-CD2 3.48Å; V768-L842 VanDerWaalsContact CG1-CD2 3.48Å; V768-L842 HydrophobicContact CG1-CG 3.86Å; V768-L842 HydrophobicContact CG2-CD1 4.09Å; V768-L842 HydrophobicContact CG2-CD2 3.99Å; V768-L842 HydrophobicContact CG2-CG 4.09Å; L771-L842 HydrophobicContact CD2-CD2 4.36Å; E838-L842 PolarHBondContact O-N 2.8Å; I839-L842 VanDerWaalsContact O-CB 3.24Å; I839-L842 WeakPolarHBondContact O-CB 3.47Å; I839-L842 PolarHBondContact O-N 3.11Å; K840-L842 VanDerWaalsContact C-N 3.27Å; K840-L842 PolarHBondContact O-N 2.83Å; L842-K845 PolarHBondContact O-N 3.37Å; L842-L846 WeakPolarHBondContact O-CB 3.21Å; L842-L846 WeakPolarHBondContact O-CD1 3.22Å; L842-L846 WeakPolarHBondContact O-CG 3.46Å; L842-L846 PolarHBondContact O-N 3.4Å
843	L	32.4	Very low	30.7	Very low	30 Å²	30	72.7 Å²	72.7	16%	0.157	39%	0.391	C	S	.	.	H	α-helix	trans	-70	-34.7	-175	-66.9	171.7	0	0	0	113.3	Y772 I839 K840 I841 G847 I848 W849	Y772-L843 HydrophobicContact CD2-CD2 3.62Å; Y772-L843 HydrophobicContact CE2-CD2 3.44Å; Y772-L843 VanDerWaalsContact CE2-CD2 3.44Å; I839-L843 HydrophobicContact CG2-CD1 3.97Å; I839-L843 HydrophobicContact CG2-CG 4.39Å; I839-L843 VanDerWaalsContact O-CG 3.3Å; I839-L843 WeakPolarHBondContact O-CG 3.44Å; I839-L843 PolarHBondContact O-N 3.12Å; I839-L843 VanDerWaalsContact O-N 3.07Å; K840-L843 PolarHBondContact O-N 2.8Å; I841-L843 PolarHBondContact O-N 2.81Å; L843-G847 PolarHBondContact O-N 3.14Å; L843-I848 HydrophobicContact CD2-CD1 4.22Å; L843-I848 PolarHBondContact O-N 3.36Å; L843-W849 HydrophobicContact CB-CB 4.14Å; L843-W849 PolarHBondContact O-N 3.33Å
844	V	36	Very low	30.7	Very low	42 Å²	42	78.1 Å²	78.1	26%	0.255	41%	0.405	S	S	.	.	H	α-helix	trans	-67.3	-45.8	172.2	175.1	0	0	0	0	110.1	K840 L846 G847 W849	K840-V844 WeakPolarHBondContact O-CG2 3.33Å; K840-V844 PolarHBondContact O-N 2.83Å; K840-V844 VanDerWaalsContact O-N 3.07Å; V844-L846 VanDerWaalsContact C-N 3.26Å; V844-L846 PolarHBondContact O-N 2.78Å; V844-G847 PolarHBondContact O-N 2.83Å; V844-W849 HydrophobicContact CG2-CB 4.04Å; V844-W849 HydrophobicContact CG2-CG 4.14Å
845	K	34.1	Very low	31.1	Very low	127 Å²	127	83.2 Å²	83.2	55%	0.552	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-31.4	177.2	-78.6	-174.7	175.7	-178.1	0	113.4	F763 I841 L842 G847	F763-K845 HydrophobicContact CE2-CD 3.91Å; I841-K845 HydrophobicContact CG2-CD 4.21Å; I841-K845 WeakPolarHBondContact O-CB 3.34Å; I841-K845 WeakPolarHBondContact O-CG 3.49Å; I841-K845 PolarHBondContact O-N 2.87Å; L842-K845 PolarHBondContact O-N 3.37Å; K845-G847 PolarHBondContact O-N 3.24Å
846	L	31.7	Very low	31.5	Very low	74 Å²	74	84.5 Å²	84.5	39%	0.387	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.4	175.7	-66.8	166.8	0	0	0	113.4	V768 L842 V844 I848	V768-L846 HydrophobicContact CG1-CD1 3.4Å; V768-L846 VanDerWaalsContact CG1-CD1 3.4Å; V768-L846 HydrophobicContact CG1-CD2 3.87Å; V768-L846 HydrophobicContact CG1-CG 4.03Å; L842-L846 WeakPolarHBondContact O-CB 3.21Å; L842-L846 WeakPolarHBondContact O-CD1 3.22Å; L842-L846 WeakPolarHBondContact O-CG 3.46Å; L842-L846 PolarHBondContact O-N 3.4Å; V844-L846 VanDerWaalsContact C-N 3.26Å; V844-L846 PolarHBondContact O-N 2.78Å; L846-I848 HydrophobicContact CB-CD1 3.78Å; L846-I848 HydrophobicContact CB-CG1 3.83Å; L846-I848 HydrophobicContact CD1-CD1 3.86Å; L846-I848 HydrophobicContact CG-CD1 4.48Å; L846-I848 PolarHBondContact O-N 3.23Å; L846-I848 VanDerWaalsContact O-N 3.12Å
847	G	31.1	Very low	31.6	Very low	63 Å²	63	88.5 Å²	88.5	65%	0.649	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	11.3	-176.5	0	0	0	0	0	114	L843 V844 K845	L843-G847 PolarHBondContact O-N 3.14Å; V844-G847 PolarHBondContact O-N 2.83Å; K845-G847 PolarHBondContact O-N 3.24Å
848	I	32.6	Very low	31.7	Very low	65 Å²	65	87.7 Å²	87.7	33%	0.333	44%	0.44	S	S	.	.	S	Bend	trans	-74.5	-26.3	174.6	-58	172.2	0	0	0	109.4	Y772 L843 L846 W855	Y772-I848 HydrophobicContact CD2-CD1 4.42Å; Y772-I848 HydrophobicContact CE2-CD1 4.09Å; L843-I848 HydrophobicContact CD2-CD1 4.22Å; L843-I848 PolarHBondContact O-N 3.36Å; L846-I848 HydrophobicContact CB-CD1 3.78Å; L846-I848 HydrophobicContact CB-CG1 3.83Å; L846-I848 HydrophobicContact CD1-CD1 3.86Å; L846-I848 HydrophobicContact CG-CD1 4.48Å; L846-I848 PolarHBondContact O-N 3.23Å; L846-I848 VanDerWaalsContact O-N 3.12Å; I848-W855 HydrophobicContact CG2-CH2 4.19Å
849	W	29.5	Very low	31.4	Very low	95 Å²	95	90.3 Å²	90.3	36%	0.36	46%	0.455	S	S	.	.	S	Bend	trans	-117.7	128.1	179.9	-163	-74.7	0	0	0	109.9	L843 V844 W855	L843-W849 HydrophobicContact CB-CB 4.14Å; L843-W849 PolarHBondContact O-N 3.33Å; V844-W849 HydrophobicContact CG2-CB 4.04Å; V844-W849 HydrophobicContact CG2-CG 4.14Å; W849-W855 HydrophobicContact CD2-CZ3 4.45Å; W849-W855 HydrophobicContact CE3-CE3 4.11Å; W849-W855 AromaticContact CE3-CZ3 3.55Å; W849-W855 HydrophobicContact CE3-CZ3 3.55Å; W849-W855 HydrophobicContact CZ3-CE3 4.11Å; W849-W855 AromaticContact CZ3-CZ3 3.66Å; W849-W855 HydrophobicContact CZ3-CZ3 3.66Å
850	S	35.1	Very low	31.1	Very low	51 Å²	51	90.9 Å²	90.9	36%	0.357	46%	0.464	S	S	.	.			trans	-99.7	139.8	169.1	79.2	0	0	0	0	110.7	D852 G853 W854	S850-D852 WeakPolarHBondContact CB-OD1 3.44Å; S850-D852 PolarHBondContact O-N 3.3Å; S850-D852 PolarHBondContact OG-OD1 2.96Å; S850-G853 PolarHBondContact O-N 3.4Å; S850-G853 VanDerWaalsContact O-N 3.12Å; S850-W854 PolarHBondContact OG-O 2.99Å
851	D	36.4	Very low	30.9	Very low	69 Å²	69	90.3 Å²	90.3	37%	0.369	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17	-170.4	-78.1	-27.3	0	0	0	114.3	G853 Q881	D851-G853 PolarHBondContact O-N 3.37Å; D851-Q881 HydrophobicContact CB-CB 4.16Å; D851-Q881 HydrophobicContact CB-CG 4.36Å; D851-Q881 WeakPolarHBondContact OD2-CB 3.4Å; D851-Q881 PolarHBondContact OD2-OE1 2.63Å
852	D	39	Very low	30.4	Very low	107 Å²	107	93 Å²	93	57%	0.572	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.6	172.6	43.2	-7.7	0	0	0	113.2	S850 W854	S850-D852 WeakPolarHBondContact CB-OD1 3.44Å; S850-D852 PolarHBondContact O-N 3.3Å; S850-D852 PolarHBondContact OG-OD1 2.96Å; D852-W854 VanDerWaalsContact C-N 3.31Å; D852-W854 PolarHBondContact O-N 3.26Å
853	G	26.4	Very low	30	Very low	55 Å²	55	100.7 Å²	100.7	57%	0.567	52%	0.516	S	S	*	.	S	Bend	trans	78.8	11.3	171.2	0	0	0	0	0	114.6	S850 D851	S850-G853 PolarHBondContact O-N 3.4Å; S850-G853 VanDerWaalsContact O-N 3.12Å; D851-G853 PolarHBondContact O-N 3.37Å
854	W	25	Very low	29.6	Very low	208 Å²	208	107.4 Å²	107.4	79%	0.788	55%	0.547	S	S	*	.			trans	-106.6	108	177.8	-71.2	78.3	0	0	0	111.3	S850 D852	S850-W854 PolarHBondContact OG-O 2.99Å; D852-W854 VanDerWaalsContact C-N 3.31Å; D852-W854 PolarHBondContact O-N 3.26Å
855	W	30.1	Very low	28.9	Very low	158 Å²	158	115.5 Å²	115.5	60%	0.598	57%	0.573	S	S	*	*			trans	-89	146.9	173.4	-167.5	-79.2	0	0	0	110.9	I848 W849	I848-W855 HydrophobicContact CG2-CH2 4.19Å; W849-W855 HydrophobicContact CD2-CZ3 4.45Å; W849-W855 HydrophobicContact CE3-CE3 4.11Å; W849-W855 AromaticContact CE3-CZ3 3.55Å; W849-W855 HydrophobicContact CE3-CZ3 3.55Å; W849-W855 HydrophobicContact CZ3-CE3 4.11Å; W849-W855 AromaticContact CZ3-CZ3 3.66Å; W849-W855 HydrophobicContact CZ3-CZ3 3.66Å
856	P	33.6	Very low	28.3	Very low	74 Å²	74	121.4 Å²	121.4	48%	0.481	59%	0.592	S	S	.	*			cis	-107.3	157.1	-41.1	32.3	-14.5	0	0	0	110.3	D858	P856-D858 PolarHBondContact O-N 3.1Å
857	R	25.9	Very low	27.8	Very low	225 Å²	225	120.8 Å²	120.8	85%	0.849	60%	0.603	S	S	*	*	S	Bend	trans	-62.1	115.1	166.8	-74.5	-170.6	-177.8	-159.9	2.4	108.4
858	D	30	Very low	27.4	Very low	106 Å²	106	125.6 Å²	125.6	57%	0.567	61%	0.612	S	S	*	*			trans	2.7	111.2	175.7	-169.4	1.8	0	0	0	116	P856 S860 T861	P856-D858 PolarHBondContact O-N 3.1Å; D858-S860 PolarHBondContact O-N 2.98Å; D858-S860 PolarHBondContact OD1-N 2.72Å; D858-S860 VanDerWaalsContact OD1-N 3.15Å; D858-S860 PolarHBondContact OD1-OG 3.43Å; D858-S860 PolarHBondContact OD2-OG 2.7Å; D858-T861 PolarHBondContact O-N 3.22Å; D858-T861 PolarHBondContact O-OG1 3.08Å
859	L	25.1	Very low	26.9	Very low	114 Å²	114	129.9 Å²	129.9	60%	0.597	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	-21.7	176.4	-85.4	155.7	0	0	0	113.8	T861 L862	L859-T861 PolarHBondContact O-N 3.08Å; L859-L862 PolarHBondContact O-N 2.9Å
860	S	25.7	Very low	26.6	Very low	64 Å²	64	131.3 Å²	131.3	45%	0.448	64%	0.644	S	S	.	*	H	α-helix	trans	-59.1	-26.4	173.9	70.6	0	0	0	0	113.1	D858	D858-S860 PolarHBondContact O-N 2.98Å; D858-S860 PolarHBondContact OD1-N 2.72Å; D858-S860 VanDerWaalsContact OD1-N 3.15Å; D858-S860 PolarHBondContact OD1-OG 3.43Å; D858-S860 PolarHBondContact OD2-OG 2.7Å
861	T	24.6	Very low	26.1	Very low	84 Å²	84	135.2 Å²	135.2	52%	0.515	66%	0.661	S	S	.	*	H	α-helix	trans	-84.2	-22.1	-177.8	54.3	0	0	0	0	114.7	D858 L859	D858-T861 PolarHBondContact O-N 3.22Å; D858-T861 PolarHBondContact O-OG1 3.08Å; L859-T861 PolarHBondContact O-N 3.08Å
862	L	23.1	Very low	25.5	Very low	123 Å²	123	134.1 Å²	134.1	64%	0.644	66%	0.659	S	S	*	*	H	α-helix	trans	-76.7	-26.3	-176.5	-91	160.3	0	0	0	113.8	L859	L859-L862 PolarHBondContact O-N 2.9Å
863	F	23.8	Very low	24.8	Very low	180 Å²	180	132.7 Å²	132.7	79%	0.789	66%	0.662	S	S	*	*	H	α-helix	trans	-107.4	-20.4	-173.1	-72.6	-75.4	0	0	0	115.1
864	E	23.6	Very low	24.6	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	67%	0.669	S	S	*	*	H	α-helix	trans	-94.8	-18.8	-176.7	-70.2	-163.7	162.4	0	0	114.9
865	R	21.5	Very low	24.5	Very low	212 Å²	212	130.4 Å²	130.4	80%	0.8	66%	0.658	S	S	*	*	S	Bend	trans	-101.8	101	176.7	-70.7	-170.1	-179.7	-174	1.6	111.3	G867	R865-G867 PolarHBondContact O-N 3.44Å
866	R	21.4	Very low	24.1	Very low	251 Å²	251	127.8 Å²	127.8	95%	0.947	66%	0.663	S	S	*	*			trans	-49.7	106.8	166.8	-63.9	177.9	178	-175.9	-0.8	110.1
867	G	20.9	Very low	23.5	Very low	61 Å²	61	130.7 Å²	130.7	63%	0.629	67%	0.674	S	S	*	*	S	Bend	trans	90.2	131.8	169	0	0	0	0	0	114.3	R865 Q869	R865-G867 PolarHBondContact O-N 3.44Å; G867-Q869 PolarHBondContact O-N 3.47Å
868	I	22.8	Very low	23.3	Very low	164 Å²	164	126.1 Å²	126.1	84%	0.841	67%	0.665	S	S	*	*			trans	-66.9	111.4	174.6	-60.4	168.7	0	0	0	107.6	I870	I868-I870 HydrophobicContact CG2-CG1 4.12Å
869	Q	21.7	Very low	22.8	Very low	155 Å²	155	127.4 Å²	127.4	72%	0.724	67%	0.668	S	S	*	*			trans	-94.7	107.6	175.6	-161.2	179.9	-30.8	0	0	108.6	G867 D871	G867-Q869 PolarHBondContact O-N 3.47Å; Q869-D871 WeakPolarHBondContact CG-OD1 3.2Å; Q869-D871 PolarHBondContact NE2-OD1 2.85Å; Q869-D871 PolarHBondContact O-N 2.98Å
870	I	22.2	Very low	22.6	Very low	124 Å²	124	129.8 Å²	129.8	64%	0.636	68%	0.678	S	S	*	*			trans	-88.5	97.7	175	-56.9	174.6	0	0	0	106.5	I868 S872	I868-I870 HydrophobicContact CG2-CG1 4.12Å; I870-S872 VanDerWaalsContact C-N 3.26Å; I870-S872 PolarHBondContact O-N 2.98Å
871	D	25.8	Very low	22.4	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	68%	0.684	S	S	*	*			trans	-71.6	-12.9	-167.2	-78.6	-31.3	0	0	0	114.8	Q869	Q869-D871 WeakPolarHBondContact CG-OD1 3.2Å; Q869-D871 PolarHBondContact NE2-OD1 2.85Å; Q869-D871 PolarHBondContact O-N 2.98Å
872	S	24.2	Very low	22.2	Very low	47 Å²	47	133.2 Å²	133.2	33%	0.329	69%	0.688	S	S	.	*			trans	-168.8	142.1	158.5	97.7	0	0	0	0	111.8	I870 N874 S875	I870-S872 VanDerWaalsContact C-N 3.26Å; I870-S872 PolarHBondContact O-N 2.98Å; S872-N874 PolarHBondContact O-N 2.95Å; S872-N874 PolarHBondContact OG-N 2.78Å; S872-S875 PolarHBondContact O-N 2.89Å; S872-S875 VanDerWaalsContact O-N 3.15Å; S872-S875 PolarHBondContact OG-OG 2.95Å
873	A	22.8	Very low	22	Very low	77 Å²	77	129.4 Å²	129.4	64%	0.636	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-61.3	-23	175.1	0	0	0	0	0	113.3	S875 C876	A873-S875 PolarHBondContact O-N 3.31Å; A873-C876 PolarHBondContact O-N 3.36Å
874	N	22.8	Very low	21.8	Very low	134 Å²	134	129.2 Å²	129.2	72%	0.717	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-69.3	-17.1	178.4	-67.1	-16.1	0	0	0	112.8	S872	S872-N874 PolarHBondContact O-N 2.95Å; S872-N874 PolarHBondContact OG-N 2.78Å
875	S	22.9	Very low	21.7	Very low	80 Å²	80	123.4 Å²	123.4	56%	0.559	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-81.7	-16.6	175.8	-50.9	0	0	0	0	113	S872 A873 L877	S872-S875 PolarHBondContact O-N 2.89Å; S872-S875 VanDerWaalsContact O-N 3.15Å; S872-S875 PolarHBondContact OG-OG 2.95Å; A873-S875 PolarHBondContact O-N 3.31Å; S875-L877 PolarHBondContact O-N 3.03Å
876	C	22.3	Very low	21.6	Very low	104 Å²	104	119.5 Å²	119.5	70%	0.703	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-74.5	-13.7	175.1	-79.3	0	0	0	0	113.3	A873	A873-C876 PolarHBondContact O-N 3.36Å
877	L	20.8	Very low	21.6	Very low	134 Å²	134	111.8 Å²	111.8	70%	0.702	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-110.6	11.7	-176	-74.3	168.9	0	0	0	113.6	S875 E879	S875-L877 PolarHBondContact O-N 3.03Å; L877-E879 PolarHBondContact O-N 2.75Å
878	L	21.1	Very low	21.6	Very low	129 Å²	129	111.4 Å²	111.4	68%	0.675	63%	0.628	S	S	*	*			trans	-79.7	78.9	166.8	-69.3	173.1	0	0	0	108.6	M880	L878-M880 PolarHBondContact O-N 3.37Å
879	E	20.4	Very low	21.4	Very low	134 Å²	134	114.5 Å²	114.5	63%	0.626	63%	0.629	S	S	*	*			trans	-54.3	20	175.4	-122.4	173.8	172.3	0	0	115.2	L877 Q881	L877-E879 PolarHBondContact O-N 2.75Å; E879-Q881 VanDerWaalsContact C-N 3.29Å; E879-Q881 PolarHBondContact O-N 3.44Å
880	M	20.2	Very low	21.4	Very low	163 Å²	163	112.5 Å²	112.5	80%	0.803	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	3.7	-171.2	-71.8	-153.4	-45.7	0	0	115.4	L878	L878-M880 PolarHBondContact O-N 3.37Å
881	Q	20.6	Very low	21.5	Very low	124 Å²	124	111.7 Å²	111.7	58%	0.579	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	5.8	-175.5	-61.1	-171.9	-66.5	0	0	115	D851 E879 G883	D851-Q881 HydrophobicContact CB-CB 4.16Å; D851-Q881 HydrophobicContact CB-CG 4.36Å; D851-Q881 WeakPolarHBondContact OD2-CB 3.4Å; D851-Q881 PolarHBondContact OD2-OE1 2.63Å; E879-Q881 VanDerWaalsContact C-N 3.29Å; E879-Q881 PolarHBondContact O-N 3.44Å; Q881-G883 PolarHBondContact O-N 2.98Å
882	V	21.7	Very low	21.3	Very low	97 Å²	97	108.4 Å²	108.4	59%	0.588	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-15.9	175.5	-168.5	0	0	0	0	112.2
883	G	18.7	Very low	21.4	Very low	43 Å²	43	110.6 Å²	110.6	44%	0.443	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-16.7	-165.4	0	0	0	0	0	118.5	Q881	Q881-G883 PolarHBondContact O-N 2.98Å
884	E	19.5	Very low	21.5	Very low	175 Å²	175	114.5 Å²	114.5	82%	0.818	62%	0.623	S	S	*	*	S	Bend	trans	-102.4	-10.4	-168.4	-71.5	-164.1	153.6	0	0	116
885	S	20.7	Very low	21.8	Very low	50 Å²	50	108.7 Å²	108.7	35%	0.35	59%	0.594	S	S	.	*	S	Bend	trans	-90.1	-20	-173.2	168.5	0	0	0	0	114.8	Y837	Y837-S885 PolarHBondContact OH-OG 2.81Å
886	L	21.2	Very low	22.1	Very low	130 Å²	130	108.2 Å²	108.2	68%	0.681	59%	0.585	S	S	*	*	S	Bend	trans	-96.2	-11.8	-171.7	-71.6	170.7	0	0	0	114.3
887	S	21.3	Very low	22.3	Very low	89 Å²	89	104.5 Å²	104.5	62%	0.622	56%	0.557	S	S	*	*	S	Bend	trans	-112.8	-3.3	-176.1	58.2	0	0	0	0	114.7	R889	S887-R889 PolarHBondContact O-N 3.48Å
888	A	20.1	Very low	22.7	Very low	54 Å²	54	100.5 Å²	100.5	45%	0.446	53%	0.534	S	S	.	.			trans	-86	95.9	179.7	0	0	0	0	0	112.7	N890	A888-N890 PolarHBondContact O-N 3.48Å
889	R	19.3	Very low	23.3	Very low	228 Å²	228	97 Å²	97	86%	0.86	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33	127.4	147.4	-72	173.2	167.3	179.3	-3.9	110.4	S887	S887-R889 PolarHBondContact O-N 3.48Å
890	N	21.8	Very low	23.8	Very low	114 Å²	114	96.5 Å²	96.5	61%	0.61	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	27.3	164.8	-57	-28.2	0	0	0	120.8	A888 R894	A888-N890 PolarHBondContact O-N 3.48Å; N890-R894 PolarHBondContact O-NH2 3.4Å
891	C	22.7	Very low	24.8	Very low	107 Å²	107	91.7 Å²	91.7	72%	0.723	48%	0.484	S	S	*	.			trans	-104.7	32.4	176.1	-64.3	0	0	0	0	115.1
892	V	22.4	Very low	25.5	Very low	64 Å²	64	88.5 Å²	88.5	39%	0.388	49%	0.485	S	S	.	.	S	Bend	trans	-74.5	137.3	162.1	-158.6	0	0	0	0	107.4	R894 F914	V892-R894 PolarHBondContact O-N 3.48Å; V892-F914 HydrophobicContact CG1-CB 3.81Å; V892-F914 WeakPolarHBondContact CG1-O 3.32Å
893	P	26.4	Very low	26.5	Very low	93 Å²	93	92.3 Å²	92.3	60%	0.604	50%	0.496	S	S	*	.			trans	-47.4	138.7	179.2	13.3	-26.9	0	0	0	110.4	F914	P893-F914 HydrophobicContact CB-CD2 4.46Å; P893-F914 HydrophobicContact CG-CB 4.14Å; P893-F914 HydrophobicContact CG-CG 4.47Å; P893-F914 WeakPolarHBondContact O-CB 3.31Å; P893-F914 WeakPolarHBondContact O-CD2 3Å; P893-F914 PolarHBondContact O-N 3.39Å
894	R	24.7	Very low	27.1	Very low	158 Å²	158	92.4 Å²	92.4	60%	0.596	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	-174.5	-61.2	-173.9	-175.6	-173.8	5.2	108.9	N890 V892	N890-R894 PolarHBondContact O-NH2 3.4Å; V892-R894 PolarHBondContact O-N 3.48Å
895	A	28.6	Very low	27.5	Very low	12 Å²	12	90.2 Å²	90.2	10%	0.099	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.3	160	0	0	0	0	0	108.8	F897 I912 F914	A895-F897 HydrophobicContact CB-CE2 4Å; A895-F897 HydrophobicContact CB-CZ 4.41Å; A895-I912 PolarHBondContact N-O 2.99Å; A895-I912 PolarHBondContact O-N 2.89Å; A895-I912 VanDerWaalsContact O-N 3.16Å; A895-F914 HydrophobicContact CB-CD2 4.29Å; A895-F914 HydrophobicContact CB-CE2 3.55Å; A895-F914 HydrophobicContact CB-CZ 4.32Å
896	I	29.3	Very low	28	Very low	70 Å²	70	92.1 Å²	92.1	36%	0.359	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.9	175.8	-58.2	178.2	0	0	0	107.9	F898 L908	I896-F898 HydrophobicContact CB-CE2 4.16Å; I896-F898 HydrophobicContact CG2-CD2 4.19Å; I896-F898 HydrophobicContact CG2-CE2 3.51Å; I896-F898 HydrophobicContact CG2-CZ 3.74Å; I896-L908 HydrophobicContact CG2-CD1 3.2Å
897	F	26.9	Very low	28.4	Very low	26 Å²	26	89.9 Å²	89.9	11%	0.114	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.6	177.7	-65.6	-92.2	0	0	0	110.5	A895 K909 E910 I912 V950	A895-F897 HydrophobicContact CB-CE2 4Å; A895-F897 HydrophobicContact CB-CZ 4.41Å; F897-K909 PolarHBondContact O-N 2.96Å; F897-E910 PolarHBondContact N-O 3.32Å; F897-E910 VanDerWaalsContact N-O 3.1Å; F897-I912 HydrophobicContact CD2-CB 4.38Å; F897-I912 HydrophobicContact CD2-CD1 3.89Å; F897-I912 HydrophobicContact CD2-CG1 3.95Å; F897-I912 HydrophobicContact CE2-CB 3.98Å; F897-I912 HydrophobicContact CE2-CD1 3.7Å; F897-I912 HydrophobicContact CE2-CG1 3.92Å; F897-I912 HydrophobicContact CZ-CD1 4.47Å; F897-V950 HydrophobicContact CD1-CG2 4.33Å; F897-V950 HydrophobicContact CE1-CG1 4.47Å; F897-V950 HydrophobicContact CE1-CG2 3.99Å
898	F	29.2	Very low	28.7	Very low	50 Å²	50	91.2 Å²	91.2	22%	0.219	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.7	173.8	-63	-96.2	0	0	0	109.6	I896 W906 L907 L908 G949 V951	I896-F898 HydrophobicContact CB-CE2 4.16Å; I896-F898 HydrophobicContact CG2-CD2 4.19Å; I896-F898 HydrophobicContact CG2-CE2 3.51Å; I896-F898 HydrophobicContact CG2-CZ 3.74Å; F898-W906 HydrophobicContact CB-CB 4.29Å; F898-W906 HydrophobicContact CB-CD2 4.4Å; F898-W906 HydrophobicContact CB-CE3 3.65Å; F898-W906 HydrophobicContact CB-CZ3 4.38Å; F898-W906 HydrophobicContact CD1-CB 4.4Å; F898-L907 WeakPolarHBondContact CA-O 3.4Å; F898-L908 HydrophobicContact CD1-CD1 4.45Å; F898-L908 HydrophobicContact CE1-CB 4.37Å; F898-L908 HydrophobicContact CE1-CD1 3.9Å; F898-L908 HydrophobicContact CZ-CD1 4.05Å; F898-G949 PolarHBondContact N-O 2.87Å; F898-G949 PolarHBondContact O-N 3.43Å; F898-V951 HydrophobicContact CD2-CB 4.36Å; F898-V951 HydrophobicContact CD2-CG2 3.5Å; F898-V951 VanDerWaalsContact CD2-CG2 3.5Å; F898-V951 HydrophobicContact CE2-CB 4.12Å; F898-V951 HydrophobicContact CE2-CG2 3.52Å
899	H	32.6	Very low	29.2	Very low	57 Å²	57	94.8 Å²	94.8	26%	0.264	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.9	168.1	108.3	-10.6	0	0	0	109.8	D901 W906 L907 K909	H899-D901 WeakPolarHBondContact CE1-CB 3.41Å; H899-W906 CarbonylContact O-C 3.52Å; H899-W906 WeakPolarHBondContact O-CA 3.43Å; H899-L907 PolarHBondContact N-O 3.18Å; H899-L907 PolarHBondContact O-N 3.34Å; H899-K909 HydrophobicContact CB-CD 4.27Å
900	Y	30.8	Very low	29.6	Very low	123 Å²	123	90 Å²	90	48%	0.482	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.3	171	-165.3	-109.3	0	0	0	109	G902 W906	Y900-G902 VanDerWaalsContact C-N 3.27Å; Y900-G902 PolarHBondContact O-N 3.45Å; Y900-W906 AromaticContact CD2-CD2 3.83Å; Y900-W906 HydrophobicContact CD2-CD2 3.83Å; Y900-W906 AromaticContact CD2-CE2 3.49Å; Y900-W906 VanDerWaalsContact CD2-CE2 3.49Å; Y900-W906 HydrophobicContact CD2-CE3 4.41Å; Y900-W906 HydrophobicContact CD2-CG 4.17Å; Y900-W906 HydrophobicContact CD2-CH2 4.43Å; Y900-W906 AromaticContact CD2-CZ2 3.82Å; Y900-W906 HydrophobicContact CD2-CZ2 3.82Å; Y900-W906 AromaticContact CD2-NE1 3.61Å; Y900-W906 AromaticContact CE2-NE1 3.91Å; Y900-W906 HydrophobicContact CG-CZ2 4.3Å
901	D	41.9	Very low	29.9	Very low	61 Å²	61	87.3 Å²	87.3	33%	0.326	46%	0.462	S	S	.	.			trans	-84.4	-1.6	-173.8	83.4	-14.9	0	0	0	114.2	H899 Q903 E905 L907	H899-D901 WeakPolarHBondContact CE1-CB 3.41Å; D901-Q903 VanDerWaalsContact C-N 3.29Å; D901-Q903 PolarHBondContact O-N 3.23Å; D901-Q903 WeakPolarHBondContact OD1-CA 3.13Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.38Å; D901-Q903 PolarHBondContact OD1-N 3.22Å; D901-E905 PolarHBondContact N-O 3.09Å; D901-L907 HydrophobicContact CB-CD1 4.04Å
902	G	35.1	Very low	30.1	Very low	58 Å²	58	84.8 Å²	84.8	60%	0.598	44%	0.44	S	S	*	.	S	Bend	trans	81.8	-4.4	-179.1	0	0	0	0	0	114.9	Y900	Y900-G902 VanDerWaalsContact C-N 3.27Å; Y900-G902 PolarHBondContact O-N 3.45Å
903	Q	42.7	Very low	30.4	Very low	176 Å²	176	84.1 Å²	84.1	82%	0.822	44%	0.442	S	S	*	.	S	Bend	trans	-101.7	6.3	174.9	-60.9	-164	1.6	0	0	113.6	D901	D901-Q903 VanDerWaalsContact C-N 3.29Å; D901-Q903 PolarHBondContact O-N 3.23Å; D901-Q903 WeakPolarHBondContact OD1-CA 3.13Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.38Å; D901-Q903 PolarHBondContact OD1-N 3.22Å
904	G	31.5	Very low	30.4	Very low	46 Å²	46	82.6 Å²	82.6	47%	0.474	43%	0.426	S	S	.	.	S	Bend	trans	99.6	1.1	179.1	0	0	0	0	0	114.5
905	E	28	Very low	30.4	Very low	129 Å²	129	76.5 Å²	76.5	60%	0.603	41%	0.411	S	S	*	.			trans	-109	139.4	180	-71.5	-100.5	146.3	0	0	111.4	D901	D901-E905 PolarHBondContact N-O 3.09Å
906	W	30.5	Very low	30.3	Very low	90 Å²	90	77.5 Å²	77.5	34%	0.341	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.4	171.1	-76	96.9	0	0	0	109.1	F898 H899 Y900 Y992	F898-W906 HydrophobicContact CB-CB 4.29Å; F898-W906 HydrophobicContact CB-CD2 4.4Å; F898-W906 HydrophobicContact CB-CE3 3.65Å; F898-W906 HydrophobicContact CB-CZ3 4.38Å; F898-W906 HydrophobicContact CD1-CB 4.4Å; H899-W906 CarbonylContact O-C 3.52Å; H899-W906 WeakPolarHBondContact O-CA 3.43Å; Y900-W906 AromaticContact CD2-CD2 3.83Å; Y900-W906 HydrophobicContact CD2-CD2 3.83Å; Y900-W906 AromaticContact CD2-CE2 3.49Å; Y900-W906 VanDerWaalsContact CD2-CE2 3.49Å; Y900-W906 HydrophobicContact CD2-CE3 4.41Å; Y900-W906 HydrophobicContact CD2-CG 4.17Å; Y900-W906 HydrophobicContact CD2-CH2 4.43Å; Y900-W906 AromaticContact CD2-CZ2 3.82Å; Y900-W906 HydrophobicContact CD2-CZ2 3.82Å; Y900-W906 AromaticContact CD2-NE1 3.61Å; Y900-W906 AromaticContact CE2-NE1 3.91Å; Y900-W906 HydrophobicContact CG-CZ2 4.3Å; W906-Y992 HydrophobicContact CZ2-CE2 4.45Å
907	L	30	Very low	30.1	Very low	82 Å²	82	77.8 Å²	77.8	43%	0.429	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.7	179.1	-65	174	0	0	0	110.4	F898 H899 D901 K909	F898-L907 WeakPolarHBondContact CA-O 3.4Å; H899-L907 PolarHBondContact N-O 3.18Å; H899-L907 PolarHBondContact O-N 3.34Å; D901-L907 HydrophobicContact CB-CD1 4.04Å; L907-K909 PolarHBondContact O-N 3.2Å
908	L	28.7	Very low	30.3	Very low	118 Å²	118	79.6 Å²	79.6	62%	0.618	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	118.2	172.2	-173.5	83.4	0	0	0	109	I896 F898	I896-L908 HydrophobicContact CG2-CD1 3.2Å; F898-L908 HydrophobicContact CD1-CD1 4.45Å; F898-L908 HydrophobicContact CE1-CB 4.37Å; F898-L908 HydrophobicContact CE1-CD1 3.9Å; F898-L908 HydrophobicContact CZ-CD1 4.05Å
909	K	30.4	Very low	30.6	Very low	129 Å²	129	81.6 Å²	81.6	56%	0.561	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	-47.1	-180	-154.5	179.7	-176.8	-178.2	0	112.4	F897 H899 L907 F948	F897-K909 PolarHBondContact O-N 2.96Å; H899-K909 HydrophobicContact CB-CD 4.27Å; L907-K909 PolarHBondContact O-N 3.2Å; K909-F948 HydrophobicContact CD-CD1 4.48Å; K909-F948 HydrophobicContact CD-CE1 4.16Å
910	E	27.5	Very low	30.5	Very low	127 Å²	127	80.6 Å²	80.6	59%	0.593	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.4	140.4	-178.2	-151.9	169.3	-175	0	0	111.7	F897 I912	F897-E910 PolarHBondContact N-O 3.32Å; F897-E910 VanDerWaalsContact N-O 3.1Å; E910-I912 HydrophobicContact CB-CG1 4.45Å; E910-I912 HydrophobicContact CG-CG1 4.31Å
911	A	27.6	Very low	30.6	Very low	58 Å²	58	77.6 Å²	77.6	48%	0.479	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.1	167.7	0	0	0	0	0	108.1
912	I	27.2	Very low	30.4	Very low	54 Å²	54	75.5 Å²	75.5	28%	0.277	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.3	-178	-53.2	179.9	0	0	0	108	A895 F897 E910	A895-I912 PolarHBondContact N-O 2.99Å; A895-I912 PolarHBondContact O-N 2.89Å; A895-I912 VanDerWaalsContact O-N 3.16Å; F897-I912 HydrophobicContact CD2-CB 4.38Å; F897-I912 HydrophobicContact CD2-CD1 3.89Å; F897-I912 HydrophobicContact CD2-CG1 3.95Å; F897-I912 HydrophobicContact CE2-CB 3.98Å; F897-I912 HydrophobicContact CE2-CD1 3.7Å; F897-I912 HydrophobicContact CE2-CG1 3.92Å; F897-I912 HydrophobicContact CZ-CD1 4.47Å; E910-I912 HydrophobicContact CB-CG1 4.45Å; E910-I912 HydrophobicContact CG-CG1 4.31Å
913	A	28	Very low	30.5	Very low	50 Å²	50	74.6 Å²	74.6	41%	0.413	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.1	173.2	0	0	0	0	0	109.7	G915	A913-G915 PolarHBondContact O-N 3.28Å
914	F	27.4	Very low	29.9	Very low	61 Å²	61	67 Å²	67	27%	0.268	37%	0.367	S	S	.	.			trans	-68.9	51.6	178	-90.1	-103.2	0	0	0	113.2	V892 P893 A895 P958	V892-F914 HydrophobicContact CG1-CB 3.81Å; V892-F914 WeakPolarHBondContact CG1-O 3.32Å; P893-F914 HydrophobicContact CB-CD2 4.46Å; P893-F914 HydrophobicContact CG-CB 4.14Å; P893-F914 HydrophobicContact CG-CG 4.47Å; P893-F914 WeakPolarHBondContact O-CB 3.31Å; P893-F914 WeakPolarHBondContact O-CD2 3Å; P893-F914 PolarHBondContact O-N 3.39Å; A895-F914 HydrophobicContact CB-CD2 4.29Å; A895-F914 HydrophobicContact CB-CE2 3.55Å; A895-F914 HydrophobicContact CB-CZ 4.32Å; F914-P958 HydrophobicContact CZ-CG 4.36Å
915	G	25.3	Very low	30	Very low	29 Å²	29	65.9 Å²	65.9	30%	0.299	36%	0.355	S	S	.	.			trans	-66.2	150.8	170.6	0	0	0	0	0	111.3	A913 P917 W918	A913-G915 PolarHBondContact O-N 3.28Å; G915-P917 VanDerWaalsContact C-N 3.26Å; G915-P917 WeakPolarHBondContact O-CD 3.1Å; G915-W918 PolarHBondContact O-N 2.89Å
916	G	24.7	Very low	30.4	Very low	34 Å²	34	61 Å²	61	35%	0.351	33%	0.332	S	S	.	.	H	α-helix	trans	-29.6	-40	-178.8	0	0	0	0	0	118.8	W918 Q919 L920	G916-W918 PolarHBondContact O-N 3.3Å; G916-Q919 PolarHBondContact O-N 2.94Å; G916-L920 PolarHBondContact O-N 3.16Å
917	P	26.8	Very low	30.6	Very low	75 Å²	75	59 Å²	59	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-54.1	-32.4	172.6	12.2	-27.3	0	0	0	115.3	G915 F921	G915-P917 VanDerWaalsContact C-N 3.26Å; G915-P917 WeakPolarHBondContact O-CD 3.1Å; P917-F921 PolarHBondContact O-N 2.92Å
918	W	30.8	Very low	30.7	Very low	65 Å²	65	56.5 Å²	56.5	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-88.4	-23.3	177.3	-92.5	98.9	0	0	0	114.5	G915 G916 L920 F921 D922 I945	G915-W918 PolarHBondContact O-N 2.89Å; G916-W918 PolarHBondContact O-N 3.3Å; W918-L920 VanDerWaalsContact C-N 3.27Å; W918-F921 HydrophobicContact CD2-CB 3.99Å; W918-F921 HydrophobicContact CD2-CG 4.36Å; W918-F921 HydrophobicContact CE3-CB 3.62Å; W918-F921 AromaticContact CE3-CD1 3.76Å; W918-F921 HydrophobicContact CE3-CD1 3.76Å; W918-F921 AromaticContact CE3-CG 3.9Å; W918-F921 HydrophobicContact CE3-CG 3.9Å; W918-F921 HydrophobicContact CG-CB 4.45Å; W918-F921 AromaticContact CH2-CD1 3.71Å; W918-F921 HydrophobicContact CH2-CD1 3.71Å; W918-F921 AromaticContact CH2-CE1 3.88Å; W918-F921 HydrophobicContact CH2-CE1 3.88Å; W918-F921 HydrophobicContact CH2-CG 4.27Å; W918-F921 HydrophobicContact CZ3-CB 4.09Å; W918-F921 AromaticContact CZ3-CD1 3.27Å; W918-F921 HydrophobicContact CZ3-CD1 3.27Å; W918-F921 AromaticContact CZ3-CE1 3.87Å; W918-F921 HydrophobicContact CZ3-CE1 3.87Å; W918-F921 AromaticContact CZ3-CG 3.86Å; W918-F921 HydrophobicContact CZ3-CG 3.86Å; W918-F921 CarbonylContact O-C 3.44Å; W918-F921 PolarHBondContact O-N 3.14Å; W918-F921 VanDerWaalsContact O-N 3.17Å; W918-D922 WeakPolarHBondContact O-CB 3.24Å; W918-D922 PolarHBondContact O-N 3.44Å; W918-I945 HydrophobicContact CH2-CG2 4.44Å
919	Q	35.3	Very low	31	Very low	92 Å²	92	51.7 Å²	51.7	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-39.4	165.5	-80.2	175.3	-44.1	0	0	110.3	G916 F921 H923	G916-Q919 PolarHBondContact O-N 2.94Å; Q919-F921 VanDerWaalsContact C-N 3.35Å; Q919-H923 WeakPolarHBondContact O-CB 3.49Å; Q919-H923 PolarHBondContact O-N 3.23Å; Q919-H923 VanDerWaalsContact O-N 3.07Å
920	L	31.3	Very low	31.2	Very low	36 Å²	36	54 Å²	54	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-42.2	167.9	-105.3	105.4	0	0	0	111.5	L818 V829 G916 W918 H923 C924	L818-L920 HydrophobicContact CD2-CD2 3.19Å; L818-L920 HydrophobicContact CG-CD2 4.36Å; V829-L920 HydrophobicContact CG1-CD1 4.38Å; V829-L920 HydrophobicContact CG1-CD2 4.36Å; V829-L920 HydrophobicContact CG2-CD2 4.36Å; G916-L920 PolarHBondContact O-N 3.16Å; W918-L920 VanDerWaalsContact C-N 3.27Å; L920-H923 PolarHBondContact O-N 3.11Å; L920-C924 VanDerWaalsContact O-CB 3.25Å; L920-C924 WeakPolarHBondContact O-CB 3.35Å; L920-C924 PolarHBondContact O-N 3.37Å; L920-C924 PolarHBondContact O-SG 3.09Å
921	F	32.4	Very low	31.5	Very low	59 Å²	59	50.6 Å²	50.6	26%	0.259	30%	0.301	S	S	.	.	H	α-helix	trans	-69.2	-39.6	-179.8	-152	-84	0	0	0	113.6	P917 W918 Q919 H923 G925 H941	P917-F921 PolarHBondContact O-N 2.92Å; W918-F921 HydrophobicContact CD2-CB 3.99Å; W918-F921 HydrophobicContact CD2-CG 4.36Å; W918-F921 HydrophobicContact CE3-CB 3.62Å; W918-F921 AromaticContact CE3-CD1 3.76Å; W918-F921 HydrophobicContact CE3-CD1 3.76Å; W918-F921 AromaticContact CE3-CG 3.9Å; W918-F921 HydrophobicContact CE3-CG 3.9Å; W918-F921 HydrophobicContact CG-CB 4.45Å; W918-F921 AromaticContact CH2-CD1 3.71Å; W918-F921 HydrophobicContact CH2-CD1 3.71Å; W918-F921 AromaticContact CH2-CE1 3.88Å; W918-F921 HydrophobicContact CH2-CE1 3.88Å; W918-F921 HydrophobicContact CH2-CG 4.27Å; W918-F921 HydrophobicContact CZ3-CB 4.09Å; W918-F921 AromaticContact CZ3-CD1 3.27Å; W918-F921 HydrophobicContact CZ3-CD1 3.27Å; W918-F921 AromaticContact CZ3-CE1 3.87Å; W918-F921 HydrophobicContact CZ3-CE1 3.87Å; W918-F921 AromaticContact CZ3-CG 3.86Å; W918-F921 HydrophobicContact CZ3-CG 3.86Å; W918-F921 CarbonylContact O-C 3.44Å; W918-F921 PolarHBondContact O-N 3.14Å; W918-F921 VanDerWaalsContact O-N 3.17Å; Q919-F921 VanDerWaalsContact C-N 3.35Å; F921-H923 VanDerWaalsContact C-N 3.28Å; F921-H923 PolarHBondContact O-N 3.01Å; F921-G925 WeakPolarHBondContact O-CA 3.39Å; F921-G925 PolarHBondContact O-N 3.38Å; F921-H941 HydrophobicContact CE1-CB 4.3Å; F921-H941 HydrophobicContact CZ-CB 3.88Å; F921-H941 AromaticContact CZ-CG 3.95Å; F921-H941 AromaticContact CZ-ND1 3.77Å
922	D	37.2	Very low	31.6	Very low	18 Å²	18	49.3 Å²	49.3	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-41.9	171.8	-179.4	56.7	0	0	0	110.3	W918 F926 P958 R959 F960	W918-D922 WeakPolarHBondContact O-CB 3.24Å; W918-D922 PolarHBondContact O-N 3.44Å; D922-F926 WeakPolarHBondContact O-CB 3.38Å; D922-F926 PolarHBondContact O-N 3Å; D922-P958 WeakPolarHBondContact OD1-CB 3.37Å; D922-R959 WeakPolarHBondContact OD1-CA 3.45Å; D922-R959 PolarHBondContact OD1-N 3.08Å; D922-R959 WeakPolarHBondContact OD2-CB 3.43Å; D922-R959 IonicContact OD2-CZ 2.84Å; D922-R959 IonicContact OD2-NE 3.55Å; D922-R959 PolarHBondContact OD2-NE 2.87Å; D922-R959 IonicContact OD2-NH2 3.68Å; D922-F960 WeakPolarHBondContact OD1-CD1 3.46Å; D922-F960 PolarHBondContact OD1-N 3.47Å
923	H	36.4	Very low	31.7	Very low	38 Å²	38	57 Å²	57	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-73.2	-44.6	178.9	-159	44.6	0	0	0	113	S828 Q919 L920 F921 F926 S927 R959	S828-H923 PolarHBondContact O-CD2 3.47Å; S828-H923 VanDerWaalsContact O-CD2 3.25Å; Q919-H923 WeakPolarHBondContact O-CB 3.49Å; Q919-H923 PolarHBondContact O-N 3.23Å; Q919-H923 VanDerWaalsContact O-N 3.07Å; L920-H923 PolarHBondContact O-N 3.11Å; F921-H923 VanDerWaalsContact C-N 3.28Å; F921-H923 PolarHBondContact O-N 3.01Å; H923-F926 PolarHBondContact O-N 3.48Å; H923-S927 WeakPolarHBondContact O-CB 3.31Å; H923-S927 PolarHBondContact O-N 2.86Å; H923-S927 PolarHBondContact O-OG 3.37Å; H923-R959 PolarHBondContact ND1-NH2 3.39Å
924	C	30.9	Very low	32.1	Very low	17 Å²	17	59.5 Å²	59.5	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-42.7	177.1	-64	0	0	0	0	110.5	L920 S927 L928	L920-C924 VanDerWaalsContact O-CB 3.25Å; L920-C924 WeakPolarHBondContact O-CB 3.35Å; L920-C924 PolarHBondContact O-N 3.37Å; L920-C924 PolarHBondContact O-SG 3.09Å; C924-S927 PolarHBondContact O-N 3.31Å; C924-L928 WeakPolarHBondContact O-CB 3.27Å; C924-L928 WeakPolarHBondContact O-CD1 3.36Å; C924-L928 WeakPolarHBondContact O-CG 3.11Å; C924-L928 PolarHBondContact O-N 2.93Å
925	G	34.2	Very low	32.2	Very low	22 Å²	22	61.6 Å²	61.6	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-41.5	175.6	0	0	0	0	0	112.5	F921 A929	F921-G925 WeakPolarHBondContact O-CA 3.39Å; F921-G925 PolarHBondContact O-N 3.38Å; G925-A929 VanDerWaalsContact O-CB 3.27Å; G925-A929 WeakPolarHBondContact O-CB 3.49Å; G925-A929 PolarHBondContact O-N 2.93Å
926	F	35.9	Very low	32.5	Very low	27 Å²	27	62.9 Å²	62.9	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-48.9	173.4	-178.1	-102.2	0	0	0	112.4	D922 H923 A929 W930 R959 V963	D922-F926 WeakPolarHBondContact O-CB 3.38Å; D922-F926 PolarHBondContact O-N 3Å; H923-F926 PolarHBondContact O-N 3.48Å; F926-A929 PolarHBondContact O-N 3.05Å; F926-W930 HydrophobicContact CD1-CE3 4.3Å; F926-W930 AromaticContact CE1-CE3 3.47Å; F926-W930 HydrophobicContact CE1-CE3 3.47Å; F926-W930 VanDerWaalsContact CE1-CE3 3.47Å; F926-W930 AromaticContact CE1-CZ3 3.55Å; F926-W930 HydrophobicContact CE1-CZ3 3.55Å; F926-W930 HydrophobicContact CE2-CE3 4.2Å; F926-W930 HydrophobicContact CE2-CZ3 4.18Å; F926-W930 AromaticContact CZ-CE3 3.43Å; F926-W930 HydrophobicContact CZ-CE3 3.43Å; F926-W930 VanDerWaalsContact CZ-CE3 3.43Å; F926-W930 HydrophobicContact CZ-CH2 4.35Å; F926-W930 AromaticContact CZ-CZ3 3.22Å; F926-W930 HydrophobicContact CZ-CZ3 3.22Å; F926-W930 PolarHBondContact O-N 3.4Å; F926-R959 HydrophobicContact CB-CB 4.41Å; F926-R959 HydrophobicContact CD2-CB 3.83Å; F926-R959 HydrophobicContact CE2-CB 4.28Å; F926-R959 HydrophobicContact CG-CB 4.22Å; F926-V963 HydrophobicContact CD2-CG2 3.34Å; F926-V963 HydrophobicContact CE2-CG2 3.44Å; F926-V963 VanDerWaalsContact CE2-CG2 3.44Å; F926-V963 HydrophobicContact CG-CG2 4.49Å
927	S	34.8	Very low	32.8	Very low	48 Å²	48	65.1 Å²	65.1	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-70.2	-34.4	-179.1	-71.8	0	0	0	0	113	H923 C924 W930 G931	H923-S927 WeakPolarHBondContact O-CB 3.31Å; H923-S927 PolarHBondContact O-N 2.86Å; H923-S927 PolarHBondContact O-OG 3.37Å; C924-S927 PolarHBondContact O-N 3.31Å; S927-W930 PolarHBondContact O-N 2.96Å; S927-G931 PolarHBondContact O-N 3.41Å
928	L	32.6	Very low	33	Very low	29 Å²	29	63.2 Å²	63.2	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-40.1	170.9	-87.2	152.5	0	0	0	111.2	C924 W930 C932	C924-L928 WeakPolarHBondContact O-CB 3.27Å; C924-L928 WeakPolarHBondContact O-CD1 3.36Å; C924-L928 WeakPolarHBondContact O-CG 3.11Å; C924-L928 PolarHBondContact O-N 2.93Å; L928-W930 PolarHBondContact O-N 3.47Å; L928-C932 WeakPolarHBondContact O-CB 3.24Å; L928-C932 PolarHBondContact O-N 3.28Å
929	A	35.6	Very low	33.3	Very low	18 Å²	18	62.6 Å²	62.6	15%	0.149	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-30.5	175	0	0	0	0	0	112.5	G925 F926 V963	G925-A929 VanDerWaalsContact O-CB 3.27Å; G925-A929 WeakPolarHBondContact O-CB 3.49Å; G925-A929 PolarHBondContact O-N 2.93Å; F926-A929 PolarHBondContact O-N 3.05Å; A929-V963 HydrophobicContact CB-CB 4.15Å; A929-V963 HydrophobicContact CB-CG1 3.87Å
930	W	33.9	Very low	33.3	Very low	176 Å²	176	61.2 Å²	61.2	67%	0.667	37%	0.365	S	S	*	.	H	α-helix	trans	-89.5	-44.9	-179.7	-136.3	-29.3	0	0	0	113.9	F926 S927 L928	F926-W930 HydrophobicContact CD1-CE3 4.3Å; F926-W930 AromaticContact CE1-CE3 3.47Å; F926-W930 HydrophobicContact CE1-CE3 3.47Å; F926-W930 VanDerWaalsContact CE1-CE3 3.47Å; F926-W930 AromaticContact CE1-CZ3 3.55Å; F926-W930 HydrophobicContact CE1-CZ3 3.55Å; F926-W930 HydrophobicContact CE2-CE3 4.2Å; F926-W930 HydrophobicContact CE2-CZ3 4.18Å; F926-W930 AromaticContact CZ-CE3 3.43Å; F926-W930 HydrophobicContact CZ-CE3 3.43Å; F926-W930 VanDerWaalsContact CZ-CE3 3.43Å; F926-W930 HydrophobicContact CZ-CH2 4.35Å; F926-W930 AromaticContact CZ-CZ3 3.22Å; F926-W930 HydrophobicContact CZ-CZ3 3.22Å; F926-W930 PolarHBondContact O-N 3.4Å; S927-W930 PolarHBondContact O-N 2.96Å; L928-W930 PolarHBondContact O-N 3.47Å
931	G	32.4	Very low	33.7	Very low	57 Å²	57	62.7 Å²	62.7	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-77.3	-29.4	-174.2	0	0	0	0	0	114.4	S927	S927-G931 PolarHBondContact O-N 3.41Å
932	C	29.7	Very low	34	Very low	31 Å²	31	60.7 Å²	60.7	21%	0.209	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	30.9	-170.4	-72.7	0	0	0	0	114.5	L928 S934 T935 G936	L928-C932 WeakPolarHBondContact O-CB 3.24Å; L928-C932 PolarHBondContact O-N 3.28Å; C932-S934 PolarHBondContact O-N 2.91Å; C932-S934 VanDerWaalsContact O-N 3.08Å; C932-T935 WeakPolarHBondContact CB-O 3.44Å; C932-T935 PolarHBondContact SG-O 3.32Å; C932-G936 WeakPolarHBondContact CB-O 3.15Å
933	R	31	Very low	34.1	Very low	215 Å²	215	65.1 Å²	65.1	81%	0.811	38%	0.382	S	S	*	.	S	Bend	trans	-59.4	-16.6	167.3	-81.5	-165.3	-175.1	-157.1	1.9	113.3
934	S	34.9	Very low	34.2	Very low	102 Å²	102	70.1 Å²	70.1	71%	0.713	41%	0.408	S	S	*	.	S	Bend	trans	-109.1	-24.1	178.5	59.1	0	0	0	0	115.4	C932	C932-S934 PolarHBondContact O-N 2.91Å; C932-S934 VanDerWaalsContact O-N 3.08Å
935	T	31.1	Very low	34.4	Very low	105 Å²	105	70.2 Å²	70.2	64%	0.644	41%	0.407	S	S	*	.	S	Bend	trans	-151.1	107	-172.2	49.4	0	0	0	0	112.6	C932	C932-T935 WeakPolarHBondContact CB-O 3.44Å; C932-T935 PolarHBondContact SG-O 3.32Å
936	G	30.5	Very low	34.6	Very low	56 Å²	56	73.9 Å²	73.9	58%	0.577	41%	0.414	S	S	*	.	S	Bend	trans	94.9	98.7	171.7	0	0	0	0	0	113.7	C932	C932-G936 WeakPolarHBondContact CB-O 3.15Å
937	S	31.8	Very low	34.5	Very low	81 Å²	81	76.6 Å²	76.6	57%	0.566	43%	0.434	S	S	*	.			trans	-63.5	123.9	-170.2	-172.6	0	0	0	0	112.5	T939	S937-T939 VanDerWaalsContact CB-OG1 3.27Å; S937-T939 WeakPolarHBondContact CB-OG1 3.27Å; S937-T939 PolarHBondContact O-N 3.35Å; S937-T939 WeakPolarHBondContact OG-CB 3.38Å; S937-T939 PolarHBondContact OG-N 2.91Å; S937-T939 PolarHBondContact OG-OG1 2.92Å
938	P	30.9	Very low	34.4	Very low	36 Å²	36	77.5 Å²	77.5	23%	0.234	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-3.7	171.2	23.7	-32.7	0	0	0	113.4	A940 I942	P938-A940 VanDerWaalsContact C-N 3.34Å; P938-A940 PolarHBondContact O-N 2.79Å; P938-I942 HydrophobicContact CB-CD1 4.24Å; P938-I942 WeakPolarHBondContact O-CG1 3.23Å; P938-I942 PolarHBondContact O-N 3.29Å
939	T	35.9	Very low	34.4	Very low	52 Å²	52	76.3 Å²	76.3	32%	0.319	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-25.1	-173.7	72.3	0	0	0	0	114	S937 I942 E943	S937-T939 VanDerWaalsContact CB-OG1 3.27Å; S937-T939 WeakPolarHBondContact CB-OG1 3.27Å; S937-T939 PolarHBondContact O-N 3.35Å; S937-T939 WeakPolarHBondContact OG-CB 3.38Å; S937-T939 PolarHBondContact OG-N 2.91Å; S937-T939 PolarHBondContact OG-OG1 2.92Å; T939-I942 PolarHBondContact O-N 3.25Å; T939-E943 HydrophobicContact CG2-CG 3.93Å; T939-E943 WeakPolarHBondContact O-CA 3.41Å; T939-E943 WeakPolarHBondContact O-CB 3.29Å; T939-E943 VanDerWaalsContact O-CG 3.26Å; T939-E943 WeakPolarHBondContact O-CG 3.11Å; T939-E943 PolarHBondContact O-N 3.33Å
940	A	36.3	Very low	34.5	Very low	62 Å²	62	75.7 Å²	75.7	51%	0.512	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-45.2	179.7	0	0	0	0	0	113.2	P938 M944	P938-A940 VanDerWaalsContact C-N 3.34Å; P938-A940 PolarHBondContact O-N 2.79Å; A940-M944 PolarHBondContact O-N 2.75Å
941	H	38.8	Very low	34.6	Very low	67 Å²	67	68.6 Å²	68.6	31%	0.31	40%	0.398	S	S	.	.	H	α-helix	trans	-70.9	-37.5	177	-67.3	-60.9	0	0	0	111.3	F921 M944 I945	F921-H941 HydrophobicContact CE1-CB 4.3Å; F921-H941 HydrophobicContact CZ-CB 3.88Å; F921-H941 AromaticContact CZ-CG 3.95Å; F921-H941 AromaticContact CZ-ND1 3.77Å; H941-M944 WeakPolarHBondContact O-CB 3.29Å; H941-M944 PolarHBondContact O-N 3.18Å; H941-I945 WeakPolarHBondContact O-CG1 3.4Å; H941-I945 PolarHBondContact O-N 2.76Å
942	I	39.3	Very low	34.8	Very low	17 Å²	17	66.7 Å²	66.7	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-72.4	-38.4	179.6	-62	176.2	0	0	0	111.3	P938 T939 M944 I945 R946 D964 V967	P938-I942 HydrophobicContact CB-CD1 4.24Å; P938-I942 WeakPolarHBondContact O-CG1 3.23Å; P938-I942 PolarHBondContact O-N 3.29Å; T939-I942 PolarHBondContact O-N 3.25Å; I942-M944 VanDerWaalsContact C-N 3.26Å; I942-M944 PolarHBondContact O-N 2.91Å; I942-I945 PolarHBondContact O-N 2.87Å; I942-R946 WeakPolarHBondContact O-CB 3.48Å; I942-R946 PolarHBondContact O-N 3.41Å; I942-D964 HydrophobicContact CD1-CB 3.9Å; I942-D964 WeakPolarHBondContact CD1-OD2 3.23Å; I942-V967 HydrophobicContact CG2-CG2 3.82Å
943	E	40.3	Very low	35.1	Very low	111 Å²	111	71 Å²	71	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-28.8	172.2	-82	-172.7	171.3	0	0	112.5	T939 I945 P947	T939-E943 HydrophobicContact CG2-CG 3.93Å; T939-E943 WeakPolarHBondContact O-CA 3.41Å; T939-E943 WeakPolarHBondContact O-CB 3.29Å; T939-E943 VanDerWaalsContact O-CG 3.26Å; T939-E943 WeakPolarHBondContact O-CG 3.11Å; T939-E943 PolarHBondContact O-N 3.33Å; E943-I945 VanDerWaalsContact C-N 3.35Å; E943-P947 WeakPolarHBondContact O-CD 3.47Å
944	M	37.3	Very low	35	Very low	144 Å²	144	64 Å²	64	71%	0.709	37%	0.373	S	S	*	.	H	α-helix	trans	-65.9	-36.6	172.8	-88.5	-172.1	167.9	0	0	112.4	A940 H941 I942 F948	A940-M944 PolarHBondContact O-N 2.75Å; H941-M944 WeakPolarHBondContact O-CB 3.29Å; H941-M944 PolarHBondContact O-N 3.18Å; I942-M944 VanDerWaalsContact C-N 3.26Å; I942-M944 PolarHBondContact O-N 2.91Å; M944-F948 VanDerWaalsContact O-CD2 3.24Å; M944-F948 WeakPolarHBondContact O-CD2 3.18Å; M944-F948 WeakPolarHBondContact O-CE2 3.42Å
945	I	35.7	Very low	34.7	Very low	19 Å²	19	65.4 Å²	65.4	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-91.5	-25	179.1	22.9	166.6	0	0	0	113.7	W918 H941 I942 E943 P947 F948 F960	W918-I945 HydrophobicContact CH2-CG2 4.44Å; H941-I945 WeakPolarHBondContact O-CG1 3.4Å; H941-I945 PolarHBondContact O-N 2.76Å; I942-I945 PolarHBondContact O-N 2.87Å; E943-I945 VanDerWaalsContact C-N 3.35Å; I945-P947 VanDerWaalsContact C-N 3.29Å; I945-P947 VanDerWaalsContact O-N 3.11Å; I945-F948 CarbonylContact O-C 3.52Å; I945-F948 WeakPolarHBondContact O-CA 3.46Å; I945-F948 WeakPolarHBondContact O-CB 3.46Å; I945-F948 PolarHBondContact O-N 3.23Å; I945-F960 HydrophobicContact CD1-CE2 3.93Å; I945-F960 HydrophobicContact CD1-CZ 4.2Å
946	R	38.7	Very low	34.8	Very low	99 Å²	99	65.1 Å²	65.1	37%	0.374	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-36.8	-178.7	-176	-174.6	-91.8	162.6	-1.9	115	I942 F948 S966	I942-R946 WeakPolarHBondContact O-CB 3.48Å; I942-R946 PolarHBondContact O-N 3.41Å; R946-F948 PolarHBondContact O-N 2.98Å; R946-S966 PolarHBondContact NE-O 2.82Å; R946-S966 PolarHBondContact NH2-OG 3.4Å
947	P	32.8	Very low	35	Very low	83 Å²	83	64.5 Å²	64.5	54%	0.539	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.5	175.2	-19.5	31.3	0	0	0	113.8	E943 I945	E943-P947 WeakPolarHBondContact O-CD 3.47Å; I945-P947 VanDerWaalsContact C-N 3.29Å; I945-P947 VanDerWaalsContact O-N 3.11Å
948	F	33.2	Very low	35.3	Very low	67 Å²	67	61.5 Å²	61.5	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.7	-176.5	-50.1	-77.1	0	0	0	107.9	K909 M944 I945 R946 V950	K909-F948 HydrophobicContact CD-CD1 4.48Å; K909-F948 HydrophobicContact CD-CE1 4.16Å; M944-F948 VanDerWaalsContact O-CD2 3.24Å; M944-F948 WeakPolarHBondContact O-CD2 3.18Å; M944-F948 WeakPolarHBondContact O-CE2 3.42Å; I945-F948 CarbonylContact O-C 3.52Å; I945-F948 WeakPolarHBondContact O-CA 3.46Å; I945-F948 WeakPolarHBondContact O-CB 3.46Å; I945-F948 PolarHBondContact O-N 3.23Å; R946-F948 PolarHBondContact O-N 2.98Å; F948-V950 PolarHBondContact O-N 3.37Å
949	G	31.8	Very low	35.8	Very low	5 Å²	5	64.3 Å²	64.3	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.6	174.8	0	0	0	0	0	110.4	F898 P968	F898-G949 PolarHBondContact N-O 2.87Å; F898-G949 PolarHBondContact O-N 3.43Å; G949-P968 WeakPolarHBondContact CA-O 3.21Å
950	V	38.3	Very low	36	Very low	5 Å²	5	62.8 Å²	62.8	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.1	179.3	-173.3	0	0	0	0	109.7	F897 F948 V952 M961 V967 P968 S969 S970	F897-V950 HydrophobicContact CD1-CG2 4.33Å; F897-V950 HydrophobicContact CE1-CG1 4.47Å; F897-V950 HydrophobicContact CE1-CG2 3.99Å; F948-V950 PolarHBondContact O-N 3.37Å; V950-V952 HydrophobicContact CG1-CG1 4.07Å; V950-M961 HydrophobicContact CB-CE 3.97Å; V950-M961 HydrophobicContact CB-SD 4.44Å; V950-M961 HydrophobicContact CG1-CE 4.36Å; V950-M961 HydrophobicContact CG1-SD 4.18Å; V950-M961 HydrophobicContact CG2-CE 4.38Å; V950-V967 HydrophobicContact CG2-CG1 3.86Å; V950-P968 PolarHBondContact N-O 3.43Å; V950-S969 VanDerWaalsContact O-CA 3.3Å; V950-S969 WeakPolarHBondContact O-CA 3.48Å; V950-S970 PolarHBondContact O-N 3.22Å
951	V	35.1	Very low	36.1	Very low	27 Å²	27	61.3 Å²	61.3	16%	0.164	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.7	171.1	178.4	0	0	0	0	110	F898 S970 L972	F898-V951 HydrophobicContact CD2-CB 4.36Å; F898-V951 HydrophobicContact CD2-CG2 3.5Å; F898-V951 VanDerWaalsContact CD2-CG2 3.5Å; F898-V951 HydrophobicContact CE2-CB 4.12Å; F898-V951 HydrophobicContact CE2-CG2 3.52Å; V951-S970 VanDerWaalsContact CA-O 3.27Å; V951-S970 WeakPolarHBondContact CA-O 3.38Å; V951-L972 HydrophobicContact CG1-CB 3.85Å; V951-L972 HydrophobicContact CG1-CD1 3.84Å; V951-L972 HydrophobicContact CG1-CG 4.48Å
952	V	37.7	Very low	36.2	Very low	17 Å²	17	63.1 Å²	63.1	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	-172.4	-93.8	0	0	0	0	112.2	V950 P958 M961 S970	V950-V952 HydrophobicContact CG1-CG1 4.07Å; V952-P958 HydrophobicContact CG1-CG 4.04Å; V952-M961 HydrophobicContact CG1-SD 3.94Å; V952-M961 HydrophobicContact CG2-SD 4.22Å; V952-S970 PolarHBondContact N-O 3.34Å
953	H	34.8	Very low	36.2	Very low	121 Å²	121	64 Å²	64	56%	0.56	33%	0.33	S	S	*	.			trans	-67	129.1	171.4	-172.2	-89.7	0	0	0	109.4	I955 C956	H953-I955 PolarHBondContact ND1-N 3.03Å; H953-I955 PolarHBondContact O-N 3.36Å; H953-C956 PolarHBondContact O-N 3.28Å
954	P	29.1	Very low	36.1	Very low	67 Å²	67	60.7 Å²	60.7	44%	0.435	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22	-168.5	21.3	-31.6	0	0	0	114.2
955	I	30.2	Very low	36.2	Very low	133 Å²	133	61.2 Å²	61.2	68%	0.682	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-23.5	-176.5	-41.9	-178.8	0	0	0	112.6	H953	H953-I955 PolarHBondContact ND1-N 3.03Å; H953-I955 PolarHBondContact O-N 3.36Å
956	C	33.4	Very low	36.3	Very low	99 Å²	99	62.2 Å²	62.2	67%	0.669	32%	0.32	S	S	*	.			trans	-136.9	72	-176.2	-78.2	0	0	0	0	111.8	H953	H953-C956 PolarHBondContact O-N 3.28Å
957	P	33.8	Very low	36.3	Very low	43 Å²	43	57.9 Å²	57.9	28%	0.279	30%	0.304	S	S	.	.			trans	-67.2	145.6	170.5	28.8	-33	0	0	0	110.6
958	P	38.8	Very low	36.4	Very low	18 Å²	18	56.1 Å²	56.1	12%	0.117	29%	0.293	C	S	.	.			trans	-53.1	143.4	170.7	-23.8	33.1	0	0	0	111.5	F914 D922 V952 F960 M961	F914-P958 HydrophobicContact CZ-CG 4.36Å; D922-P958 WeakPolarHBondContact OD1-CB 3.37Å; V952-P958 HydrophobicContact CG1-CG 4.04Å; P958-F960 VanDerWaalsContact C-N 3.28Å; P958-F960 HydrophobicContact CB-CD1 3.7Å; P958-F960 HydrophobicContact CB-CE1 3.55Å; P958-F960 HydrophobicContact CG-CE1 4.14Å; P958-F960 PolarHBondContact O-N 3.49Å; P958-M961 HydrophobicContact CB-CG 4.43Å; P958-M961 HydrophobicContact CG-SD 4.47Å; P958-M961 WeakPolarHBondContact O-CB 3.23Å; P958-M961 PolarHBondContact O-N 2.89Å
959	R	39.7	Very low	36.5	Very low	94 Å²	94	53.5 Å²	53.5	36%	0.355	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.3	-36.6	-174.8	-67.9	-178.5	-72.6	-177.5	-3.8	112.4	D922 H923 F926 M961 Q962	D922-R959 WeakPolarHBondContact OD1-CA 3.45Å; D922-R959 PolarHBondContact OD1-N 3.08Å; D922-R959 WeakPolarHBondContact OD2-CB 3.43Å; D922-R959 IonicContact OD2-CZ 2.84Å; D922-R959 IonicContact OD2-NE 3.55Å; D922-R959 PolarHBondContact OD2-NE 2.87Å; D922-R959 IonicContact OD2-NH2 3.68Å; H923-R959 PolarHBondContact ND1-NH2 3.39Å; F926-R959 HydrophobicContact CB-CB 4.41Å; F926-R959 HydrophobicContact CD2-CB 3.83Å; F926-R959 HydrophobicContact CE2-CB 4.28Å; F926-R959 HydrophobicContact CG-CB 4.22Å; R959-M961 PolarHBondContact O-N 3.25Å; R959-Q962 VanDerWaalsContact O-CB 3.29Å; R959-Q962 WeakPolarHBondContact O-CB 3.27Å; R959-Q962 PolarHBondContact O-N 3.23Å
960	F	39.9	Very low	36.4	Very low	21 Å²	21	54.1 Å²	54.1	9%	0.092	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-61.7	-31.2	178.3	80.9	-92.9	0	0	0	112.9	D922 I945 P958 Q962 V963 D964	D922-F960 WeakPolarHBondContact OD1-CD1 3.46Å; D922-F960 PolarHBondContact OD1-N 3.47Å; I945-F960 HydrophobicContact CD1-CE2 3.93Å; I945-F960 HydrophobicContact CD1-CZ 4.2Å; P958-F960 VanDerWaalsContact C-N 3.28Å; P958-F960 HydrophobicContact CB-CD1 3.7Å; P958-F960 HydrophobicContact CB-CE1 3.55Å; P958-F960 HydrophobicContact CG-CE1 4.14Å; P958-F960 PolarHBondContact O-N 3.49Å; F960-Q962 PolarHBondContact O-N 3.28Å; F960-V963 PolarHBondContact O-N 2.86Å; F960-V963 VanDerWaalsContact O-N 3.17Å; F960-D964 PolarHBondContact O-N 3.42Å
961	M	39.9	Very low	36	Very low	31 Å²	31	54.6 Å²	54.6	15%	0.153	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71.5	-17.9	176.7	-59.9	-165	92.8	0	0	112.6	V950 V952 P958 R959 V963 V967	V950-M961 HydrophobicContact CB-CE 3.97Å; V950-M961 HydrophobicContact CB-SD 4.44Å; V950-M961 HydrophobicContact CG1-CE 4.36Å; V950-M961 HydrophobicContact CG1-SD 4.18Å; V950-M961 HydrophobicContact CG2-CE 4.38Å; V952-M961 HydrophobicContact CG1-SD 3.94Å; V952-M961 HydrophobicContact CG2-SD 4.22Å; P958-M961 HydrophobicContact CB-CG 4.43Å; P958-M961 HydrophobicContact CG-SD 4.47Å; P958-M961 WeakPolarHBondContact O-CB 3.23Å; P958-M961 PolarHBondContact O-N 2.89Å; R959-M961 PolarHBondContact O-N 3.25Å; M961-V963 PolarHBondContact O-N 3.15Å; M961-V967 HydrophobicContact CE-CB 4.18Å; M961-V967 HydrophobicContact CE-CG1 3.98Å
962	Q	40.7	Very low	35.6	Very low	104 Å²	104	56.1 Å²	56.1	49%	0.486	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-74.1	-18.2	173.8	-56.3	-178.3	0.8	0	0	111.9	R959 F960	R959-Q962 VanDerWaalsContact O-CB 3.29Å; R959-Q962 WeakPolarHBondContact O-CB 3.27Å; R959-Q962 PolarHBondContact O-N 3.23Å; F960-Q962 PolarHBondContact O-N 3.28Å
963	V	38.1	Very low	35.1	Very low	37 Å²	37	61.1 Å²	61.1	22%	0.224	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-29.6	-172.8	-156.9	0	0	0	0	113.4	F926 A929 F960 M961	F926-V963 HydrophobicContact CD2-CG2 3.34Å; F926-V963 HydrophobicContact CE2-CG2 3.44Å; F926-V963 VanDerWaalsContact CE2-CG2 3.44Å; F926-V963 HydrophobicContact CG-CG2 4.49Å; A929-V963 HydrophobicContact CB-CB 4.15Å; A929-V963 HydrophobicContact CB-CG1 3.87Å; F960-V963 PolarHBondContact O-N 2.86Å; F960-V963 VanDerWaalsContact O-N 3.17Å; M961-V963 PolarHBondContact O-N 3.15Å
964	D	39.9	Very low	34.6	Very low	41 Å²	41	60.1 Å²	60.1	22%	0.219	31%	0.313	C	S	.	.			trans	-119.9	114.4	176.3	-165.3	-26.6	0	0	0	112.9	I942 F960 S966	I942-D964 HydrophobicContact CD1-CB 3.9Å; I942-D964 WeakPolarHBondContact CD1-OD2 3.23Å; F960-D964 PolarHBondContact O-N 3.42Å; D964-S966 VanDerWaalsContact C-N 3.26Å; D964-S966 PolarHBondContact O-N 2.84Å; D964-S966 VanDerWaalsContact OD1-CB 3.29Å; D964-S966 WeakPolarHBondContact OD1-CB 3.44Å; D964-S966 PolarHBondContact OD1-N 2.89Å; D964-S966 PolarHBondContact OD1-OG 3.32Å
965	Y	38.2	Very low	34.4	Very low	154 Å²	154	61.3 Å²	61.3	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.5	-174.4	-15.9	-73.1	0	0	0	114.1
966	S	37.9	Very low	34.1	Very low	40 Å²	40	60 Å²	60	28%	0.28	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	0.6	-166.1	73.6	0	0	0	0	115.5	R946 D964	R946-S966 PolarHBondContact NE-O 2.82Å; R946-S966 PolarHBondContact NH2-OG 3.4Å; D964-S966 VanDerWaalsContact C-N 3.26Å; D964-S966 PolarHBondContact O-N 2.84Å; D964-S966 VanDerWaalsContact OD1-CB 3.29Å; D964-S966 WeakPolarHBondContact OD1-CB 3.44Å; D964-S966 PolarHBondContact OD1-N 2.89Å; D964-S966 PolarHBondContact OD1-OG 3.32Å
967	V	38.5	Very low	33.7	Very low	9 Å²	9	59.8 Å²	59.8	6%	0.055	31%	0.309	C	S	.	.	S	Bend	trans	-85.7	120	172.7	-177.1	0	0	0	0	108.9	I942 V950 M961 S969	I942-V967 HydrophobicContact CG2-CG2 3.82Å; V950-V967 HydrophobicContact CG2-CG1 3.86Å; M961-V967 HydrophobicContact CE-CB 4.18Å; M961-V967 HydrophobicContact CE-CG1 3.98Å; V967-S969 PolarHBondContact O-N 3.23Å
968	P	35.8	Very low	33.2	Very low	46 Å²	46	60.7 Å²	60.7	30%	0.299	33%	0.326	S	S	.	.			trans	-59.6	112.9	174.1	-19	30.5	0	0	0	110.1	G949 V950	G949-P968 WeakPolarHBondContact CA-O 3.21Å; V950-P968 PolarHBondContact N-O 3.43Å
969	S	34.9	Very low	33	Very low	11 Å²	11	63.3 Å²	63.3	8%	0.077	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.2	179.6	62.9	0	0	0	0	110.8	V950 V967	V950-S969 VanDerWaalsContact O-CA 3.3Å; V950-S969 WeakPolarHBondContact O-CA 3.48Å; V967-S969 PolarHBondContact O-N 3.23Å
970	S	30.2	Very low	32.6	Very low	19 Å²	19	63.4 Å²	63.4	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.6	167.9	-51.3	0	0	0	0	109	V950 V951 V952	V950-S970 PolarHBondContact O-N 3.22Å; V951-S970 VanDerWaalsContact CA-O 3.27Å; V951-S970 WeakPolarHBondContact CA-O 3.38Å; V952-S970 PolarHBondContact N-O 3.34Å
971	A	28.6	Very low	32.3	Very low	15 Å²	15	67.6 Å²	67.6	12%	0.124	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.9	172.8	0	0	0	0	0	108.2	W973	A971-W973 PolarHBondContact O-N 3.5Å
972	L	28.4	Very low	31.8	Very low	58 Å²	58	70.3 Å²	70.3	30%	0.304	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.9	174	-149.4	95.1	0	0	0	108.3	V951 I974 V988	V951-L972 HydrophobicContact CG1-CB 3.85Å; V951-L972 HydrophobicContact CG1-CD1 3.84Å; V951-L972 HydrophobicContact CG1-CG 4.48Å; L972-I974 HydrophobicContact CD2-CD1 4.36Å; L972-I974 HydrophobicContact CD2-CG1 4.05Å; L972-V988 HydrophobicContact CD1-CG1 3.66Å; L972-V988 HydrophobicContact CD2-CG1 3.83Å; L972-V988 HydrophobicContact CG-CG1 3.77Å
973	W	25.4	Very low	31	Very low	122 Å²	122	67.5 Å²	67.5	46%	0.462	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.3	166.7	-72.6	85.4	0	0	0	108	A971 S989	A971-W973 PolarHBondContact O-N 3.5Å; W973-S989 PolarHBondContact O-N 3.31Å; W973-S989 VanDerWaalsContact O-O 3.13Å; W973-S989 PolarHBondContact O-OG 2.66Å
974	I	26.3	Very low	30.4	Very low	101 Å²	101	71.2 Å²	71.2	52%	0.518	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	88.8	175.3	-55.9	177.9	0	0	0	106.5	L972 T976 T986	L972-I974 HydrophobicContact CD2-CD1 4.36Å; L972-I974 HydrophobicContact CD2-CG1 4.05Å; I974-T976 PolarHBondContact O-N 2.96Å; I974-T986 HydrophobicContact CG2-CG2 3.43Å; I974-T986 VanDerWaalsContact CG2-CG2 3.43Å
975	D	23.1	Very low	29.6	Very low	92 Å²	92	77.1 Å²	77.1	49%	0.492	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.6	171	-86.6	-33.7	0	0	0	109.6	V977	D975-V977 HydrophobicContact CB-CG2 4.27Å; D975-V977 PolarHBondContact O-N 3.12Å; D975-V977 VanDerWaalsContact O-N 3.17Å
976	T	24.7	Very low	28.9	Very low	105 Å²	105	74.4 Å²	74.4	64%	0.644	49%	0.492	S	S	*	.			trans	-86.3	87.6	175.7	-43	0	0	0	0	108	I974 G978	I974-T976 PolarHBondContact O-N 2.96Å; T976-G978 PolarHBondContact O-N 2.93Å
977	V	24.6	Very low	28.2	Very low	94 Å²	94	80.1 Å²	80.1	57%	0.57	51%	0.512	S	S	*	.			trans	-83.9	99.9	179	-163.9	0	0	0	0	108.5	D975 P979	D975-V977 HydrophobicContact CB-CG2 4.27Å; D975-V977 PolarHBondContact O-N 3.12Å; D975-V977 VanDerWaalsContact O-N 3.17Å; V977-P979 VanDerWaalsContact O-CD 3.23Å; V977-P979 WeakPolarHBondContact O-CD 3.26Å
978	G	24.1	Very low	27.6	Very low	63 Å²	63	83.9 Å²	83.9	65%	0.649	54%	0.535	S	S	*	.			trans	-74.5	117.6	178.1	0	0	0	0	0	112.1	T976	T976-G978 PolarHBondContact O-N 2.93Å
979	P	34.3	Very low	27.1	Very low	72 Å²	72	83.5 Å²	83.5	47%	0.468	53%	0.533	S	S	.	.			trans	-83.5	138.4	163.7	3.2	17.6	0	0	0	108.5	V977 S981	V977-P979 VanDerWaalsContact O-CD 3.23Å; V977-P979 WeakPolarHBondContact O-CD 3.26Å; P979-S981 PolarHBondContact O-N 2.95Å
980	G	31.7	Very low	26.7	Very low	96 Å²	96	87.5 Å²	87.5	99%	0.99	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	26.9	-172.6	0	0	0	0	0	117.6
981	S	34	Very low	26.4	Very low	110 Å²	110	92.6 Å²	92.6	77%	0.769	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	30.9	-176.3	65.9	0	0	0	0	115.2	P979 G983	P979-S981 PolarHBondContact O-N 2.95Å; S981-G983 PolarHBondContact O-N 2.89Å
982	G	28.4	Very low	26.2	Very low	87 Å²	87	98.9 Å²	98.9	90%	0.897	61%	0.605	S	S	*	*	S	Bend	trans	80.3	11.7	159.4	0	0	0	0	0	116.9
983	G	24.5	Very low	26.2	Very low	46 Å²	46	99.8 Å²	99.8	47%	0.474	61%	0.609	S	S	.	*			trans	-120.2	125.6	167.3	0	0	0	0	0	110.2	S981	S981-G983 PolarHBondContact O-N 2.89Å
984	C	24.2	Very low	26.3	Very low	115 Å²	115	97.7 Å²	97.7	78%	0.777	61%	0.613	S	S	*	*			trans	-88.7	107.6	172.2	-67.1	0	0	0	0	108.8
985	E	23.9	Very low	26.3	Very low	165 Å²	165	97.9 Å²	97.9	77%	0.771	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-95.8	125.3	161.5	-94.2	-173	159.9	0	0	108.9
986	T	24.1	Very low	26.4	Very low	96 Å²	96	101.4 Å²	101.4	59%	0.589	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-80.5	118.6	173.4	-46.8	0	0	0	0	108.9	I974	I974-T986 HydrophobicContact CG2-CG2 3.43Å; I974-T986 VanDerWaalsContact CG2-CG2 3.43Å
987	K	23.5	Very low	26.6	Very low	161 Å²	161	100.6 Å²	100.6	70%	0.7	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.1	117.1	172.4	-139.9	179.2	-173.6	-179.4	0	108.8	S989	K987-S989 PolarHBondContact O-N 3.04Å
988	V	25.1	Very low	26.6	Very low	88 Å²	88	105 Å²	105	53%	0.533	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.9	114.3	175.5	179.1	0	0	0	0	108.2	L972	L972-V988 HydrophobicContact CD1-CG1 3.66Å; L972-V988 HydrophobicContact CD2-CG1 3.83Å; L972-V988 HydrophobicContact CG-CG1 3.77Å
989	S	25.5	Very low	26.6	Very low	37 Å²	37	103.4 Å²	103.4	26%	0.259	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	113.1	170.1	48.3	0	0	0	0	109.1	W973 K987 E991	W973-S989 PolarHBondContact O-N 3.31Å; W973-S989 VanDerWaalsContact O-O 3.13Å; W973-S989 PolarHBondContact O-OG 2.66Å; K987-S989 PolarHBondContact O-N 3.04Å; S989-E991 PolarHBondContact O-N 3.06Å
990	S	25.2	Very low	26.3	Very low	95 Å²	95	105 Å²	105	66%	0.664	63%	0.63	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	87.8	169.1	66.7	0	0	0	0	108.7
991	E	25.6	Very low	26	Very low	126 Å²	126	107.5 Å²	107.5	59%	0.589	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.2	126.6	166.4	-73.8	-154.8	157.7	0	0	110.3	S989 L993	S989-E991 PolarHBondContact O-N 3.06Å; E991-L993 PolarHBondContact O-N 2.82Å
992	Y	24.6	Very low	25.5	Very low	148 Å²	148	108.8 Å²	108.8	58%	0.58	61%	0.612	S	S	*	*			trans	-76.4	85.2	-176.3	-156.2	-88.6	0	0	0	110.2	W906 S994	W906-Y992 HydrophobicContact CZ2-CE2 4.45Å; Y992-S994 PolarHBondContact O-N 3.5Å
993	L	26.6	Very low	25.4	Very low	76 Å²	76	109.5 Å²	109.5	40%	0.398	59%	0.594	S	S	.	*			trans	-87.6	91.3	175	-120.9	142.7	0	0	0	109.5	E991 I995	E991-L993 PolarHBondContact O-N 2.82Å; L993-I995 PolarHBondContact O-N 3.05Å
994	S	27.3	Very low	25.5	Very low	78 Å²	78	113.5 Å²	113.5	55%	0.545	60%	0.6	S	S	.	*			trans	-65.8	102.6	165.8	166.6	0	0	0	0	108	Y992 K996	Y992-S994 PolarHBondContact O-N 3.5Å; S994-K996 PolarHBondContact O-N 2.99Å
995	I	27.8	Very low	25.6	Very low	105 Å²	105	109.7 Å²	109.7	54%	0.538	58%	0.575	S	S	.	*			trans	-71.2	71.8	174.8	-49.7	175.1	0	0	0	108.5	L993	L993-I995 PolarHBondContact O-N 3.05Å
996	K	25.2	Very low	25.7	Very low	166 Å²	166	105.2 Å²	105.2	72%	0.722	56%	0.559	S	S	*	*			trans	-88.4	117.6	162.5	-105.5	-174.3	174.3	-177.7	0	107	S994 E998 G999	S994-K996 PolarHBondContact O-N 2.99Å; K996-E998 PolarHBondContact O-N 2.82Å; K996-G999 PolarHBondContact O-N 2.84Å; K996-G999 VanDerWaalsContact O-N 3.07Å
997	S	28.9	Very low	25.8	Very low	88 Å²	88	104.8 Å²	104.8	62%	0.615	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	12.9	-166.1	72.8	0	0	0	0	116.8
998	E	25.1	Very low	26	Very low	188 Å²	188	103.7 Å²	103.7	88%	0.879	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7	160.4	-72.7	-172.2	160.4	0	0	111.7	K996	K996-E998 PolarHBondContact O-N 2.82Å
999	G	23.9	Very low	26.1	Very low	29 Å²	29	104.9 Å²	104.9	30%	0.299	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	5.5	-171.6	0	0	0	0	0	118.1	K996 L1001 F1002 I1003	K996-G999 PolarHBondContact O-N 2.84Å; K996-G999 VanDerWaalsContact O-N 3.07Å; G999-L1001 PolarHBondContact O-N 2.84Å; G999-F1002 WeakPolarHBondContact O-CA 3.46Å; G999-F1002 VanDerWaalsContact O-CB 3.31Å; G999-F1002 WeakPolarHBondContact O-CB 2.94Å; G999-F1002 PolarHBondContact O-N 3.36Å; G999-I1003 PolarHBondContact O-N 3.05Å
1000	T	26.9	Very low	26.2	Very low	104 Å²	104	107.4 Å²	107.4	64%	0.638	57%	0.57	S	S	*	*	H	α-helix	trans	-65.4	-24.5	175.8	-20	0	0	0	0	111.8	F1002	T1000-F1002 PolarHBondContact O-N 3.43Å
1001	L	26	Very low	26.3	Very low	150 Å²	150	113.2 Å²	113.2	79%	0.785	58%	0.577	S	S	*	*	H	α-helix	trans	-66.1	-26.3	166.1	-85.8	161	0	0	0	112.6	G999 S1005	G999-L1001 PolarHBondContact O-N 2.84Å; L1001-S1005 PolarHBondContact O-N 3.3Å
1002	F	23.9	Very low	26.4	Very low	137 Å²	137	120.2 Å²	120.2	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-79.3	-33.8	-179.2	-150.6	-95.9	0	0	0	113.2	G999 T1000 H1004 S1005 V1006	G999-F1002 WeakPolarHBondContact O-CA 3.46Å; G999-F1002 VanDerWaalsContact O-CB 3.31Å; G999-F1002 WeakPolarHBondContact O-CB 2.94Å; G999-F1002 PolarHBondContact O-N 3.36Å; T1000-F1002 PolarHBondContact O-N 3.43Å; F1002-H1004 PolarHBondContact O-N 2.98Å; F1002-S1005 VanDerWaalsContact CA-OG 3.24Å; F1002-S1005 WeakPolarHBondContact CA-OG 3.46Å; F1002-S1005 WeakPolarHBondContact CD2-OG 3.43Å; F1002-S1005 PolarHBondContact O-N 2.94Å; F1002-S1005 PolarHBondContact O-OG 3.4Å; F1002-V1006 HydrophobicContact CD1-CG2 3.51Å; F1002-V1006 HydrophobicContact CE1-CG2 3.39Å; F1002-V1006 HydrophobicContact CZ-CG2 4.38Å; F1002-V1006 WeakPolarHBondContact O-CG2 3.37Å; F1002-V1006 PolarHBondContact O-N 3.3Å
1003	I	26	Very low	26.5	Very low	102 Å²	102	118.9 Å²	118.9	52%	0.523	60%	0.599	S	S	.	*	H	α-helix	trans	-58.8	-40.2	173.8	-63.6	176.6	0	0	0	110	G999 I1007	G999-I1003 PolarHBondContact O-N 3.05Å; I1003-I1007 HydrophobicContact CG2-CD1 4.17Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.29Å; I1003-I1007 PolarHBondContact O-N 3.14Å
1004	H	25.6	Very low	26.4	Very low	129 Å²	129	121.1 Å²	121.1	60%	0.597	61%	0.61	S	S	*	*	H	α-helix	trans	-68.7	-36.7	174.1	-114.2	-97.1	0	0	0	113.1	F1002 Q1008	F1002-H1004 PolarHBondContact O-N 2.98Å; H1004-Q1008 PolarHBondContact O-N 3.22Å
1005	S	26.2	Very low	26.4	Very low	36 Å²	36	123.5 Å²	123.5	25%	0.252	61%	0.613	S	S	.	*	H	α-helix	trans	-71.8	-32	177.1	60	0	0	0	0	113.5	L1001 F1002 Q1008 L1009	L1001-S1005 PolarHBondContact O-N 3.3Å; F1002-S1005 VanDerWaalsContact CA-OG 3.24Å; F1002-S1005 WeakPolarHBondContact CA-OG 3.46Å; F1002-S1005 WeakPolarHBondContact CD2-OG 3.43Å; F1002-S1005 PolarHBondContact O-N 2.94Å; F1002-S1005 PolarHBondContact O-OG 3.4Å; S1005-Q1008 PolarHBondContact O-N 3.3Å; S1005-L1009 WeakPolarHBondContact O-CB 3.13Å; S1005-L1009 PolarHBondContact O-N 3.31Å
1006	V	26.8	Very low	26.3	Very low	71 Å²	71	124.6 Å²	124.6	43%	0.43	62%	0.618	S	S	.	*	H	α-helix	trans	-69.9	-41	175.6	176.1	0	0	0	0	110.5	F1002 Q1008 L1009 S1010	F1002-V1006 HydrophobicContact CD1-CG2 3.51Å; F1002-V1006 HydrophobicContact CE1-CG2 3.39Å; F1002-V1006 HydrophobicContact CZ-CG2 4.38Å; F1002-V1006 WeakPolarHBondContact O-CG2 3.37Å; F1002-V1006 PolarHBondContact O-N 3.3Å; V1006-Q1008 VanDerWaalsContact C-N 3.27Å; V1006-Q1008 PolarHBondContact O-N 3.02Å; V1006-L1009 PolarHBondContact O-N 3.45Å; V1006-S1010 PolarHBondContact O-N 3.43Å; V1006-S1010 PolarHBondContact O-OG 3.34Å
1007	I	27	Very low	26.4	Very low	86 Å²	86	122 Å²	122	44%	0.441	61%	0.611	S	S	.	*	H	α-helix	trans	-64.2	-32.3	173.6	-64.9	168.3	0	0	0	111.6	I1003 S1010 R1011	I1003-I1007 HydrophobicContact CG2-CD1 4.17Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.29Å; I1003-I1007 PolarHBondContact O-N 3.14Å; I1007-S1010 PolarHBondContact O-OG 2.91Å; I1007-R1011 WeakPolarHBondContact O-CG 3.49Å
1008	Q	26.5	Very low	26.2	Very low	138 Å²	138	124.3 Å²	124.3	65%	0.645	61%	0.611	S	S	*	*	H	α-helix	trans	-77.9	-32.7	174.1	-78.3	-166.9	-11.4	0	0	113.5	H1004 S1005 V1006 R1011	H1004-Q1008 PolarHBondContact O-N 3.22Å; S1005-Q1008 PolarHBondContact O-N 3.3Å; V1006-Q1008 VanDerWaalsContact C-N 3.27Å; V1006-Q1008 PolarHBondContact O-N 3.02Å; Q1008-R1011 PolarHBondContact O-N 2.86Å
1009	L	27.4	Very low	26.3	Very low	113 Å²	113	119.7 Å²	119.7	59%	0.592	59%	0.592	S	S	*	*	H	α-helix	trans	-74.3	-33.7	177.1	-93.6	154.3	0	0	0	112.2	S1005 V1006 R1011 R1012	S1005-L1009 WeakPolarHBondContact O-CB 3.13Å; S1005-L1009 PolarHBondContact O-N 3.31Å; V1006-L1009 PolarHBondContact O-N 3.45Å; L1009-R1011 PolarHBondContact O-N 2.93Å; L1009-R1012 PolarHBondContact O-N 2.82Å; L1009-R1012 VanDerWaalsContact O-N 3.13Å
1010	S	27.1	Very low	26.5	Very low	90 Å²	90	126.7 Å²	126.7	63%	0.629	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-9.7	173	56.3	0	0	0	0	113.8	V1006 I1007	V1006-S1010 PolarHBondContact O-N 3.43Å; V1006-S1010 PolarHBondContact O-OG 3.34Å; I1007-S1010 PolarHBondContact O-OG 2.91Å
1011	R	28.1	Very low	26.5	Very low	217 Å²	217	128.6 Å²	128.6	82%	0.819	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-0.4	168.9	-73.1	-174.9	178.7	-164.8	0.8	113.6	I1007 Q1008 L1009	I1007-R1011 WeakPolarHBondContact O-CG 3.49Å; Q1008-R1011 PolarHBondContact O-N 2.86Å; L1009-R1011 PolarHBondContact O-N 2.93Å
1012	R	26.9	Very low	26.5	Very low	274 Å²	274	126.6 Å²	126.6	100%	1.034	60%	0.597	S	S	*	*			trans	-104.9	0	165.4	-77.5	-171.6	175.9	-171.6	0.3	109.4	L1009	L1009-R1012 PolarHBondContact O-N 2.82Å; L1009-R1012 VanDerWaalsContact O-N 3.13Å

Retrieved 1,012 of 1,012 residues in 296 ms (Link to these results)

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